I: pbuilder: network access will be disabled during build I: Current time: Mon Sep 12 17:26:34 +14 2022 I: pbuilder-time-stamp: 1662953194 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/buster-reproducible-base.tgz] I: copying local configuration I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [nwchem_6.8.1-5.dsc] I: copying [./nwchem_6.8.1.orig.tar.gz] I: copying [./nwchem_6.8.1-5.debian.tar.xz] I: Extracting source gpgv: unknown type of key resource 'trustedkeys.kbx' gpgv: keyblock resource '/root/.gnupg/trustedkeys.kbx': General error gpgv: Signature made Tue Mar 26 02:29:27 2019 +14 gpgv: using RSA key F1F007320A035541F0A663CA578A0494D1C646D1 gpgv: issuer "tillea@rki.de" gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./nwchem_6.8.1-5.dsc dpkg-source: info: extracting nwchem in nwchem-6.8.1 dpkg-source: info: unpacking nwchem_6.8.1.orig.tar.gz dpkg-source: info: unpacking nwchem_6.8.1-5.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying 01_hardcode_basis-sets_location.patch dpkg-source: info: applying 02_makefile_flags.patch dpkg-source: info: applying 04_show_testsuite_diff_output.patch dpkg-source: info: applying 08_lapack_constants_headers.patch dpkg-source: info: applying 13_armhf_noopt.patch dpkg-source: info: applying 15_testsuite_print_output_on_failure.patch I: using fakeroot in build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/14073/tmp/hooks/D01_modify_environment starting debug: Running on ionos5-amd64. I: Changing host+domainname to test build reproducibility I: Adding a custom variable just for the fun of it... I: Changing /bin/sh to bash Removing 'diversion of /bin/sh to /bin/sh.distrib by dash' Adding 'diversion of /bin/sh to /bin/sh.distrib by bash' Removing 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by dash' Adding 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by bash' I: Setting pbuilder2's login shell to /bin/bash I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other I: user script /srv/workspace/pbuilder/14073/tmp/hooks/D01_modify_environment finished I: user script /srv/workspace/pbuilder/14073/tmp/hooks/D02_print_environment starting I: set BASH=/bin/sh BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath BASH_ALIASES=() BASH_ARGC=() BASH_ARGV=() BASH_CMDS=() BASH_LINENO=([0]="12" [1]="0") BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") BASH_VERSINFO=([0]="5" [1]="0" [2]="3" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") BASH_VERSION='5.0.3(1)-release' BUILDDIR=/build BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' BUILDUSERNAME=pbuilder2 BUILD_ARCH=amd64 DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=16' DIRSTACK=() DISTRIBUTION= EUID=0 FUNCNAME=([0]="Echo" [1]="main") GROUPS=() HOME=/root HOSTNAME=i-capture-the-hostname HOSTTYPE=x86_64 HOST_ARCH=amd64 IFS=' ' INVOCATION_ID=3b611a4df7e5470da9a37b84a0999fcb LANG=C LANGUAGE=et_EE:et LC_ALL=C MACHTYPE=x86_64-pc-linux-gnu MAIL=/var/mail/root OPTERR=1 OPTIND=1 OSTYPE=linux-gnu PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path PBCURRENTCOMMANDLINEOPERATION=build PBUILDER_OPERATION=build PBUILDER_PKGDATADIR=/usr/share/pbuilder PBUILDER_PKGLIBDIR=/usr/lib/pbuilder PBUILDER_SYSCONFDIR=/etc PIPESTATUS=([0]="0") POSIXLY_CORRECT=y PPID=14073 PS4='+ ' PWD=/ SHELL=/bin/bash SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix SHLVL=3 SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.0jsg22DOOW/pbuilderrc_k5c2 --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.0jsg22DOOW/b2 --logfile b2/build.log nwchem_6.8.1-5.dsc' SUDO_GID=110 SUDO_UID=105 SUDO_USER=jenkins TERM=unknown TZ=/usr/share/zoneinfo/Etc/GMT-14 UID=0 USER=root _='I: set' http_proxy=http://85.184.249.68:3128 I: uname -a Linux i-capture-the-hostname 5.10.0-0.bpo.8-amd64 #1 SMP Debian 5.10.46-2~bpo10+1 (2021-07-22) x86_64 GNU/Linux I: ls -l /bin total 5116 -rwxr-xr-x 1 root root 1168776 Apr 18 2019 bash -rwxr-xr-x 3 root root 38984 Jul 11 2019 bunzip2 -rwxr-xr-x 3 root root 38984 Jul 11 2019 bzcat lrwxrwxrwx 1 root root 6 Jul 11 2019 bzcmp -> bzdiff -rwxr-xr-x 1 root root 2227 Jul 11 2019 bzdiff lrwxrwxrwx 1 root root 6 Jul 11 2019 bzegrep -> bzgrep -rwxr-xr-x 1 root root 4877 Jun 25 2019 bzexe lrwxrwxrwx 1 root root 6 Jul 11 2019 bzfgrep -> bzgrep -rwxr-xr-x 1 root root 3641 Jul 11 2019 bzgrep -rwxr-xr-x 3 root root 38984 Jul 11 2019 bzip2 -rwxr-xr-x 1 root root 14328 Jul 11 2019 bzip2recover lrwxrwxrwx 1 root root 6 Jul 11 2019 bzless -> bzmore -rwxr-xr-x 1 root root 1297 Jul 11 2019 bzmore -rwxr-xr-x 1 root root 43744 Mar 1 2019 cat -rwxr-xr-x 1 root root 64320 Mar 1 2019 chgrp -rwxr-xr-x 1 root root 64288 Mar 1 2019 chmod -rwxr-xr-x 1 root root 72512 Mar 1 2019 chown -rwxr-xr-x 1 root root 146880 Mar 1 2019 cp -rwxr-xr-x 1 root root 121464 Jan 18 2019 dash -rwxr-xr-x 1 root root 109408 Mar 1 2019 date -rwxr-xr-x 1 root root 76712 Mar 1 2019 dd -rwxr-xr-x 1 root root 93744 Mar 1 2019 df -rwxr-xr-x 1 root root 138856 Mar 1 2019 dir -rwxr-xr-x 1 root root 84288 Jan 10 2019 dmesg lrwxrwxrwx 1 root root 8 Sep 27 2018 dnsdomainname -> hostname lrwxrwxrwx 1 root root 8 Sep 27 2018 domainname -> hostname -rwxr-xr-x 1 root root 39520 Mar 1 2019 echo -rwxr-xr-x 1 root root 28 Jan 8 2019 egrep -rwxr-xr-x 1 root root 35424 Mar 1 2019 false -rwxr-xr-x 1 root root 28 Jan 8 2019 fgrep -rwxr-xr-x 1 root root 68880 Jan 10 2019 findmnt -rwsr-xr-x 1 root root 34896 Apr 23 2020 fusermount -rwxr-xr-x 1 root root 198976 Jan 8 2019 grep -rwxr-xr-x 2 root root 2345 Jan 6 2019 gunzip -rwxr-xr-x 1 root root 6375 Jan 6 2019 gzexe -rwxr-xr-x 1 root root 98048 Jan 6 2019 gzip -rwxr-xr-x 1 root root 26696 Sep 27 2018 hostname -rwxr-xr-x 1 root root 68552 Mar 1 2019 ln -rwxr-xr-x 1 root root 56760 Jul 27 2018 login -rwxr-xr-x 1 root root 138856 Mar 1 2019 ls -rwxr-xr-x 1 root root 108624 Jan 10 2019 lsblk -rwxr-xr-x 1 root root 89088 Mar 1 2019 mkdir -rwxr-xr-x 1 root root 68544 Mar 1 2019 mknod -rwxr-xr-x 1 root root 43808 Mar 1 2019 mktemp -rwxr-xr-x 1 root root 43008 Jan 10 2019 more -rwsr-xr-x 1 root root 51280 Jan 10 2019 mount -rwxr-xr-x 1 root root 14408 Jan 10 2019 mountpoint -rwxr-xr-x 1 root root 138728 Mar 1 2019 mv lrwxrwxrwx 1 root root 8 Sep 27 2018 nisdomainname -> hostname lrwxrwxrwx 1 root root 14 Feb 15 2019 pidof -> /sbin/killall5 -rwxr-xr-x 1 root root 39616 Mar 1 2019 pwd lrwxrwxrwx 1 root root 4 Apr 18 2019 rbash -> bash -rwxr-xr-x 1 root root 47776 Mar 1 2019 readlink -rwxr-xr-x 1 root root 68416 Mar 1 2019 rm -rwxr-xr-x 1 root root 47776 Mar 1 2019 rmdir -rwxr-xr-x 1 root root 23312 Jan 22 2019 run-parts -rwxr-xr-x 1 root root 122224 Dec 23 2018 sed lrwxrwxrwx 1 root root 4 Sep 12 17:26 sh -> bash lrwxrwxrwx 1 root root 4 Sep 10 04:46 sh.distrib -> dash -rwxr-xr-x 1 root root 39552 Mar 1 2019 sleep -rwxr-xr-x 1 root root 80672 Mar 1 2019 stty -rwsr-xr-x 1 root root 63568 Jan 10 2019 su -rwxr-xr-x 1 root root 35488 Mar 1 2019 sync -rwxr-xr-x 1 root root 445560 Apr 24 2019 tar -rwxr-xr-x 1 root root 14440 Jan 22 2019 tempfile -rwxr-xr-x 1 root root 97152 Mar 1 2019 touch -rwxr-xr-x 1 root root 35424 Mar 1 2019 true -rwxr-xr-x 1 root root 14328 Apr 23 2020 ulockmgr_server -rwsr-xr-x 1 root root 34888 Jan 10 2019 umount -rwxr-xr-x 1 root root 39584 Mar 1 2019 uname -rwxr-xr-x 2 root root 2345 Jan 6 2019 uncompress -rwxr-xr-x 1 root root 138856 Mar 1 2019 vdir -rwxr-xr-x 1 root root 34896 Jan 10 2019 wdctl -rwxr-xr-x 1 root root 946 Jan 22 2019 which lrwxrwxrwx 1 root root 8 Sep 27 2018 ypdomainname -> hostname -rwxr-xr-x 1 root root 1983 Jan 6 2019 zcat -rwxr-xr-x 1 root root 1677 Jan 6 2019 zcmp -rwxr-xr-x 1 root root 5879 Jan 6 2019 zdiff -rwxr-xr-x 1 root root 29 Jan 6 2019 zegrep -rwxr-xr-x 1 root root 29 Jan 6 2019 zfgrep -rwxr-xr-x 1 root root 2080 Jan 6 2019 zforce -rwxr-xr-x 1 root root 7584 Jan 6 2019 zgrep -rwxr-xr-x 1 root root 2205 Jan 6 2019 zless -rwxr-xr-x 1 root root 1841 Jan 6 2019 zmore -rwxr-xr-x 1 root root 4552 Jan 6 2019 znew I: user script /srv/workspace/pbuilder/14073/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: amd64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: autotools-dev (>> 20100122.1~), csh, debhelper (>= 7.0.50~), gfortran, libarmci-mpi-dev, libblas-dev, libglobalarrays-dev (>= 5.7-4), liblapack-dev, libscalapack-mpi-dev (>= 2), mpi-default-bin, mpi-default-dev, openssh-client, pkg-config, python-dev (>= 2.6.6-3~), zlib1g-dev dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19195 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on autotools-dev (>> 20100122.1~); however: Package autotools-dev is not installed. pbuilder-satisfydepends-dummy depends on csh; however: Package csh is not installed. pbuilder-satisfydepends-dummy depends on debhelper (>= 7.0.50~); however: Package debhelper is not installed. pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on libarmci-mpi-dev; however: Package libarmci-mpi-dev is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libglobalarrays-dev (>= 5.7-4); however: Package libglobalarrays-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on libscalapack-mpi-dev (>= 2); however: Package libscalapack-mpi-dev is not installed. pbuilder-satisfydepends-dummy depends on mpi-default-bin; however: Package mpi-default-bin is not installed. pbuilder-satisfydepends-dummy depends on mpi-default-dev; however: Package mpi-default-dev is not installed. pbuilder-satisfydepends-dummy depends on openssh-client; however: Package openssh-client is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on python-dev (>= 2.6.6-3~); however: Package python-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bsdmainutils{a} csh{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} dwz{a} file{a} gettext{a} gettext-base{a} gfortran{a} gfortran-8{a} groff-base{a} ibverbs-providers{a} intltool-debian{a} libarchive-zip-perl{a} libarmci-mpi-dev{a} libblas-dev{a} libblas3{a} libbsd0{a} libcroco3{a} libedit2{a} libelf1{a} libevent-2.1-6{a} libevent-core-2.1-6{a} libevent-pthreads-2.1-6{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libfile-stripnondeterminism-perl{a} libgfortran-8-dev{a} libgfortran5{a} libglib2.0-0{a} libglobalarrays-dev{a} libgssapi-krb5-2{a} libhwloc-dev{a} libhwloc-plugins{a} libhwloc5{a} libibverbs-dev{a} libibverbs1{a} libicu63{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} libltdl-dev{a} libltdl7{a} libmagic-mgc{a} libmagic1{a} libncurses6{a} libnl-3-200{a} libnl-3-dev{a} libnl-route-3-200{a} libnl-route-3-dev{a} libnuma-dev{a} libnuma1{a} libopenmpi-dev{a} libopenmpi3{a} libpciaccess0{a} libpipeline1{a} libpmix2{a} libpsm-infinipath1{a} libpsm2-2{a} libpython-dev{a} libpython-stdlib{a} libpython2-dev{a} libpython2-stdlib{a} libpython2.7{a} libpython2.7-dev{a} libpython2.7-minimal{a} libpython2.7-stdlib{a} librdmacm1{a} libreadline7{a} libscalapack-mpi-dev{a} libscalapack-openmpi-dev{a} libscalapack-openmpi2.0{a} libsigsegv2{a} libssl1.1{a} libtool{a} libuchardet0{a} libxml2{a} m4{a} man-db{a} mime-support{a} mpi-default-bin{a} mpi-default-dev{a} ocl-icd-libopencl1{a} openmpi-bin{a} openmpi-common{a} openssh-client{a} pkg-config{a} po-debconf{a} python{a} python-dev{a} python-minimal{a} python2{a} python2-dev{a} python2-minimal{a} python2.7{a} python2.7-dev{a} python2.7-minimal{a} readline-common{a} sensible-utils{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: curl krb5-locales libarchive-cpio-perl libcoarrays-openmpi-dev libglib2.0-data libgpm2 libmail-sendmail-perl lynx shared-mime-info wget xauth xdg-user-dirs 0 packages upgraded, 109 newly installed, 0 to remove and 0 not upgraded. Need to get 84.8 MB of archives. After unpacking 250 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian buster/main amd64 libbsd0 amd64 0.9.1-2+deb10u1 [99.5 kB] Get: 2 http://deb.debian.org/debian buster/main amd64 bsdmainutils amd64 11.1.2+b1 [191 kB] Get: 3 http://deb.debian.org/debian buster/main amd64 libuchardet0 amd64 0.0.6-3 [64.9 kB] Get: 4 http://deb.debian.org/debian buster/main amd64 groff-base amd64 1.22.4-3+deb10u1 [916 kB] Get: 5 http://deb.debian.org/debian buster/main amd64 libpipeline1 amd64 1.5.1-2 [31.2 kB] Get: 6 http://deb.debian.org/debian buster/main amd64 man-db amd64 2.8.5-2 [1274 kB] Get: 7 http://deb.debian.org/debian buster/main amd64 libpython2.7-minimal amd64 2.7.16-2+deb10u1 [395 kB] Get: 8 http://deb.debian.org/debian buster/main amd64 python2.7-minimal amd64 2.7.16-2+deb10u1 [1369 kB] Get: 9 http://deb.debian.org/debian buster/main amd64 python2-minimal amd64 2.7.16-1 [41.4 kB] Get: 10 http://deb.debian.org/debian buster/main amd64 python-minimal amd64 2.7.16-1 [21.0 kB] Get: 11 http://deb.debian.org/debian buster/main amd64 libssl1.1 amd64 1.1.1d-0+deb10u6 [1539 kB] Get: 12 http://deb.debian.org/debian buster/main amd64 mime-support all 3.62 [37.2 kB] Get: 13 http://deb.debian.org/debian buster/main amd64 libexpat1 amd64 2.2.6-2+deb10u1 [106 kB] Get: 14 http://deb.debian.org/debian buster/main amd64 readline-common all 7.0-5 [70.6 kB] Get: 15 http://deb.debian.org/debian buster/main amd64 libreadline7 amd64 7.0-5 [151 kB] Get: 16 http://deb.debian.org/debian buster/main amd64 libpython2.7-stdlib amd64 2.7.16-2+deb10u1 [1912 kB] Get: 17 http://deb.debian.org/debian buster/main amd64 python2.7 amd64 2.7.16-2+deb10u1 [305 kB] Get: 18 http://deb.debian.org/debian buster/main amd64 libpython2-stdlib amd64 2.7.16-1 [20.8 kB] Get: 19 http://deb.debian.org/debian buster/main amd64 libpython-stdlib amd64 2.7.16-1 [20.8 kB] Get: 20 http://deb.debian.org/debian buster/main amd64 python2 amd64 2.7.16-1 [41.6 kB] Get: 21 http://deb.debian.org/debian buster/main amd64 python amd64 2.7.16-1 [22.8 kB] Get: 22 http://deb.debian.org/debian buster/main amd64 sensible-utils all 0.0.12 [15.8 kB] Get: 23 http://deb.debian.org/debian buster/main amd64 libmagic-mgc amd64 1:5.35-4+deb10u2 [242 kB] Get: 24 http://deb.debian.org/debian buster/main amd64 libmagic1 amd64 1:5.35-4+deb10u2 [118 kB] Get: 25 http://deb.debian.org/debian buster/main amd64 file amd64 1:5.35-4+deb10u2 [66.4 kB] Get: 26 http://deb.debian.org/debian buster/main amd64 gettext-base amd64 0.19.8.1-9 [123 kB] Get: 27 http://deb.debian.org/debian buster/main amd64 libedit2 amd64 3.1-20181209-1 [94.0 kB] Get: 28 http://deb.debian.org/debian buster/main amd64 libkeyutils1 amd64 1.6-6 [15.0 kB] Get: 29 http://deb.debian.org/debian buster/main amd64 libkrb5support0 amd64 1.17-3+deb10u1 [65.8 kB] Get: 30 http://deb.debian.org/debian buster/main amd64 libk5crypto3 amd64 1.17-3+deb10u1 [122 kB] Get: 31 http://deb.debian.org/debian buster/main amd64 libkrb5-3 amd64 1.17-3+deb10u1 [369 kB] Get: 32 http://deb.debian.org/debian buster/main amd64 libgssapi-krb5-2 amd64 1.17-3+deb10u1 [158 kB] Get: 33 http://deb.debian.org/debian buster/main amd64 openssh-client amd64 1:7.9p1-10+deb10u2 [782 kB] Get: 34 http://deb.debian.org/debian buster/main amd64 libsigsegv2 amd64 2.12-2 [32.8 kB] Get: 35 http://deb.debian.org/debian buster/main amd64 m4 amd64 1.4.18-2 [203 kB] Get: 36 http://deb.debian.org/debian buster/main amd64 autoconf all 2.69-11 [341 kB] Get: 37 http://deb.debian.org/debian buster/main amd64 autotools-dev all 20180224.1 [77.0 kB] Get: 38 http://deb.debian.org/debian buster/main amd64 automake all 1:1.16.1-4 [771 kB] Get: 39 http://deb.debian.org/debian buster/main amd64 autopoint all 0.19.8.1-9 [434 kB] Get: 40 http://deb.debian.org/debian buster/main amd64 csh amd64 20110502-4+deb10u1 [241 kB] Get: 41 http://deb.debian.org/debian buster/main amd64 libtool all 2.4.6-9 [547 kB] Get: 42 http://deb.debian.org/debian buster/main amd64 dh-autoreconf all 19 [16.9 kB] Get: 43 http://deb.debian.org/debian buster/main amd64 libarchive-zip-perl all 1.64-1 [96.8 kB] Get: 44 http://deb.debian.org/debian buster/main amd64 libfile-stripnondeterminism-perl all 1.1.2-1 [19.8 kB] Get: 45 http://deb.debian.org/debian buster/main amd64 dh-strip-nondeterminism all 1.1.2-1 [13.0 kB] Get: 46 http://deb.debian.org/debian buster/main amd64 libelf1 amd64 0.176-1.1 [161 kB] Get: 47 http://deb.debian.org/debian buster/main amd64 dwz amd64 0.12-3 [78.0 kB] Get: 48 http://deb.debian.org/debian buster/main amd64 libglib2.0-0 amd64 2.58.3-2+deb10u3 [1259 kB] Get: 49 http://deb.debian.org/debian buster/main amd64 libicu63 amd64 63.1-6+deb10u1 [8300 kB] Get: 50 http://deb.debian.org/debian buster/main amd64 libxml2 amd64 2.9.4+dfsg1-7+deb10u2 [689 kB] Get: 51 http://deb.debian.org/debian buster/main amd64 libcroco3 amd64 0.6.12-3 [145 kB] Get: 52 http://deb.debian.org/debian buster/main amd64 libncurses6 amd64 6.1+20181013-2+deb10u2 [102 kB] Get: 53 http://deb.debian.org/debian buster/main amd64 gettext amd64 0.19.8.1-9 [1303 kB] Get: 54 http://deb.debian.org/debian buster/main amd64 intltool-debian all 0.35.0+20060710.5 [26.8 kB] Get: 55 http://deb.debian.org/debian buster/main amd64 po-debconf all 1.0.21 [248 kB] Get: 56 http://deb.debian.org/debian buster/main amd64 debhelper all 12.1.1 [1016 kB] Get: 57 http://deb.debian.org/debian buster/main amd64 libgfortran5 amd64 8.3.0-6 [581 kB] Get: 58 http://deb.debian.org/debian buster/main amd64 libgfortran-8-dev amd64 8.3.0-6 [616 kB] Get: 59 http://deb.debian.org/debian buster/main amd64 gfortran-8 amd64 8.3.0-6 [9375 kB] Get: 60 http://deb.debian.org/debian buster/main amd64 gfortran amd64 4:8.3.0-1 [1432 B] Get: 61 http://deb.debian.org/debian buster/main amd64 libnl-3-200 amd64 3.4.0-1 [63.0 kB] Get: 62 http://deb.debian.org/debian buster/main amd64 libnl-route-3-200 amd64 3.4.0-1 [162 kB] Get: 63 http://deb.debian.org/debian buster/main amd64 libibverbs1 amd64 22.1-1 [51.2 kB] Get: 64 http://deb.debian.org/debian buster/main amd64 ibverbs-providers amd64 22.1-1 [187 kB] Get: 65 http://deb.debian.org/debian buster/main amd64 libarmci-mpi-dev amd64 0.0~git20180917-2 [47.3 kB] Get: 66 http://deb.debian.org/debian buster/main amd64 libblas3 amd64 3.8.0-2 [148 kB] Get: 67 http://deb.debian.org/debian buster/main amd64 libblas-dev amd64 3.8.0-2 [154 kB] Get: 68 http://deb.debian.org/debian buster/main amd64 libevent-2.1-6 amd64 2.1.8-stable-4 [177 kB] Get: 69 http://deb.debian.org/debian buster/main amd64 libevent-core-2.1-6 amd64 2.1.8-stable-4 [129 kB] Get: 70 http://deb.debian.org/debian buster/main amd64 libevent-pthreads-2.1-6 amd64 2.1.8-stable-4 [47.9 kB] Get: 71 http://deb.debian.org/debian buster/main amd64 libexpat1-dev amd64 2.2.6-2+deb10u1 [153 kB] Get: 72 http://deb.debian.org/debian buster/main amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6 [168 kB] Get: 73 http://deb.debian.org/debian buster/main amd64 libnuma1 amd64 2.0.12-1 [26.2 kB] Get: 74 http://deb.debian.org/debian buster/main amd64 libpsm2-2 amd64 11.2.78-1 [177 kB] Get: 75 http://deb.debian.org/debian buster/main amd64 librdmacm1 amd64 22.1-1 [65.3 kB] Get: 76 http://deb.debian.org/debian buster/main amd64 libfabric1 amd64 1.6.2-3 [396 kB] Get: 77 http://deb.debian.org/debian buster/main amd64 libglobalarrays-dev amd64 5.7-4 [474 kB] Get: 78 http://deb.debian.org/debian buster/main amd64 libltdl7 amd64 2.4.6-9 [390 kB] Get: 79 http://deb.debian.org/debian buster/main amd64 libhwloc5 amd64 1.11.12-3 [111 kB] Get: 80 http://deb.debian.org/debian buster/main amd64 libnuma-dev amd64 2.0.12-1 [39.2 kB] Get: 81 http://deb.debian.org/debian buster/main amd64 libltdl-dev amd64 2.4.6-9 [162 kB] Get: 82 http://deb.debian.org/debian buster/main amd64 libhwloc-dev amd64 1.11.12-3 [175 kB] Get: 83 http://deb.debian.org/debian buster/main amd64 libpciaccess0 amd64 0.14-1 [53.5 kB] Get: 84 http://deb.debian.org/debian buster/main amd64 ocl-icd-libopencl1 amd64 2.2.12-2 [37.5 kB] Get: 85 http://deb.debian.org/debian buster/main amd64 libhwloc-plugins amd64 1.11.12-3 [17.4 kB] Get: 86 http://deb.debian.org/debian buster/main amd64 libnl-3-dev amd64 3.4.0-1 [102 kB] Get: 87 http://deb.debian.org/debian buster/main amd64 libnl-route-3-dev amd64 3.4.0-1 [177 kB] Get: 88 http://deb.debian.org/debian buster/main amd64 libibverbs-dev amd64 22.1-1 [362 kB] Get: 89 http://deb.debian.org/debian buster/main amd64 liblapack3 amd64 3.8.0-2 [2110 kB] Get: 90 http://deb.debian.org/debian buster/main amd64 liblapack-dev amd64 3.8.0-2 [2140 kB] Get: 91 http://deb.debian.org/debian buster/main amd64 libpmix2 amd64 3.1.2-3 [498 kB] Get: 92 http://deb.debian.org/debian buster/main amd64 libopenmpi3 amd64 3.1.3-11 [2191 kB] Get: 93 http://deb.debian.org/debian buster/main amd64 openmpi-common all 3.1.3-11 [165 kB] Get: 94 http://deb.debian.org/debian buster/main amd64 openmpi-bin amd64 3.1.3-11 [200 kB] Get: 95 http://deb.debian.org/debian buster/main amd64 libopenmpi-dev amd64 3.1.3-11 [974 kB] Get: 96 http://deb.debian.org/debian buster/main amd64 libpython2.7 amd64 2.7.16-2+deb10u1 [1036 kB] Get: 97 http://deb.debian.org/debian buster/main amd64 libpython2.7-dev amd64 2.7.16-2+deb10u1 [31.6 MB] Get: 98 http://deb.debian.org/debian buster/main amd64 libpython2-dev amd64 2.7.16-1 [20.9 kB] Get: 99 http://deb.debian.org/debian buster/main amd64 libpython-dev amd64 2.7.16-1 [20.9 kB] Get: 100 http://deb.debian.org/debian buster/main amd64 mpi-default-bin amd64 1.13 [4672 B] Get: 101 http://deb.debian.org/debian buster/main amd64 libscalapack-openmpi2.0 amd64 2.0.2-7+b2 [1467 kB] Get: 102 http://deb.debian.org/debian buster/main amd64 libscalapack-openmpi-dev amd64 2.0.2-7+b2 [12.9 kB] Get: 103 http://deb.debian.org/debian buster/main amd64 mpi-default-dev amd64 1.13 [5476 B] Get: 104 http://deb.debian.org/debian buster/main amd64 libscalapack-mpi-dev amd64 2.0.2-7+b2 [8884 B] Get: 105 http://deb.debian.org/debian buster/main amd64 pkg-config amd64 0.29-6 [63.5 kB] Get: 106 http://deb.debian.org/debian buster/main amd64 python2.7-dev amd64 2.7.16-2+deb10u1 [294 kB] Get: 107 http://deb.debian.org/debian buster/main amd64 python2-dev amd64 2.7.16-1 [1212 B] Get: 108 http://deb.debian.org/debian buster/main amd64 python-dev amd64 2.7.16-1 [1192 B] Get: 109 http://deb.debian.org/debian buster/main amd64 zlib1g-dev amd64 1:1.2.11.dfsg-1 [214 kB] Fetched 84.8 MB in 1s (74.5 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libbsd0: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 ... 19195 files and directories currently installed.) Preparing to unpack .../00-libbsd0_0.9.1-2+deb10u1_amd64.deb ... Unpacking libbsd0:amd64 (0.9.1-2+deb10u1) ... Selecting previously unselected package bsdmainutils. Preparing to unpack .../01-bsdmainutils_11.1.2+b1_amd64.deb ... Unpacking bsdmainutils (11.1.2+b1) ... Selecting previously unselected package libuchardet0:amd64. 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Setting up python2.7-minimal (2.7.16-2+deb10u1) ... Setting up python2-minimal (2.7.16-1) ... Selecting previously unselected package python2. (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 ... 20658 files and directories currently installed.) Preparing to unpack .../python2_2.7.16-1_amd64.deb ... Unpacking python2 (2.7.16-1) ... Setting up python-minimal (2.7.16-1) ... Selecting previously unselected package python. (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 ... 20691 files and directories currently installed.) Preparing to unpack .../00-python_2.7.16-1_amd64.deb ... Unpacking python (2.7.16-1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../01-sensible-utils_0.0.12_all.deb ... Unpacking sensible-utils (0.0.12) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../02-libmagic-mgc_1%3a5.35-4+deb10u2_amd64.deb ... Unpacking libmagic-mgc (1:5.35-4+deb10u2) ... Selecting previously unselected package libmagic1:amd64. Preparing to unpack .../03-libmagic1_1%3a5.35-4+deb10u2_amd64.deb ... Unpacking libmagic1:amd64 (1:5.35-4+deb10u2) ... Selecting previously unselected package file. Preparing to unpack .../04-file_1%3a5.35-4+deb10u2_amd64.deb ... Unpacking file (1:5.35-4+deb10u2) ... Selecting previously unselected package gettext-base. Preparing to unpack .../05-gettext-base_0.19.8.1-9_amd64.deb ... Unpacking gettext-base (0.19.8.1-9) ... Selecting previously unselected package libedit2:amd64. Preparing to unpack .../06-libedit2_3.1-20181209-1_amd64.deb ... Unpacking libedit2:amd64 (3.1-20181209-1) ... Selecting previously unselected package libkeyutils1:amd64. Preparing to unpack .../07-libkeyutils1_1.6-6_amd64.deb ... Unpacking libkeyutils1:amd64 (1.6-6) ... Selecting previously unselected package libkrb5support0:amd64. Preparing to unpack .../08-libkrb5support0_1.17-3+deb10u1_amd64.deb ... Unpacking libkrb5support0:amd64 (1.17-3+deb10u1) ... Selecting previously unselected package libk5crypto3:amd64. Preparing to unpack .../09-libk5crypto3_1.17-3+deb10u1_amd64.deb ... Unpacking libk5crypto3:amd64 (1.17-3+deb10u1) ... Selecting previously unselected package libkrb5-3:amd64. Preparing to unpack .../10-libkrb5-3_1.17-3+deb10u1_amd64.deb ... Unpacking libkrb5-3:amd64 (1.17-3+deb10u1) ... Selecting previously unselected package libgssapi-krb5-2:amd64. Preparing to unpack .../11-libgssapi-krb5-2_1.17-3+deb10u1_amd64.deb ... Unpacking libgssapi-krb5-2:amd64 (1.17-3+deb10u1) ... Selecting previously unselected package openssh-client. Preparing to unpack .../12-openssh-client_1%3a7.9p1-10+deb10u2_amd64.deb ... Unpacking openssh-client (1:7.9p1-10+deb10u2) ... Selecting previously unselected package libsigsegv2:amd64. Preparing to unpack .../13-libsigsegv2_2.12-2_amd64.deb ... Unpacking libsigsegv2:amd64 (2.12-2) ... Selecting previously unselected package m4. 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Selecting previously unselected package libglib2.0-0:amd64. Preparing to unpack .../27-libglib2.0-0_2.58.3-2+deb10u3_amd64.deb ... Unpacking libglib2.0-0:amd64 (2.58.3-2+deb10u3) ... Selecting previously unselected package libicu63:amd64. Preparing to unpack .../28-libicu63_63.1-6+deb10u1_amd64.deb ... Unpacking libicu63:amd64 (63.1-6+deb10u1) ... Selecting previously unselected package libxml2:amd64. Preparing to unpack .../29-libxml2_2.9.4+dfsg1-7+deb10u2_amd64.deb ... Unpacking libxml2:amd64 (2.9.4+dfsg1-7+deb10u2) ... Selecting previously unselected package libcroco3:amd64. Preparing to unpack .../30-libcroco3_0.6.12-3_amd64.deb ... Unpacking libcroco3:amd64 (0.6.12-3) ... Selecting previously unselected package libncurses6:amd64. Preparing to unpack .../31-libncurses6_6.1+20181013-2+deb10u2_amd64.deb ... Unpacking libncurses6:amd64 (6.1+20181013-2+deb10u2) ... Selecting previously unselected package gettext. Preparing to unpack .../32-gettext_0.19.8.1-9_amd64.deb ... Unpacking gettext (0.19.8.1-9) ... Selecting previously unselected package intltool-debian. Preparing to unpack .../33-intltool-debian_0.35.0+20060710.5_all.deb ... Unpacking intltool-debian (0.35.0+20060710.5) ... Selecting previously unselected package po-debconf. Preparing to unpack .../34-po-debconf_1.0.21_all.deb ... Unpacking po-debconf (1.0.21) ... Selecting previously unselected package debhelper. Preparing to unpack .../35-debhelper_12.1.1_all.deb ... Unpacking debhelper (12.1.1) ... Selecting previously unselected package libgfortran5:amd64. Preparing to unpack .../36-libgfortran5_8.3.0-6_amd64.deb ... Unpacking libgfortran5:amd64 (8.3.0-6) ... Selecting previously unselected package libgfortran-8-dev:amd64. Preparing to unpack .../37-libgfortran-8-dev_8.3.0-6_amd64.deb ... Unpacking libgfortran-8-dev:amd64 (8.3.0-6) ... Selecting previously unselected package gfortran-8. Preparing to unpack .../38-gfortran-8_8.3.0-6_amd64.deb ... Unpacking gfortran-8 (8.3.0-6) ... Selecting previously unselected package gfortran. Preparing to unpack .../39-gfortran_4%3a8.3.0-1_amd64.deb ... Unpacking gfortran (4:8.3.0-1) ... Selecting previously unselected package libnl-3-200:amd64. Preparing to unpack .../40-libnl-3-200_3.4.0-1_amd64.deb ... Unpacking libnl-3-200:amd64 (3.4.0-1) ... Selecting previously unselected package libnl-route-3-200:amd64. Preparing to unpack .../41-libnl-route-3-200_3.4.0-1_amd64.deb ... Unpacking libnl-route-3-200:amd64 (3.4.0-1) ... Selecting previously unselected package libibverbs1:amd64. Preparing to unpack .../42-libibverbs1_22.1-1_amd64.deb ... Unpacking libibverbs1:amd64 (22.1-1) ... Selecting previously unselected package ibverbs-providers:amd64. Preparing to unpack .../43-ibverbs-providers_22.1-1_amd64.deb ... Unpacking ibverbs-providers:amd64 (22.1-1) ... Selecting previously unselected package libarmci-mpi-dev:amd64. Preparing to unpack .../44-libarmci-mpi-dev_0.0~git20180917-2_amd64.deb ... 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Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps Reading package lists... Building dependency tree... Reading state information... fakeroot is already the newest version (1.23-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package I: Running cd /build/nwchem-6.8.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b dpkg-buildpackage: info: source package nwchem dpkg-buildpackage: info: source version 6.8.1-5 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Andreas Tille dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 fakeroot debian/rules clean dh clean --with autotools_dev,python2 --parallel dh: Compatibility levels before 9 are deprecated (level 7 in use) dh: The autotools-dev sequence is deprecated and replaced by dh in debhelper (>= 9.20160115) dh: This feature will be removed in compat 12. debian/rules override_dh_auto_clean make[1]: Entering directory '/build/nwchem-6.8.1' dh_testdir (cd /build/nwchem-6.8.1/src && make realclean) make[2]: Entering directory '/build/nwchem-6.8.1/src' make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: pnnl" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/nwchem-6.8.1/lib/LINUX64 || mkdir -p /build/nwchem-6.8.1/lib/LINUX64 test -d /build/nwchem-6.8.1/bin/LINUX64 || mkdir -p /build/nwchem-6.8.1/bin/LINUX64 ./util/util_nwchem_version.bash rm -f nwchem nwchem_prof nwchem_test core *.o *.a *.trace makefile.bak rm -f *~ \#*\# Making realclean in include rm -f *.h *.fh rm -f *~ \#*\# Making realclean in basis ( cd /build/nwchem-6.8.1/src/config; make /build/nwchem-6.8.1/bin/LINUX64/depend.x ; ) gcc -g -o /build/nwchem-6.8.1/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testbasis testbasis.o libcheck if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in geom /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in inp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o test hnd_rdfree.o hnd_rdfree if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in input /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a ] ; then \ echo input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pstat /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in rtdb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in hdbm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o words.o if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a make clean Making clean in hdbm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o words.o if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test test.o rtdbtest rtdbtest.o interact context davetest context.o davetest.o interact.o rtdb_par_f2c.o cntx.o cntx testgr.o testgr if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in task /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a ] ; then \ echo task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in symmetry /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in util /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in md5 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt ftest mddriver if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a make clean Making clean in md5 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt ftest mddriver if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testsolve testecce if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ] ; then \ echo output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o icopy.o dsum.o dgefa.o zsum.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in peigs (cd ./src/c; make clean) rm -f *.o maxx.f F*.f rm -f *.c.* (cd ./src/f77; make clean) rm -f *.o rm -f *.s rm -f dgetavec.f dlaebz2.f \ dspevx2.f dstebz3.f \ neblw2.f sneblw2.f sstebz3.f rm -f F*.f (cd ./comm; make clean) rm -f *.o rm -f mxbrod.f rm -f mxcombv1.f rm -f mxsubs.f rm -f sum.f peigs_dgop.f (cd ./ctof; make clean) rm -f *.o rm -f /build/nwchem-6.8.1/lib/LINUX64/libpeigs.a rm -f peigs_stamp.LINUX64 include_stamp Making realclean in perfm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libperfm.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libperfm.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libperfm.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in bq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libbq.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libbq.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libbq.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cons /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libcons.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libcons.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libcons.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in NWints /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in api /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in int /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt showxyz showxyz.o int_order.o int_order if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in auxil /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt spherical spherical.o testnat testnat.o if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ints_sp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in deriv /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in texas /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ecp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test_drive if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in hondo /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in rel /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dk /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in simint /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in module /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in source /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:340: realclean] Error 1 (ignored) make clean Making clean in module /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in source /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwints.a make clean Making clean in api /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in int /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt showxyz showxyz.o int_order.o int_order if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in auxil /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt spherical spherical.o testnat testnat.o if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in ints_sp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in deriv /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in texas /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in ecp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test_drive if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in hondo /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in rel /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in dk /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in simint /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in module /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; Making clean in source /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ] ; then \ echo intgrl_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in atomscf /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libguess.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libguess.a ] ; then \ echo orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libguess.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libguess.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libguess.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ddscf /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in fast /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libddscf.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt solver testcheby testcarttrans testfmm if [ -f /build/nwchem-6.8.1/lib/LINUX64/libddscf.a ] ; then \ echo xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libddscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libddscf.a make clean Making clean in fast /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt solver testcheby testcarttrans testfmm if [ -f /build/nwchem-6.8.1/lib/LINUX64/libddscf.a ] ; then \ echo xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libddscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libddscf.a ] ; then \ echo comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libddscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in gradients /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libgradients.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libgradients.a ] ; then \ echo gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libgradients.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libgradients.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libgradients.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in moints /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libmoints.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libmoints.a ] ; then \ echo atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libmoints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libmoints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libmoints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in nwdft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I./include -I./grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:341: realclean] Error 1 (ignored) make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in input_dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in scf_dft /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in scf_dft_cg /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in so_dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in xc cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_vdw_main.o xc_vdw_util.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in util /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in grid /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dftgrad /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lr_tddft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_contract2.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lr_tddft_grad /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in zora /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in spec cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_vspec.o dft_vspec_so.o dft_xps.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in rt_tddft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in matutils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in rtutils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in input /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in init /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in canorg /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in propagators /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in closedshell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in openshell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean Making clean in matutils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in rtutils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in input /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in init /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in canorg /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in propagators /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in closedshell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in openshell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean Making clean in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; Making clean in input_dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in scf_dft /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in scf_dft_cg /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in so_dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in xc cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_vdw_main.o xc_vdw_util.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in util /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in grid /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in dftgrad /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in lr_tddft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_contract2.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in lr_tddft_grad /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in zora /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in spec cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo dft_vspec.o dft_vspec_so.o dft_xps.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in rt_tddft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in matutils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in rtutils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in input /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in init /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in canorg /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in propagators /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in closedshell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; Making clean in openshell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ] ; then \ echo nwdft.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in rimp2 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/librimp2.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/librimp2.a ] ; then \ echo rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/librimp2.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/librimp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/librimp2.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in stepper /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libstepper.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libstepper.a ] ; then \ echo stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libstepper.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libstepper.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libstepper.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in driver /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libdriver.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libdriver.a ] ; then \ echo opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o driver_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libdriver.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libdriver.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libdriver.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in optim /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in deloc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/liboptim.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mepgs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/liboptim.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in tropt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/liboptim.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in neb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/liboptim.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo neb_input.o neb_drv.o neb_utils.o bead_list.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in string /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/liboptim.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/liboptim.a make clean Making clean in deloc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; Making clean in mepgs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; Making clean in tropt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; Making clean in neb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo neb_input.o neb_drv.o neb_utils.o bead_list.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; Making clean in string /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cphf /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libcphf.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libcphf.a ] ; then \ echo cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libcphf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libcphf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libcphf.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libccsd.a make clean cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libccsd.a ] ; then \ echo ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libccsd.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libccsd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libccsd.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in vib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libvib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libvib.a ] ; then \ echo vib_bcalc.o vib_bdiha5.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libvib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libvib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libvib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mcscf /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in detci /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a ] ; then \ echo detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a make clean Making clean in detci /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a ] ; then \ echo detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a ] ; then \ echo mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in prepar /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libprepar.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libprepar.a ] ; then \ echo prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libprepar.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libprepar.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libprepar.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in esp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libesp.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libesp.a ] ; then \ echo esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libesp.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libesp.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libesp.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in hessian /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in analytic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libhessian.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libhessian.a make clean Making clean in dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ] ; then \ echo hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libhessian.a make clean Making clean in analytic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ] ; then \ echo hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ] ; then \ echo hess_blas.o hess_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in selci /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libselci.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt conf htoa if [ -f /build/nwchem-6.8.1/lib/LINUX64/libselci.a ] ; then \ echo iprtri.o prtri.o selci_icopy.o selci_output.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o popcnt32.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libselci.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libselci.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libselci.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libdplot.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libdplot.a ] ; then \ echo dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libdplot.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libdplot.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libdplot.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mp2_grad /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libmp2.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libmp2.a ] ; then \ echo mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libmp2.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libmp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libmp2.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in qhop /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libqhop.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libqhop.a ] ; then \ echo qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libqhop.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libqhop.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libqhop.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in property /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libproperty.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libproperty.a ] ; then \ echo hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libproperty.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libproperty.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libproperty.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in solvation /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libsolvation.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libsolvation.a ] ; then \ echo mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o hnd_cosmo_lib.o grad_hnd_cos.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libsolvation.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libsolvation.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libsolvation.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in nwpw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in nwpwlib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in Parallel /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in D1dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in D3dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in Pneb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in K1dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in C3dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in DMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in CMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in TMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o dscal_omp.o ffm_multiply_omp_group.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in control /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o get_psp_type.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lattice /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in io /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in shake /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean Making clean in shake /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pseudopotential /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in paw_atom /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean Making clean in paw_atom /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in paw_utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean Making clean in paw_utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in unitcell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in brillouin_zone /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in fractional /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in linesearch /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in timing /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ewald /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in thermostats /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in MetaDynamics /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in TAMD /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in FMM /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in md_xs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in FEFF6L /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean Making clean in FEFF6L /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in nwpwxc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3a.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:340: realclean] Error 1 (ignored) make clean Making clean in Parallel /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D1dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D3dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in Pneb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in K1dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in C3dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in DMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in CMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o dscal_omp.o ffm_multiply_omp_group.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in control /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o get_psp_type.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in lattice /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in io /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in shake /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in pseudopotential /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in paw_atom /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in paw_utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in unitcell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in brillouin_zone /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in fractional /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in linesearch /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in timing /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ewald /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in thermostats /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in MetaDynamics /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TAMD /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in FMM /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in md_xs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in FEFF6L /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in nwpwxc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3a.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in libraryps /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_library.o nwpw_libfile.o nwpw_set_library.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pspw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in exchange-correlation /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in sic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in psp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in aorbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in truncating_function /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:340: realclean] Error 1 (ignored) make clean Making clean in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in exchange-correlation /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in sic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in psp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in aorbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in truncating_function /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in kbpp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in makepsi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cgsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in analysis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in APC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean Making clean in APC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in qmmm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in pspw_LJ /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pspw_Q /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pspw_Pair /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mmq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean Making clean in pspw_LJ /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Q /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Pair /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in mmq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in charge /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lcao /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpspw.a make clean Making clean in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in exchange-correlation /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in sic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in psp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in aorbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in truncating_function /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; Making clean in kbpp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in makepsi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in cgsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in analysis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in APC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in qmmm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in pspw_LJ /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Q /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Pair /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in mmq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in charge /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in lcao /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in paw_geometry /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_ma /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_utils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_basis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_proj /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_matrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_ovlp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_comp_charge /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_special_functions /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_gaunt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_kinetic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_vloc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_ion_potential /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_core /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_hartree /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_comp_pot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_mult /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_nonlocal /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_density /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_xc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_force /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cgsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpaw.a make clean Making clean in paw_geometry /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ma /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_utils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_basis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_proj /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_matrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ovlp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_charge /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_special_functions /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_gaunt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_kinetic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_vloc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ion_potential /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_core /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_hartree /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_pot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_mult /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_nonlocal /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_density /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_xc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_force /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in cgsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt rm: cannot remove 'paw_core': Is a directory make[5]: [../../config/makelib.h:299: clean] Error 1 (ignored) if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in band /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in minimizer /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in structure /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in kbpp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in makepsi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in cpsp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in borbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:340: realclean] Error 1 (ignored) make clean Making clean in cpsp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in borbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in analysis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libband.a make clean Making clean in minimizer /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in structure /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in kbpp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in makepsi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in cpsp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in borbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; Making clean in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in analysis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ofpw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in minimizer /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libofpw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libofpw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in chi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libofpw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libofpw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libofpw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in WGC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libofpw.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:340: realclean] Error 1 (ignored) make clean Making clean in chi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in WGC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libofpw.a make clean Making clean in minimizer /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in chi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in WGC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpw.a make clean Making clean in nwpwlib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in Parallel /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D1dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D3dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in Pneb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in K1dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in C3dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in DMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in CMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o dscal_omp.o ffm_multiply_omp_group.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in control /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o get_psp_type.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in lattice /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in io /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in shake /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in pseudopotential /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in paw_atom /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in paw_utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in unitcell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in brillouin_zone /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in fractional /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in linesearch /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in timing /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ewald /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in thermostats /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in MetaDynamics /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TAMD /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in FMM /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in md_xs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in FEFF6L /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in nwpwxc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3a.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; Making clean in libraryps /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_library.o nwpw_libfile.o nwpw_set_library.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; Making clean in pspw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in exchange-correlation /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in sic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in psp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in aorbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in truncating_function /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; Making clean in kbpp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in makepsi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in cgsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in analysis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in APC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in qmmm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in pspw_LJ /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Q /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Pair /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in mmq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in charge /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in lcao /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; Making clean in paw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in paw_geometry /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ma /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_utils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_basis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_proj /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_matrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ovlp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_charge /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_special_functions /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_gaunt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_kinetic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_vloc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ion_potential /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_core /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_hartree /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_pot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_mult /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_nonlocal /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_density /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_xc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_force /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in paw_psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in cgsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt rm: cannot remove 'paw_core': Is a directory make[5]: [../../config/makelib.h:299: clean] Error 1 (ignored) if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; Making clean in band /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in minimizer /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in structure /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in kbpp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in makepsi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in cpsp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in borbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; Making clean in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in analysis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ] ; then \ echo band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libband.a ; \ fi ; \ fi ; Making clean in ofpw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in minimizer /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in chi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; Making clean in WGC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpw.a ] ; then \ echo nwpw_input.o nwpw_default.o nwpw_vectors_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in fft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in pfft1.0 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in fftpack /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpfft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pfft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpfft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:340: realclean] Error 1 (ignored) make clean Making clean in fftpack /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; Making clean in pfft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in pfftwrap /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpfft.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libpfft.a make clean Making clean in pfft1.0 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in fftpack /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; Making clean in pfft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; Making clean in pfftwrap /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in python /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/python2.7 -I/usr/include -I/usr/Include -I/usr -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwpython.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwpython.a ] ; then \ echo python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwpython.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwpython.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwpython.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in analyz /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libanalyze.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libanalyze.a ] ; then \ echo ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libanalyze.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libanalyze.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libanalyze.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in nwmd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwmd.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libnwmd.a ] ; then \ echo nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libnwmd.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libnwmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libnwmd.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cafe /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libcafe.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libcafe.a ] ; then \ echo cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libcafe.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libcafe.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libcafe.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in space /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libspace.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libspace.a ] ; then \ echo sp_init.o sp_main.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libspace.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libspace.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libspace.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in drdy /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libdrdy.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libdrdy.a ] ; then \ echo atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libdrdy.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libdrdy.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libdrdy.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in vscf /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libvscf.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libvscf.a ] ; then \ echo vscf_input.o vscf.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libvscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libvscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libvscf.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in qmmm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libqmmm.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libqmmm.a ] ; then \ echo qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libqmmm.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libqmmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libqmmm.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in qmd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libqmd.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libqmd.a ] ; then \ echo qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libqmd.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libqmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libqmd.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in etrans /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libetrans.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libetrans.a ] ; then \ echo et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_dgefa.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libetrans.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libetrans.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libetrans.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in tce /build/nwchem-6.8.1/bin/LINUX64/depend.x -I./include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:341: realclean] Error 1 (ignored) make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in diis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in diis2 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in gradients /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_lambda /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in eomccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o offl_ccsd_t_singles_l.o offl_ccsd_t_singles_l_1.o ccsd_t_dot.o ccsd_t_neword.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cr-eomccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lrh /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in emb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lccd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in qcisd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cc3 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mbpt1 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mbpt2 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mbpt3 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mbpt4 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cisd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cisdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cisdtq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in eomccsd_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cr_eomccsd_t_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in sort /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in eaccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ipccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsdt_lambda /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in eomccsdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_alpha /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_beta /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_yr /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in response /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mrcc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I./include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making realclean in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:341: realclean] Error 1 (ignored) make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_sub /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in uss /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean Making clean in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; Making clean in ccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_sub /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in uss /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libtce.a make clean Making clean in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; Making clean in diis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in diis2 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in gradients /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_lambda /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in eomccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o offl_ccsd_t_singles_l.o offl_ccsd_t_singles_l_1.o ccsd_t_dot.o ccsd_t_neword.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in cr-eomccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in lrh /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in emb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in lccd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in lccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in qcisd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in cc3 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in mbpt1 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in mbpt2 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in mbpt3 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in mbpt4 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in cis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in cisd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in cisdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in cisdtq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in eomccsd_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in cr_eomccsd_t_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in sort /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in eaccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ipccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsdt_lambda /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in eomccsdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_alpha /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_beta /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_yr /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in response /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in mrcc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I./include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making clean in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/ ; \ fi ; \ fi ; Making clean in ccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_sub /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; Making clean in uss /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ] ; then \ echo tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in bq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libbq.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libbq.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libbq.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libmm.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libmm.a ] ; then \ echo mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libmm.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libmm.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cons /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libcons.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libcons.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libcons.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in perfm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libperfm.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libperfm.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libperfm.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dntmc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libdntmc.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libdntmc.a ] ; then \ echo dntmc_input.o dntmc_setgeom.o gibbs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libdntmc.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libdntmc.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libdntmc.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dangchang /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libdangchang.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libdangchang.a ] ; then \ echo dc_initialize.o dc_setgeom.o dc_energy.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libdangchang.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libdangchang.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libdangchang.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccca /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../basis -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libccca.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libccca.a ] ; then \ echo task_ccca.o ccca_utils.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libccca.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libccca.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libccca.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dimqm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libdimqm.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/libdimqm.a ] ; then \ echo dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/libdimqm.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/libdimqm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/libdimqm.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in 64to32blas /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/lib64to32.a make clean rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX64/lib64to32.a ] ; then \ echo yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX64/lib64to32.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX64/lib64to32.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX64/lib64to32.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in config /bin/rm -f /build/nwchem-6.8.1/bin/LINUX64/depend.x depend.o /bin/rm -f nwchem_config.h NWCHEM_CONFIG rm -f /build/nwchem-6.8.1/lib/LINUX64/*.a /build/nwchem-6.8.1/bin/LINUX64/* rm -f *.db movecs fort.41 fort.44 rm -f util/util_version.F make[2]: Leaving directory '/build/nwchem-6.8.1/src' (cd /build/nwchem-6.8.1/doc && make realclean) make[2]: Entering directory '/build/nwchem-6.8.1/doc' Making realclean in prog make[3]: Entering directory '/build/nwchem-6.8.1/doc/prog' make clean make[4]: Entering directory '/build/nwchem-6.8.1/doc/prog' /bin/rm -f *.dvi *.ps *.toc *.aux *.log *~ /bin/rm -rf prog make[4]: Leaving directory '/build/nwchem-6.8.1/doc/prog' rm -f progpdf.pdf progpdf.out make[3]: Leaving directory '/build/nwchem-6.8.1/doc/prog' Making realclean in user make[3]: Entering directory '/build/nwchem-6.8.1/doc/user' make clean make[4]: Entering directory '/build/nwchem-6.8.1/doc/user' /bin/rm -f *.dvi *.ps *.toc *.aux *.log *~ /bin/rm -rf user make[4]: Leaving directory '/build/nwchem-6.8.1/doc/user' rm -f userpdf.pdf userpdf.out make[3]: Leaving directory '/build/nwchem-6.8.1/doc/user' make[2]: Leaving directory '/build/nwchem-6.8.1/doc' rm -rf /build/nwchem-6.8.1/bin /build/nwchem-6.8.1/lib /build/nwchem-6.8.1/src/tools/lib rm -rf /build/nwchem-6.8.1/QA/scratchdir /build/nwchem-6.8.1/QA/testoutputs rm -f src/util/util_version.F src/stubs.F src/util/util_module_avail.F src/util/util_nwchem_version.F find /build/nwchem-6.8.1 -name "*.stamp" | xargs rm -f dh_auto_clean dh_auto_clean: Compatibility levels before 9 are deprecated (level 7 in use) rm -f src/config/NWCHEM_CONFIG src/config/nwchem_config.h make[1]: Leaving directory '/build/nwchem-6.8.1' dh_autotools-dev_restoreconfig -O--parallel dh_autotools-dev_restoreconfig: Compatibility levels before 9 are deprecated (level 7 in use) dh_autotools-dev_restoreconfig: dh_autotools-dev_restoreconfig is deprecated; please see dh_autotools-dev_restoreconfig(1) for a replacement dh_autotools-dev_restoreconfig: This feature will be removed in compat 12. dh_clean -O--parallel dh_clean: Compatibility levels before 9 are deprecated (level 7 in use) debian/rules build dh build --with autotools_dev,python2 --parallel dh: Compatibility levels before 9 are deprecated (level 7 in use) dh: The autotools-dev sequence is deprecated and replaced by dh in debhelper (>= 9.20160115) dh: This feature will be removed in compat 12. dh_update_autotools_config -O--parallel dh_autotools-dev_updateconfig -O--parallel dh_autotools-dev_updateconfig: Compatibility levels before 9 are deprecated (level 7 in use) dh_autotools-dev_updateconfig: dh_autotools-dev_updateconfig is deprecated; please see dh_autotools-dev_updateconfig(1) for a replacement dh_autotools-dev_updateconfig: This feature will be removed in compat 12. dh_auto_configure -O--parallel dh_auto_configure: Compatibility levels before 9 are deprecated (level 7 in use) debian/rules override_dh_auto_build-arch make[1]: Entering directory '/build/nwchem-6.8.1' mkdir -p /build/nwchem-6.8.1/bin/LINUX64 (cd /build/nwchem-6.8.1/src && NWCHEM_TOP=/build/nwchem-6.8.1 make nwchem_config) make[2]: Entering directory '/build/nwchem-6.8.1/src' make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: pnnl" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: pnnl" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[2]: Leaving directory '/build/nwchem-6.8.1/src' (cd /build/nwchem-6.8.1/src && make 64_to_32) make[2]: Entering directory '/build/nwchem-6.8.1/src' test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/nwchem-6.8.1/lib/LINUX64 || mkdir -p /build/nwchem-6.8.1/lib/LINUX64 test -d /build/nwchem-6.8.1/bin/LINUX64 || mkdir -p /build/nwchem-6.8.1/bin/LINUX64 ./util/util_nwchem_version.bash rm -f 32_to_64 for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm 64to32blas; do \ make -C $dir 64_to_32 || exit 1 ; \ done Nothing to be done ( cd /build/nwchem-6.8.1/src/config; make /build/nwchem-6.8.1/bin/LINUX64/depend.x ; ) gcc -g -o /build/nwchem-6.8.1/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 bas_blas.F bas_blasP.F basis.F converting bas_blas.F to 32-bit integers for BLAS/LAPACK [1] 46364 converting bas_blasP.F to 32-bit integers for BLAS/LAPACK [2] 46365 converting basis.F to 32-bit integers for BLAS/LAPACK [3] 46366 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F converting geom.F to 32-bit integers for BLAS/LAPACK [1] 47098 converting geom_input.F to 32-bit integers for BLAS/LAPACK [2] 47099 converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK [3] 47100 converting geom_hnd.F to 32-bit integers for BLAS/LAPACK [4] 47101 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting geom_3d.F to 32-bit integers for BLAS/LAPACK [1] 47102 converting geom_getsym.F to 32-bit integers for BLAS/LAPACK [2] 47103 converting geom_2d.F to 32-bit integers for BLAS/LAPACK [3] 47104 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in hdbm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 task_num_grad.F task_bsse.F converting task_num_grad.F to 32-bit integers for BLAS/LAPACK [1] 51494 converting task_bsse.F to 32-bit integers for BLAS/LAPACK [2] 51495 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F to 32-bit integers for BLAS/LAPACK [1] 52228 converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK [2] 52229 converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK [3] 52230 converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK [4] 52231 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_op_clsfy.F to 32-bit integers for BLAS/LAPACK [1] 52232 converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK [2] 52233 converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK [3] 52234 converting dosymops.F to 32-bit integers for BLAS/LAPACK [4] 52235 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_abelian.F to 32-bit integers for BLAS/LAPACK [1] 52236 converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK [2] 52237 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F dfill.F ga_lkain_2cpl3_ext.F ga_it2.F converting util.fh to 32-bit integers for BLAS/LAPACK [1] 53011 converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK [2] 53012 converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK [3] 53013 converting ga_mix.F to 32-bit integers for BLAS/LAPACK [4] 53014 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ga_iter_diag.F to 32-bit integers for BLAS/LAPACK [1] 53015 converting ga_orthog.F to 32-bit integers for BLAS/LAPACK [2] 53016 converting dabsmax.F to 32-bit integers for BLAS/LAPACK [3] 53017 converting ga_normf.F to 32-bit integers for BLAS/LAPACK [4] 53018 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting corr_mk_ref.F to 32-bit integers for BLAS/LAPACK [1] 53019 converting ga_it2.F to 32-bit integers for BLAS/LAPACK [2] 53020 converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK [3] 53021 converting util_file_name.F to 32-bit integers for BLAS/LAPACK [4] 53022 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dgefa.f to 32-bit integers for BLAS/LAPACK [1] 53023 converting util_patch_test.F to 32-bit integers for BLAS/LAPACK [2] 53024 converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK [3] 53025 converting util_dgeev.F to 32-bit integers for BLAS/LAPACK [4] 53026 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting util_test_cholesky.F to 32-bit integers for BLAS/LAPACK [1] 53027 converting dfill.F to 32-bit integers for BLAS/LAPACK [2] 53028 converting ga_lkain_2cpl3_ext.F to 32-bit integers for BLAS/LAPACK [3] 53029 converting ga_it2.F to 32-bit integers for BLAS/LAPACK [4] 53030 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in md5 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary (cd ./src/c; make 64_to_32) /build/nwchem-6.8.1/src/config/64_to_32 "*c *f *F" converting b_ortho.c to 32-bit integers for BLAS/LAPACK [1] 55945 converting chol_bcst.c to 32-bit integers for BLAS/LAPACK [2] 55946 converting choleski9.c to 32-bit integers for BLAS/LAPACK [3] 55947 converting ci_entry.c to 32-bit integers for BLAS/LAPACK [4] 55948 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrf3.c to 32-bit integers for BLAS/LAPACK [1] 55949 converting clustrf4.c to 32-bit integers for BLAS/LAPACK [2] 55950 converting clustrf5.c to 32-bit integers for BLAS/LAPACK [3] 55951 converting clustrfix.c to 32-bit integers for BLAS/LAPACK [4] 55952 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrxx3.c to 32-bit integers for BLAS/LAPACK [1] 55953 converting clustrxx30.c to 32-bit integers for BLAS/LAPACK [2] 55954 converting clustrxx31.c to 32-bit integers for BLAS/LAPACK [3] 55955 converting clustrxx33.c to 32-bit integers for BLAS/LAPACK [4] 55956 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrxx4.c to 32-bit integers for BLAS/LAPACK [1] 55957 converting clustrxx5.c to 32-bit integers for BLAS/LAPACK [2] 55958 converting clustrxx99.c to 32-bit integers for BLAS/LAPACK [3] 55959 converting conjug22.c to 32-bit integers for BLAS/LAPACK [4] 55960 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting de_sym.c to 32-bit integers for BLAS/LAPACK [1] 55961 converting exit.c to 32-bit integers for BLAS/LAPACK [2] 55962 converting exit2.c to 32-bit integers for BLAS/LAPACK [3] 55963 converting forLL.c to 32-bit integers for BLAS/LAPACK [4] 55964 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting forLU.c to 32-bit integers for BLAS/LAPACK [1] 55965 converting gmax.c to 32-bit integers for BLAS/LAPACK [2] 55966 converting inv_it3.c to 32-bit integers for BLAS/LAPACK [3] 55967 converting inv_it4.c to 32-bit integers for BLAS/LAPACK [4] 55968 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting inv_it44.c to 32-bit integers for BLAS/LAPACK [1] 55969 converting inv_it5.c to 32-bit integers for BLAS/LAPACK [2] 55970 converting inv_it6.c to 32-bit integers for BLAS/LAPACK [3] 55971 converting inverse.c to 32-bit integers for BLAS/LAPACK [4] 55972 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lu_mxm2.c to 32-bit integers for BLAS/LAPACK [1] 55973 converting mapchk.c to 32-bit integers for BLAS/LAPACK [2] 55974 converting mapdif.c to 32-bit integers for BLAS/LAPACK [3] 55975 converting mapdif1.c to 32-bit integers for BLAS/LAPACK [4] 55976 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting matmax.c to 32-bit integers for BLAS/LAPACK [1] 55977 converting mdif2b.c to 32-bit integers for BLAS/LAPACK [2] 55978 converting mdiff1.c to 32-bit integers for BLAS/LAPACK [3] 55979 converting mdiff2.c to 32-bit integers for BLAS/LAPACK [4] 55980 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting memreq.c to 32-bit integers for BLAS/LAPACK [1] 55982 converting memreq2.c to 32-bit integers for BLAS/LAPACK [2] 55983 converting memreq_eval.c to 32-bit integers for BLAS/LAPACK [3] 55984 converting memreq_f.c to 32-bit integers for BLAS/LAPACK [4] 55985 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mgs4.c to 32-bit integers for BLAS/LAPACK [1] 55995 converting mgs5.c to 32-bit integers for BLAS/LAPACK [2] 55996 converting mgscs.c to 32-bit integers for BLAS/LAPACK [3] 55997 converting mxm25.c to 32-bit integers for BLAS/LAPACK [4] 55998 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mxm5x.c to 32-bit integers for BLAS/LAPACK [1] 55999 converting mxm88.c to 32-bit integers for BLAS/LAPACK [2] 56000 converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK [3] 56001 converting onenorm.c to 32-bit integers for BLAS/LAPACK [4] 56002 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ortho.c to 32-bit integers for BLAS/LAPACK [1] 56003 converting ortho2.c to 32-bit integers for BLAS/LAPACK [2] 56004 converting pdcomplex.c to 32-bit integers for BLAS/LAPACK [3] 56005 converting pdiff.c to 32-bit integers for BLAS/LAPACK [4] 56006 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspev_c.c to 32-bit integers for BLAS/LAPACK [1] 56007 converting pdspeval.c to 32-bit integers for BLAS/LAPACK [2] 56008 converting pdspevx.c to 32-bit integers for BLAS/LAPACK [3] 56009 converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK [4] 56010 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspgvx.c to 32-bit integers for BLAS/LAPACK [1] 56011 converting pdsptri.c to 32-bit integers for BLAS/LAPACK [2] 56012 converting pdsptri2.c to 32-bit integers for BLAS/LAPACK [3] 56013 converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK [4] 56014 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_tldlfact.c to 32-bit integers for BLAS/LAPACK [1] 56015 converting pgexit.c to 32-bit integers for BLAS/LAPACK [2] 56016 converting pipe_fut.c to 32-bit integers for BLAS/LAPACK [3] 56017 converting pmmLSL.c to 32-bit integers for BLAS/LAPACK [4] 56018 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pmmLUL.c to 32-bit integers for BLAS/LAPACK [1] 56019 converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK [2] 56020 converting pscale.c to 32-bit integers for BLAS/LAPACK [3] 56021 converting pstebz10.c to 32-bit integers for BLAS/LAPACK [4] 56022 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pstebz11.c to 32-bit integers for BLAS/LAPACK [1] 56023 converting pstebz9.c to 32-bit integers for BLAS/LAPACK [2] 56024 converting pstein3.c to 32-bit integers for BLAS/LAPACK [3] 56025 converting pstein4.c to 32-bit integers for BLAS/LAPACK [4] 56026 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pstein44.c to 32-bit integers for BLAS/LAPACK [1] 56027 converting pstein5.c to 32-bit integers for BLAS/LAPACK [2] 56028 converting pxerbla.c to 32-bit integers for BLAS/LAPACK [3] 56029 converting qsort.c to 32-bit integers for BLAS/LAPACK [4] 56030 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting r_ritz.c to 32-bit integers for BLAS/LAPACK [1] 56031 converting reducemap.c to 32-bit integers for BLAS/LAPACK [2] 56032 converting resid.c to 32-bit integers for BLAS/LAPACK [3] 56033 converting residual.c to 32-bit integers for BLAS/LAPACK [4] 56034 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sfnorm.c to 32-bit integers for BLAS/LAPACK [1] 56035 converting shellsort.c to 32-bit integers for BLAS/LAPACK [2] 56036 converting soluf.c to 32-bit integers for BLAS/LAPACK [3] 56037 converting sonenorm.c to 32-bit integers for BLAS/LAPACK [4] 56038 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting soort.c to 32-bit integers for BLAS/LAPACK [1] 56039 converting sort.c to 32-bit integers for BLAS/LAPACK [2] 56040 converting sorteig.c to 32-bit integers for BLAS/LAPACK [3] 56041 converting tred22.c to 32-bit integers for BLAS/LAPACK [4] 56042 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting treesort3.c to 32-bit integers for BLAS/LAPACK [1] 56043 converting tresid.c to 32-bit integers for BLAS/LAPACK [2] 56044 converting util.c to 32-bit integers for BLAS/LAPACK [3] 56045 converting xerbla.c to 32-bit integers for BLAS/LAPACK [4] 56046 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_cmod.f to 32-bit integers for BLAS/LAPACK [1] 56047 converting gdot.F to 32-bit integers for BLAS/LAPACK [2] 56048 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) (cd ./src/f77; make 64_to_32) /build/nwchem-6.8.1/src/config/64_to_32 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f dspevx2.F converting types.f to 32-bit integers for BLAS/LAPACK [1] 57051 converting inverm.F to 32-bit integers for BLAS/LAPACK [2] 57052 converting dgetavec.F to 32-bit integers for BLAS/LAPACK [3] 57053 converting dgetavec2.f to 32-bit integers for BLAS/LAPACK [4] 57054 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dgetavec3.f to 32-bit integers for BLAS/LAPACK [1] 57055 converting dgetavec4.F to 32-bit integers for BLAS/LAPACK [2] 57056 converting dptsvx2.f to 32-bit integers for BLAS/LAPACK [3] 57057 converting dspevx2.F to 32-bit integers for BLAS/LAPACK [4] 57058 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) (cd ./comm; make 64_to_32) /build/nwchem-6.8.1/src/config/64_to_32 "*c *f *F" converting maxx.F to 32-bit integers for BLAS/LAPACK [1] 58060 converting mxbrod.F to 32-bit integers for BLAS/LAPACK [2] 58061 converting mxcombv1.F to 32-bit integers for BLAS/LAPACK [3] 58062 converting mxsubs.F to 32-bit integers for BLAS/LAPACK [4] 58063 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_dgop.F to 32-bit integers for BLAS/LAPACK [1] 58064 converting sum.F to 32-bit integers for BLAS/LAPACK [2] 58065 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) (cd ./ctof; make 64_to_32) /build/nwchem-6.8.1/src/config/64_to_32 "*c *f *F" converting bortho_f.c to 32-bit integers for BLAS/LAPACK [1] 59206 converting choleski_f.c to 32-bit integers for BLAS/LAPACK [2] 59207 converting inverse_f.c to 32-bit integers for BLAS/LAPACK [3] 59208 converting mxm25_f.c to 32-bit integers for BLAS/LAPACK [4] 59209 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mxm5x_f.c to 32-bit integers for BLAS/LAPACK [1] 59210 converting mxm88_f.c to 32-bit integers for BLAS/LAPACK [2] 59211 converting onenorm_f.c to 32-bit integers for BLAS/LAPACK [3] 59212 converting ortho_f.c to 32-bit integers for BLAS/LAPACK [4] 59213 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspev_f.c to 32-bit integers for BLAS/LAPACK [1] 59214 converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK [2] 59215 converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK [3] 59216 converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK [4] 59217 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdsptri_f.c to 32-bit integers for BLAS/LAPACK [1] 59218 converting resid_f.c to 32-bit integers for BLAS/LAPACK [2] 59219 converting residual_f.c to 32-bit integers for BLAS/LAPACK [3] 59220 converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK [4] 59221 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tresid_f.c to 32-bit integers for BLAS/LAPACK [1] 59222 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK [1] 60685 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in api /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F to 32-bit integers for BLAS/LAPACK [1] 63271 converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK [2] 63272 converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK [3] 63273 converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK [4] 63275 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intbd_2e4c.F to 32-bit integers for BLAS/LAPACK [1] 63361 converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK [2] 63362 converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK [3] 63363 converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK [4] 63364 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intd_2e4c.F to 32-bit integers for BLAS/LAPACK [1] 63460 converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK [2] 63462 converting intp_txyz.F to 32-bit integers for BLAS/LAPACK [3] 63464 converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK [4] 63465 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intbdd_2e4c.F to 32-bit integers for BLAS/LAPACK [1] 63524 converting int_2e4c.F to 32-bit integers for BLAS/LAPACK [2] 63525 converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK [3] 63526 converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK [4] 63527 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intd_2e3c.F to 32-bit integers for BLAS/LAPACK [1] 63528 converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK [2] 63529 converting intd_1epot.F to 32-bit integers for BLAS/LAPACK [3] 63530 converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK [4] 63531 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intpd_1eov.F to 32-bit integers for BLAS/LAPACK [1] 63532 converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK [2] 63533 converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK [3] 63534 converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK [4] 63535 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intpd_2e3ct.F to 32-bit integers for BLAS/LAPACK [1] 63542 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in int /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f to 32-bit integers for BLAS/LAPACK [1] 64381 converting hfkei.f to 32-bit integers for BLAS/LAPACK [2] 64382 converting hfnai.f to 32-bit integers for BLAS/LAPACK [3] 64383 converting hfnai_er.F to 32-bit integers for BLAS/LAPACK [4] 64384 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2.F to 32-bit integers for BLAS/LAPACK [1] 64385 converting igamma.F to 32-bit integers for BLAS/LAPACK [2] 64386 converting hferi.F to 32-bit integers for BLAS/LAPACK [3] 64387 converting hf1.F to 32-bit integers for BLAS/LAPACK [4] 64388 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf1mke3.f to 32-bit integers for BLAS/LAPACK [1] 64394 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in auxil /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F to 32-bit integers for BLAS/LAPACK [1] 65214 converting spherical.F to 32-bit integers for BLAS/LAPACK [2] 65215 converting xlm_norm.F to 32-bit integers for BLAS/LAPACK [3] 65216 converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK [4] 65217 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting int_norm_2c.F to 32-bit integers for BLAS/LAPACK [1] 65505 converting int_spcart2.F to 32-bit integers for BLAS/LAPACK [2] 65506 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ints_sp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 sp1111.F converting sp1111.F to 32-bit integers for BLAS/LAPACK [1] 1132 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in deriv /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f to 32-bit integers for BLAS/LAPACK [1] 2229 converting hf1d.F to 32-bit integers for BLAS/LAPACK [2] 2230 converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK [3] 2231 converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK [4] 2232 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2d.F to 32-bit integers for BLAS/LAPACK [1] 2234 converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK [2] 2235 converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK [3] 2236 converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK [4] 2237 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2d_3a.F to 32-bit integers for BLAS/LAPACK [1] 2275 converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK [2] 2277 converting hfd3oi.F to 32-bit integers for BLAS/LAPACK [3] 2278 converting hf2d_all.F to 32-bit integers for BLAS/LAPACK [4] 2279 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hfderi.F to 32-bit integers for BLAS/LAPACK [1] 2345 converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK [2] 2347 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in texas /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 amshift.F big_service.F trobsa.F getmem.F converting amshift.F to 32-bit integers for BLAS/LAPACK [1] 3186 converting big_service.F to 32-bit integers for BLAS/LAPACK [2] 3187 converting trobsa.F to 32-bit integers for BLAS/LAPACK [3] 3188 converting getmem.F to 32-bit integers for BLAS/LAPACK [4] 3189 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ecp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f to 32-bit integers for BLAS/LAPACK [1] 4048 converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK [2] 4049 converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK [3] 4050 converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK [4] 4051 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_grad_b.F to 32-bit integers for BLAS/LAPACK [1] 4052 converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK [2] 4053 converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK [3] 4054 converting ecp_int0.F to 32-bit integers for BLAS/LAPACK [4] 4055 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_int1.F to 32-bit integers for BLAS/LAPACK [1] 4059 converting ecp_int2.F to 32-bit integers for BLAS/LAPACK [2] 4060 converting ecp_integral.F to 32-bit integers for BLAS/LAPACK [3] 4061 converting ecp_local0.F to 32-bit integers for BLAS/LAPACK [4] 4062 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_local1.F to 32-bit integers for BLAS/LAPACK [1] 4068 converting ecp_local2.F to 32-bit integers for BLAS/LAPACK [2] 4069 converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK [3] 4070 converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK [4] 4071 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_radint1.F to 32-bit integers for BLAS/LAPACK [1] 4073 converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK [2] 4074 converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK [3] 4075 converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK [4] 4076 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t1_Q0asy.F to 32-bit integers for BLAS/LAPACK [1] 4082 converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK [2] 4083 converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK [3] 4084 converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK [4] 4085 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t1_Q3pow.F to 32-bit integers for BLAS/LAPACK [1] 4086 converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK [2] 4087 converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK [3] 4088 converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK [4] 4089 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t2_p4pow.F to 32-bit integers for BLAS/LAPACK [1] 4091 converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK [2] 4092 converting int_ecp.F to 32-bit integers for BLAS/LAPACK [3] 4093 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in hondo /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F to 32-bit integers for BLAS/LAPACK [1] 4980 converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK [2] 4981 converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK [3] 4982 converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK [4] 4983 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_pso.F to 32-bit integers for BLAS/LAPACK [1] 5024 converting hnd_dso.F to 32-bit integers for BLAS/LAPACK [2] 5025 converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK [3] 5026 converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK [4] 5027 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_giaotv10.F to 32-bit integers for BLAS/LAPACK [1] 5050 converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK [2] 5051 converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK [3] 5052 converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK [4] 5053 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_giaos100.F to 32-bit integers for BLAS/LAPACK [1] 5067 converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK [2] 5068 converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK [3] 5069 converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK [4] 5070 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_angmom.F to 32-bit integers for BLAS/LAPACK [1] 5080 converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK [2] 5081 converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK [3] 5082 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in rel /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_oneld_cosmo.F rel_pot2.F converting rel_onel.F to 32-bit integers for BLAS/LAPACK [1] 5819 converting rel_oneld.F to 32-bit integers for BLAS/LAPACK [2] 5820 converting rel_mpole.F to 32-bit integers for BLAS/LAPACK [3] 5821 converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK [4] 5822 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_LLSS.F to 32-bit integers for BLAS/LAPACK [1] 5823 converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK [2] 5824 converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK [3] 5825 converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK [4] 5826 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_LLSSd.F to 32-bit integers for BLAS/LAPACK [1] 5827 converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK [2] 5828 converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK [3] 5829 converting rel_pot.F to 32-bit integers for BLAS/LAPACK [4] 5830 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_oneld_cosmo.F to 32-bit integers for BLAS/LAPACK [1] 5831 converting rel_pot2.F to 32-bit integers for BLAS/LAPACK [2] 5832 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in dk /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F to 32-bit integers for BLAS/LAPACK [1] 6562 converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK [2] 6563 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in simint /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in module /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in source /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary 64_to_32 : no conversion necessary 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F to 32-bit integers for BLAS/LAPACK [1] 9485 converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK [2] 9486 converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK [3] 9487 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F converting ao_fock_2e.F to 32-bit integers for BLAS/LAPACK [1] 10217 converting ao_replicated.F to 32-bit integers for BLAS/LAPACK [2] 10218 converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK [3] 10219 converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK [4] 10220 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting int2e_file.F to 32-bit integers for BLAS/LAPACK [1] 10221 converting movecs_lock.F to 32-bit integers for BLAS/LAPACK [2] 10222 converting movecs_phase.F to 32-bit integers for BLAS/LAPACK [3] 10223 converting riscf_fock.F to 32-bit integers for BLAS/LAPACK [4] 10224 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting riscf_trans.F to 32-bit integers for BLAS/LAPACK [1] 10225 converting rohf_diis.F to 32-bit integers for BLAS/LAPACK [2] 10226 converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK [3] 10227 converting scf_movecs.F to 32-bit integers for BLAS/LAPACK [4] 10228 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting scf_vec_guess.F to 32-bit integers for BLAS/LAPACK [1] 10229 converting uhf.F to 32-bit integers for BLAS/LAPACK [2] 10230 converting movecs_frag.F to 32-bit integers for BLAS/LAPACK [3] 10231 converting localize.F to 32-bit integers for BLAS/LAPACK [4] 10232 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting fock_2e.F to 32-bit integers for BLAS/LAPACK [1] 10243 converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK [2] 10244 converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK [3] 10245 converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK [4] 10246 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vectors.F to 32-bit integers for BLAS/LAPACK [1] 10247 converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK [2] 10248 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in fast /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F converting potential.F to 32-bit integers for BLAS/LAPACK [1] 10988 converting pot_shell.F to 32-bit integers for BLAS/LAPACK [2] 10989 converting fmm.F to 32-bit integers for BLAS/LAPACK [3] 10990 converting newfmm.F to 32-bit integers for BLAS/LAPACK [4] 10991 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting testfmm.F to 32-bit integers for BLAS/LAPACK [1] 10992 converting cart_trans.F to 32-bit integers for BLAS/LAPACK [2] 10993 converting xlm_poles.F to 32-bit integers for BLAS/LAPACK [3] 10994 converting fastj.F to 32-bit integers for BLAS/LAPACK [4] 10995 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting solver.F to 32-bit integers for BLAS/LAPACK [1] 10996 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 grad2.F ga_reorder.F grad_dens.F converting grad2.F to 32-bit integers for BLAS/LAPACK [1] 11727 converting ga_reorder.F to 32-bit integers for BLAS/LAPACK [2] 11728 converting grad_dens.F to 32-bit integers for BLAS/LAPACK [3] 11729 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F to 32-bit integers for BLAS/LAPACK [1] 12460 converting moints_6x.F to 32-bit integers for BLAS/LAPACK [2] 12461 converting moints_aux2.F to 32-bit integers for BLAS/LAPACK [3] 12462 converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK [4] 12463 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting moints_full.F to 32-bit integers for BLAS/LAPACK [1] 12464 converting moints_semi.F to 32-bit integers for BLAS/LAPACK [2] 12465 converting sifs0.F to 32-bit integers for BLAS/LAPACK [3] 12466 converting sifs1.F to 32-bit integers for BLAS/LAPACK [4] 12467 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I./include -I./grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 xc_vwn_a.fh converting xc_vwn_a.fh to 32-bit integers for BLAS/LAPACK [1] 13926 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in input_dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in scf_dft /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory /build/nwchem-6.8.1/src/config/64_to_32 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F converting dft_mxovl.F to 32-bit integers for BLAS/LAPACK [1] 15442 converting diis_bld12.F to 32-bit integers for BLAS/LAPACK [2] 15443 converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK [3] 15444 converting dft_densm.F to 32-bit integers for BLAS/LAPACK [4] 15445 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_swapab.F to 32-bit integers for BLAS/LAPACK [1] 15446 converting dft_canorg.F to 32-bit integers for BLAS/LAPACK [2] 15447 converting cdft_util.F to 32-bit integers for BLAS/LAPACK [3] 15448 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in scf_dft_cg /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in so_dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F dft_densmso.F converting dft_mxovlso.F to 32-bit integers for BLAS/LAPACK [1] 16910 converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK [2] 16911 converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK [3] 16912 converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK [4] 16913 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_op_clsfy_so.F to 32-bit integers for BLAS/LAPACK [1] 16914 converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK [2] 16915 converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK [3] 16916 converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK [4] 16917 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_densmso.F to 32-bit integers for BLAS/LAPACK [1] 16920 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F to 32-bit integers for BLAS/LAPACK [1] 17654 converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK [2] 17655 converting dft_genspm.F to 32-bit integers for BLAS/LAPACK [3] 17656 converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK [4] 17657 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_get2eri.F to 32-bit integers for BLAS/LAPACK [1] 17658 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in xc cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/src/config/64_to_32 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F converting xc_fitv.F to 32-bit integers for BLAS/LAPACK [1] 18397 converting xc_dirac.F to 32-bit integers for BLAS/LAPACK [2] 18398 converting xc_bnl.F to 32-bit integers for BLAS/LAPACK [3] 18399 converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK [4] 18400 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_tabcd.F to 32-bit integers for BLAS/LAPACK [1] 18401 converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK [2] 18402 converting xc_oep.F to 32-bit integers for BLAS/LAPACK [3] 18403 converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK [4] 18404 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_sic.F to 32-bit integers for BLAS/LAPACK [1] 18405 converting localize_sic.F to 32-bit integers for BLAS/LAPACK [2] 18406 converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK [3] 18407 converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK [4] 18408 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_fd.F to 32-bit integers for BLAS/LAPACK [1] 18409 converting xc_optc.F to 32-bit integers for BLAS/LAPACK [2] 18410 converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK [3] 18411 converting scat_mat.F to 32-bit integers for BLAS/LAPACK [4] 18412 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_replicated.F to 32-bit integers for BLAS/LAPACK [1] 18413 converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK [2] 18414 converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK [3] 18415 converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK [4] 18416 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in util /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ga_chol_seq.F ga_inv_seq.F converting ga_chol_seq.F to 32-bit integers for BLAS/LAPACK [1] 19146 converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK [2] 19147 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in grid /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F to 32-bit integers for BLAS/LAPACK [1] 19877 converting grid_beckew.F to 32-bit integers for BLAS/LAPACK [2] 19878 converting grid_file.F to 32-bit integers for BLAS/LAPACK [3] 19879 converting grid_setspac.F to 32-bit integers for BLAS/LAPACK [4] 19880 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_quadv0a.F to 32-bit integers for BLAS/LAPACK [1] 19881 converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK [2] 19882 converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK [3] 19883 converting grid_tasks.F to 32-bit integers for BLAS/LAPACK [4] 19884 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_pscreen.F to 32-bit integers for BLAS/LAPACK [1] 19885 converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK [2] 19886 converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK [3] 19887 converting grid_sympts.F to 32-bit integers for BLAS/LAPACK [4] 19888 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_ssw.F to 32-bit integers for BLAS/LAPACK [1] 19889 converting grid_finpts.F to 32-bit integers for BLAS/LAPACK [2] 19890 converting grid_ylm.F to 32-bit integers for BLAS/LAPACK [3] 19891 converting grid_eaf.F to 32-bit integers for BLAS/LAPACK [4] 19892 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in dftgrad /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F converting dftg_cdfit.F to 32-bit integers for BLAS/LAPACK [1] 20623 converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK [2] 20624 converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK [3] 20625 converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK [4] 20626 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_gradients.F to 32-bit integers for BLAS/LAPACK [1] 20627 converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK [2] 20628 converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK [3] 20629 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in lr_tddft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F converting tddft_diagon.F to 32-bit integers for BLAS/LAPACK [1] 21359 converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK [2] 21360 converting tddft_analysis.F to 32-bit integers for BLAS/LAPACK [3] 21361 converting tddft_restart.F to 32-bit integers for BLAS/LAPACK [4] 21362 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in lr_tddft_grad /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F tddft_grad_compute_g.F converting tddft_grad_gxc.F to 32-bit integers for BLAS/LAPACK [1] 22092 converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK [2] 22093 converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK [3] 22094 converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK [4] 22095 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK [1] 22096 converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK [2] 22097 converting tddft_grad_compute_g.F to 32-bit integers for BLAS/LAPACK [3] 22098 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in zora /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F converting dft_zora_NMR.F to 32-bit integers for BLAS/LAPACK [1] 22828 converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK [2] 22829 converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK [3] 22830 converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK [4] 22831 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_zora_Hyperfine.F to 32-bit integers for BLAS/LAPACK [1] 22832 converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK [2] 22833 converting dft_zora_utils_so.F to 32-bit integers for BLAS/LAPACK [3] 22834 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in spec cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory 64_to_32 : no conversion necessary Making 64_to_32 in rt_tddft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in matutils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 zmat_diag.F zmat_inv.F converting zmat_diag.F to 32-bit integers for BLAS/LAPACK [1] 25028 converting zmat_inv.F to 32-bit integers for BLAS/LAPACK [2] 25029 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in rtutils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in input /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in init /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in canorg /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in propagators /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in closedshell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in openshell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary 64_to_32 : no conversion necessary 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F to 32-bit integers for BLAS/LAPACK [1] 30877 converting eval_3ci.F to 32-bit integers for BLAS/LAPACK [2] 30878 converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK [3] 30879 converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK [4] 30880 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xf3ci_s12b.F to 32-bit integers for BLAS/LAPACK [1] 30881 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F to 32-bit integers for BLAS/LAPACK [1] 31613 converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK [2] 31614 converting stpr_partit.F to 32-bit integers for BLAS/LAPACK [3] 31615 converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK [4] 31616 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F converting opt_drv.F to 32-bit integers for BLAS/LAPACK [1] 32465 converting oniom.F to 32-bit integers for BLAS/LAPACK [2] 32466 converting lbfgs.F to 32-bit integers for BLAS/LAPACK [3] 32467 converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK [4] 32468 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lbfgs-b_driver.F to 32-bit integers for BLAS/LAPACK [1] 32469 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in deloc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in mepgs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 mepgs_drv.F converting mepgs_drv.F to 32-bit integers for BLAS/LAPACK [1] 34995 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in tropt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 tropt_drv.F converting tropt_drv.F to 32-bit integers for BLAS/LAPACK [1] 36113 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in neb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F to 32-bit integers for BLAS/LAPACK [1] 37041 converting neb_utils.F to 32-bit integers for BLAS/LAPACK [2] 37042 converting bead_list.F to 32-bit integers for BLAS/LAPACK [3] 37043 converting neb_input.F to 32-bit integers for BLAS/LAPACK [4] 37044 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in string /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 string.F converting string.F to 32-bit integers for BLAS/LAPACK [1] 37858 [1] Done ( $perlexe $perlscript $file ) 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/src/config/64_to_32 ccsd_itm.F ccsd_itm_omp.F ccsd_t2pm.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_idx1.F ccsd_idx2.F ccsd_idx34.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_nb.F ccsd_trpdrv_omp.F ccsd_trpdrv_omp_mixprec.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.F ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F moints_trp.F converting ccsd_itm.F to 32-bit integers for BLAS/LAPACK [1] 39458 converting ccsd_itm_omp.F to 32-bit integers for BLAS/LAPACK [2] 39459 converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK [3] 39460 converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK [4] 39461 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK [1] 39481 converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK [2] 39482 converting ccsd_idx1.F to 32-bit integers for BLAS/LAPACK [3] 39483 converting ccsd_idx2.F to 32-bit integers for BLAS/LAPACK [4] 39484 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_idx34.F to 32-bit integers for BLAS/LAPACK [1] 39513 converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK [2] 39514 converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK [3] 39515 converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK [4] 39516 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_trpdrv_nb.F to 32-bit integers for BLAS/LAPACK [1] 39533 converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK [2] 39534 converting ccsd_trpdrv_omp_mixprec.F to 32-bit integers for BLAS/LAPACK [3] 39535 converting moints_trp.F to 32-bit integers for BLAS/LAPACK [4] 39536 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_zvecs.F to 32-bit integers for BLAS/LAPACK [1] 39555 converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK [2] 39556 converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK [3] 39557 converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK [4] 39558 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_zsig1.F to 32-bit integers for BLAS/LAPACK [1] 39585 converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK [2] 39587 converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK [3] 39588 converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK [4] 39589 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting geaxpy.F to 32-bit integers for BLAS/LAPACK [1] 39617 converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK [2] 39618 converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK [3] 39619 converting aoccsd2.F to 32-bit integers for BLAS/LAPACK [4] 39620 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting moints_trp.F to 32-bit integers for BLAS/LAPACK [1] 39659 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F to 32-bit integers for BLAS/LAPACK [1] 40396 converting vib_hmass.F to 32-bit integers for BLAS/LAPACK [2] 40397 converting vib_intense.F to 32-bit integers for BLAS/LAPACK [3] 40398 converting vib_nmass.F to 32-bit integers for BLAS/LAPACK [4] 40399 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vib_tors.F to 32-bit integers for BLAS/LAPACK [1] 40400 converting vib_vib.F to 32-bit integers for BLAS/LAPACK [2] 40401 converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK [3] 40402 converting vib_istep.F to 32-bit integers for BLAS/LAPACK [4] 40403 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vib_thermo.F to 32-bit integers for BLAS/LAPACK [1] 40404 converting vib_phonon.F to 32-bit integers for BLAS/LAPACK [2] 40405 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F converting hmat.F to 32-bit integers for BLAS/LAPACK [1] 41137 converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK [2] 41138 converting mcscf_b.F to 32-bit integers for BLAS/LAPACK [3] 41139 converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK [4] 41140 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mcscf_fock.F to 32-bit integers for BLAS/LAPACK [1] 41141 converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK [2] 41142 converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK [3] 41143 converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK [4] 41144 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in detci /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 detci_aux.F detci_dens.F detci_diag.F detci_sigma.F detci_spin.F converting detci_aux.F to 32-bit integers for BLAS/LAPACK [1] 41874 converting detci_dens.F to 32-bit integers for BLAS/LAPACK [2] 41875 converting detci_diag.F to 32-bit integers for BLAS/LAPACK [3] 41876 converting detci_sigma.F to 32-bit integers for BLAS/LAPACK [4] 41877 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting detci_spin.F to 32-bit integers for BLAS/LAPACK [1] 41878 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 esp_esp.F esp_denmat.F converting esp_esp.F to 32-bit integers for BLAS/LAPACK [1] 43341 converting esp_denmat.F to 32-bit integers for BLAS/LAPACK [2] 43342 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 hess_blas.F converting hess_blas.F to 32-bit integers for BLAS/LAPACK [1] 44076 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in analytic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F to 32-bit integers for BLAS/LAPACK [1] 44806 converting hess_restart.F to 32-bit integers for BLAS/LAPACK [2] 44807 converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK [3] 44808 converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK [4] 44809 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting twodd_cont.F to 32-bit integers for BLAS/LAPACK [1] 44810 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F to 32-bit integers for BLAS/LAPACK [1] 45542 converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK [2] 45543 converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK [3] 45544 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 davids.F fcidim.F makeh.F makehs.F makhdb.F tester.F selci_hpp.F converting davids.F to 32-bit integers for BLAS/LAPACK [1] 46278 converting fcidim.F to 32-bit integers for BLAS/LAPACK [2] 46279 converting makeh.F to 32-bit integers for BLAS/LAPACK [3] 46280 converting makehs.F to 32-bit integers for BLAS/LAPACK [4] 46281 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting makhdb.F to 32-bit integers for BLAS/LAPACK [1] 46282 converting tester.F to 32-bit integers for BLAS/LAPACK [2] 46283 converting selci_hpp.F to 32-bit integers for BLAS/LAPACK [3] 46284 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 dplot.F dmat.F create_contour.F get_charges.F dplot_dos.F converting dplot.F to 32-bit integers for BLAS/LAPACK [1] 47014 converting dmat.F to 32-bit integers for BLAS/LAPACK [2] 47015 converting create_contour.F to 32-bit integers for BLAS/LAPACK [3] 47016 converting get_charges.F to 32-bit integers for BLAS/LAPACK [4] 47017 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dplot_dos.F to 32-bit integers for BLAS/LAPACK [1] 47018 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F to 32-bit integers for BLAS/LAPACK [1] 47748 converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK [2] 47749 converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK [3] 47750 converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK [4] 47751 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp2_wai_uhf.F to 32-bit integers for BLAS/LAPACK [1] 47752 converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK [2] 47753 converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK [3] 47754 converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK [4] 47755 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F converting hnd_elfcon.F to 32-bit integers for BLAS/LAPACK [1] 49215 converting wnbofile.F to 32-bit integers for BLAS/LAPACK [2] 49216 converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK [3] 49217 converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK [4] 49218 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_mulken.F to 32-bit integers for BLAS/LAPACK [1] 49219 converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK [2] 49220 converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK [3] 49221 converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK [4] 49222 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting giaofock.F to 32-bit integers for BLAS/LAPACK [1] 49223 converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK [2] 49224 converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK [3] 49225 converting raman.F to 32-bit integers for BLAS/LAPACK [4] 49226 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_efgmap_z4.F to 32-bit integers for BLAS/LAPACK [1] 49227 converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK [2] 49228 converting wshldfile.F to 32-bit integers for BLAS/LAPACK [3] 49229 converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK [4] 49230 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting whypfile.F to 32-bit integers for BLAS/LAPACK [1] 49232 converting wefgfile.F to 32-bit integers for BLAS/LAPACK [2] 49233 converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK [3] 49234 converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK [4] 49235 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wgshiftfile.F to 32-bit integers for BLAS/LAPACK [1] 49236 converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK [2] 49237 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in nwpwlib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in Parallel /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 Parallel-mpi.F Parallel.F converting Parallel-mpi.F to 32-bit integers for BLAS/LAPACK [1] 52155 converting Parallel.F to 32-bit integers for BLAS/LAPACK [2] 52156 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in D1dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 D1dB-mpi.F Dne.F skew.F Dne_omp.F Dnex.F converting D1dB-mpi.F to 32-bit integers for BLAS/LAPACK [1] 52886 converting Dne.F to 32-bit integers for BLAS/LAPACK [2] 52887 converting skew.F to 32-bit integers for BLAS/LAPACK [3] 52888 converting Dne_omp.F to 32-bit integers for BLAS/LAPACK [4] 52889 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting Dnex.F to 32-bit integers for BLAS/LAPACK [1] 52890 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in D3dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 D3dB-new.F D3dB_pfft.F D3dB-mpi.F D3dB-tcgmsg.F converting D3dB-new.F to 32-bit integers for BLAS/LAPACK [1] 53621 converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK [2] 53622 converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK [3] 53623 converting D3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK [4] 53624 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in Pneb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 Pneb.F converting Pneb.F to 32-bit integers for BLAS/LAPACK [1] 54512 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in K1dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 K1dB-mpi.F converting K1dB-mpi.F to 32-bit integers for BLAS/LAPACK [1] 55243 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in C3dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F to 32-bit integers for BLAS/LAPACK [1] 56094 converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK [2] 56095 converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK [3] 56096 converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK [4] 56097 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in DMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F to 32-bit integers for BLAS/LAPACK [1] 56829 converting DMatrix.F to 32-bit integers for BLAS/LAPACK [2] 56830 converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK [3] 56831 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in CMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F to 32-bit integers for BLAS/LAPACK [1] 57830 converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK [2] 57831 converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK [3] 57832 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in TMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 dgemm_omp.F ffm_multiply_omp_group.F converting dgemm_omp.F to 32-bit integers for BLAS/LAPACK [1] 58628 converting ffm_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK [2] 58629 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in control /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 control.F converting control.F to 32-bit integers for BLAS/LAPACK [1] 59580 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in lattice /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f to 32-bit integers for BLAS/LAPACK [1] 60535 converting pack.F to 32-bit integers for BLAS/LAPACK [2] 60536 converting G_init.F to 32-bit integers for BLAS/LAPACK [3] 60537 converting cram.F to 32-bit integers for BLAS/LAPACK [4] 60538 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_G_init.F to 32-bit integers for BLAS/LAPACK [1] 60599 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in io /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F converting ion.F to 32-bit integers for BLAS/LAPACK [1] 62423 converting fcoord.f to 32-bit integers for BLAS/LAPACK [2] 62424 converting incell1.f to 32-bit integers for BLAS/LAPACK [3] 62425 converting incell2.f to 32-bit integers for BLAS/LAPACK [4] 62426 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting incell3.f to 32-bit integers for BLAS/LAPACK [1] 62483 converting unfold.f to 32-bit integers for BLAS/LAPACK [2] 62484 converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK [3] 62485 converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK [4] 62486 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ion_FixIon.F to 32-bit integers for BLAS/LAPACK [1] 62487 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in shake /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 molecular.F converting molecular.F to 32-bit integers for BLAS/LAPACK [1] 63217 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in pseudopotential /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in paw_atom /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary 64_to_32 : no conversion necessary Making 64_to_32 in utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F converting auto_corr.F to 32-bit integers for BLAS/LAPACK [1] 65411 converting matrix.f to 32-bit integers for BLAS/LAPACK [2] 65412 converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK [3] 65413 converting kerker_G.F to 32-bit integers for BLAS/LAPACK [4] 65414 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cell.F to 32-bit integers for BLAS/LAPACK [1] 65415 converting cellgeometry.F to 32-bit integers for BLAS/LAPACK [2] 65416 converting nwpw_list.F to 32-bit integers for BLAS/LAPACK [3] 65417 converting cpsi_data.F to 32-bit integers for BLAS/LAPACK [4] 65418 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psi_data.F to 32-bit integers for BLAS/LAPACK [1] 65419 converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK [2] 65420 converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK [3] 65421 converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK [4] 65422 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting generate_unfolded_xyz.F to 32-bit integers for BLAS/LAPACK [1] 65423 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F nwpw_compcharge2.F converting nwpw_gaunt.F to 32-bit integers for BLAS/LAPACK [1] 945 converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK [2] 946 converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK [3] 947 converting nwpw_compcharge2.F to 32-bit integers for BLAS/LAPACK [4] 948 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in unitcell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in brillouin_zone /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in fractional /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 fractional.F frac_occ.F converting fractional.F to 32-bit integers for BLAS/LAPACK [1] 3144 converting frac_occ.F to 32-bit integers for BLAS/LAPACK [2] 3145 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in linesearch /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in timing /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 nwpw_timing.F converting nwpw_timing.F to 32-bit integers for BLAS/LAPACK [1] 4609 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in ewald /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ewald.F ewald_strfac.F converting ewald.F to 32-bit integers for BLAS/LAPACK [1] 5340 converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK [2] 5341 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in thermostats /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 nose-hoover.F converting nose-hoover.F to 32-bit integers for BLAS/LAPACK [1] 6071 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in MetaDynamics /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 metadynamics.F converting metadynamics.F to 32-bit integers for BLAS/LAPACK [1] 6801 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in TAMD /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 tamd.F converting tamd.F to 32-bit integers for BLAS/LAPACK [1] 7531 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in FMM /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 fmm.F converting fmm.F to 32-bit integers for BLAS/LAPACK [1] 8261 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in md_xs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 md_xs.F converting md_xs.F to 32-bit integers for BLAS/LAPACK [1] 8991 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in FEFF6L /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in nwpwxc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 nwpwxc_vdw3a.F nwpwxc_vdw3c.F nwpwxc_eval.F nwpwxc_c_vwn_a.fh converting nwpwxc_vdw3a.F to 32-bit integers for BLAS/LAPACK [1] 10451 converting nwpwxc_vdw3c.F to 32-bit integers for BLAS/LAPACK [2] 10452 converting nwpwxc_eval.F to 32-bit integers for BLAS/LAPACK [3] 10453 converting nwpwxc_c_vwn_a.fh to 32-bit integers for BLAS/LAPACK [4] 10454 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 64_to_32 : no conversion necessary Making 64_to_32 in libraryps /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in pspw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F converting psi.F to 32-bit integers for BLAS/LAPACK [1] 13392 converting geodesic.F to 32-bit integers for BLAS/LAPACK [2] 13393 converting geodesic2.F to 32-bit integers for BLAS/LAPACK [3] 13394 converting Grassman.F to 32-bit integers for BLAS/LAPACK [4] 13395 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dipole.F to 32-bit integers for BLAS/LAPACK [1] 13397 converting psi_history.F to 32-bit integers for BLAS/LAPACK [2] 13398 converting skew.F to 32-bit integers for BLAS/LAPACK [3] 13399 converting geodesic1.F to 32-bit integers for BLAS/LAPACK [4] 13400 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting berry_phase_pol.F to 32-bit integers for BLAS/LAPACK [1] 13401 converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK [2] 13402 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 electron.F psi_H.F psi_Hv4.F converting electron.F to 32-bit integers for BLAS/LAPACK [1] 14142 converting psi_H.F to 32-bit integers for BLAS/LAPACK [2] 14143 converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK [3] 14144 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ke.F converting ke.F to 32-bit integers for BLAS/LAPACK [1] 14876 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 coulomb.F coulomb2.F coulomb_screened.F coulomb_screened_small.F converting coulomb.F to 32-bit integers for BLAS/LAPACK [1] 15606 converting coulomb2.F to 32-bit integers for BLAS/LAPACK [2] 15607 converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK [3] 15608 converting coulomb_screened_small.F to 32-bit integers for BLAS/LAPACK [4] 15609 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in exchange-correlation /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F v_mexc.F converting v_bwexc_euv.F to 32-bit integers for BLAS/LAPACK [1] 16342 converting v_bwexc.F to 32-bit integers for BLAS/LAPACK [2] 16343 converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK [3] 16344 converting v_mexc.F to 32-bit integers for BLAS/LAPACK [4] 16345 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in sic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_sic.F converting pspw_sic.F to 32-bit integers for BLAS/LAPACK [1] 17076 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_hfx.F pspw_hfx_localized.F converting pspw_hfx.F to 32-bit integers for BLAS/LAPACK [1] 17808 converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK [2] 17809 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in psp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F to 32-bit integers for BLAS/LAPACK [1] 19269 converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK [2] 19270 converting paw.F to 32-bit integers for BLAS/LAPACK [3] 19271 converting semicore.F to 32-bit integers for BLAS/LAPACK [4] 19272 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting semicore_force.F to 32-bit integers for BLAS/LAPACK [1] 19273 converting psp_stress.F to 32-bit integers for BLAS/LAPACK [2] 19274 converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK [3] 19275 converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK [4] 19276 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psp_U.F to 32-bit integers for BLAS/LAPACK [1] 19277 converting psp_ld.F to 32-bit integers for BLAS/LAPACK [2] 19278 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F to 32-bit integers for BLAS/LAPACK [1] 20008 converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK [2] 20009 converting pspw_diis.F to 32-bit integers for BLAS/LAPACK [3] 20010 converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK [4] 20011 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pspw_rmmdiis.F to 32-bit integers for BLAS/LAPACK [1] 20012 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in aorbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 aorbs.F converting aorbs.F to 32-bit integers for BLAS/LAPACK [1] 20742 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in truncating_function /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 truncating_function.F converting truncating_function.F to 32-bit integers for BLAS/LAPACK [1] 21472 [1] Done ( $perlexe $perlscript $file ) 64_to_32 : no conversion necessary Making 64_to_32 in kbpp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f to 32-bit integers for BLAS/LAPACK [1] 22204 converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK [2] 22205 converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK [3] 22206 converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK [4] 22207 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_stress.F to 32-bit integers for BLAS/LAPACK [1] 22208 converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK [2] 22209 converting HGH_local.F to 32-bit integers for BLAS/LAPACK [3] 22210 converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 22211 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting Tesseral.F to 32-bit integers for BLAS/LAPACK [1] 22212 converting hghppv1.F to 32-bit integers for BLAS/LAPACK [2] 22213 converting pawppv1.F to 32-bit integers for BLAS/LAPACK [3] 22214 converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK [4] 22215 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3_new.f to 32-bit integers for BLAS/LAPACK [1] 22216 converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 22217 converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK [3] 22218 converting junk.f to 32-bit integers for BLAS/LAPACK [4] 22219 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3_ray.f to 32-bit integers for BLAS/LAPACK [1] 22222 converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 22223 converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 22224 converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK [4] 22225 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3e.f to 32-bit integers for BLAS/LAPACK [1] 22226 converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK [2] 22227 converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK [3] 22228 converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK [4] 22229 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_e_stress.F to 32-bit integers for BLAS/LAPACK [1] 22230 converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 22231 converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 22232 converting kbppv3d.F to 32-bit integers for BLAS/LAPACK [4] 22233 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in makepsi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F makenodefunctions.F pspw_wannier2.F converting wvfnc_init.F to 32-bit integers for BLAS/LAPACK [1] 22963 converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK [2] 22964 converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK [3] 22965 converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [4] 22966 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wvfnc_new.F to 32-bit integers for BLAS/LAPACK [1] 22967 converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK [2] 22968 converting expand_cell.F to 32-bit integers for BLAS/LAPACK [3] 22969 converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK [4] 22970 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting band_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK [1] 22971 converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK [2] 22972 converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK [3] 22973 converting makenodefunctions.F to 32-bit integers for BLAS/LAPACK [4] 22974 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pspw_wannier2.F to 32-bit integers for BLAS/LAPACK [1] 22975 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f psi_lmbda_omp.F mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F psi_lmbda_omp.F converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK [1] 23705 converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK [2] 23706 converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK [3] 23707 converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK [4] 23708 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psi_lmbda_paw.f to 32-bit integers for BLAS/LAPACK [1] 23709 converting inner_loop.F to 32-bit integers for BLAS/LAPACK [2] 23710 converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK [3] 23711 converting cpsdv5.F to 32-bit integers for BLAS/LAPACK [4] 23712 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cpmdv5.F to 32-bit integers for BLAS/LAPACK [1] 23713 converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK [2] 23714 converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK [3] 23715 converting mmsdv1.F to 32-bit integers for BLAS/LAPACK [4] 23716 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK [1] 23717 converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK [2] 23718 converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK [3] 23719 converting mm_loop.F to 32-bit integers for BLAS/LAPACK [4] 23720 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pspw_et.F to 32-bit integers for BLAS/LAPACK [1] 23723 converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK [2] 23724 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cgsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgsd_noit_energy.F bfgsminimize.F converting cgsdv5.F to 32-bit integers for BLAS/LAPACK [1] 24573 converting cgmdv5.F to 32-bit integers for BLAS/LAPACK [2] 24574 converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK [3] 24575 converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK [4] 24576 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cgsd_energy.F to 32-bit integers for BLAS/LAPACK [1] 24577 converting bybminimize.F to 32-bit integers for BLAS/LAPACK [2] 24578 converting bybminimize2.F to 32-bit integers for BLAS/LAPACK [3] 24579 converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK [4] 24580 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cgminimize.F to 32-bit integers for BLAS/LAPACK [1] 24581 converting mmmdv1.F to 32-bit integers for BLAS/LAPACK [2] 24582 converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK [3] 24583 converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK [4] 24584 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting md_energy.F to 32-bit integers for BLAS/LAPACK [1] 24585 converting cgminimize2.F to 32-bit integers for BLAS/LAPACK [2] 24586 converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK [3] 24587 converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK [4] 24588 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in analysis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F to 32-bit integers for BLAS/LAPACK [1] 25495 converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK [2] 25496 converting analysis.F to 32-bit integers for BLAS/LAPACK [3] 25497 converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK [4] 25498 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting orb_pop_aorb.F to 32-bit integers for BLAS/LAPACK [1] 25614 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in APC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_APC.F pspw_Efield.F pspw_Efield_grad.F converting pspw_APC.F to 32-bit integers for BLAS/LAPACK [1] 26348 converting pspw_Efield.F to 32-bit integers for BLAS/LAPACK [2] 26349 converting pspw_Efield_grad.F to 32-bit integers for BLAS/LAPACK [3] 26350 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F to 32-bit integers for BLAS/LAPACK [1] 27236 converting stress_fd.F to 32-bit integers for BLAS/LAPACK [2] 27237 converting force_fd.F to 32-bit integers for BLAS/LAPACK [3] 27238 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in qmmm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_qmmm.F converting pspw_qmmm.F to 32-bit integers for BLAS/LAPACK [1] 28149 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in pspw_LJ /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_LJ.F converting pspw_LJ.F to 32-bit integers for BLAS/LAPACK [1] 28946 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in pspw_Q /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_Q.F converting pspw_Q.F to 32-bit integers for BLAS/LAPACK [1] 29844 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in pspw_Pair /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_Pair.F converting pspw_Pair.F to 32-bit integers for BLAS/LAPACK [1] 30694 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in mmq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 mmq.F converting mmq.F to 32-bit integers for BLAS/LAPACK [1] 31425 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in charge /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_charge.F pspw_cosmo.F converting pspw_charge.F to 32-bit integers for BLAS/LAPACK [1] 32157 converting pspw_cosmo.F to 32-bit integers for BLAS/LAPACK [2] 32158 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_dplot.F ELF.F converting pspw_dplot.F to 32-bit integers for BLAS/LAPACK [1] 32888 converting ELF.F to 32-bit integers for BLAS/LAPACK [2] 32889 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in lcao /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F converting lcao_diis_dn.F to 32-bit integers for BLAS/LAPACK [1] 33619 converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK [2] 33620 converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK [3] 33621 converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK [4] 33622 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lcao_generate_vhxcmatrix.F to 32-bit integers for BLAS/LAPACK [1] 33623 converting lcao_diis.F to 32-bit integers for BLAS/LAPACK [2] 33624 converting lcaov1.F to 32-bit integers for BLAS/LAPACK [3] 33625 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 64_to_32 : no conversion necessary Making 64_to_32 in paw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in paw_geometry /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_ma /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_utils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 integrate.F converting integrate.F to 32-bit integers for BLAS/LAPACK [1] 36545 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_basis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_proj /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_proj.F converting paw_proj.F to 32-bit integers for BLAS/LAPACK [1] 38006 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_matrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_ovlp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F to 32-bit integers for BLAS/LAPACK [1] 39467 converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK [2] 39468 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_comp_charge /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_special_functions /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_gaunt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_kinetic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_vloc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_vloc.F converting paw_vloc.F to 32-bit integers for BLAS/LAPACK [1] 43121 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_ion_potential /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_core /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_hartree /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F to 32-bit integers for BLAS/LAPACK [1] 45313 converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK [2] 45314 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_comp_pot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in paw_mult /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F to 32-bit integers for BLAS/LAPACK [1] 46773 converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK [2] 46774 converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK [3] 46775 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_nonlocal /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_nonlocal.F converting paw_nonlocal.F to 32-bit integers for BLAS/LAPACK [1] 47507 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_density /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_density.F converting paw_density.F to 32-bit integers for BLAS/LAPACK [1] 48238 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_xc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_xc.F converting paw_xc.F to 32-bit integers for BLAS/LAPACK [1] 48971 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_force /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_force.F converting paw_force.F to 32-bit integers for BLAS/LAPACK [1] 49703 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F to 32-bit integers for BLAS/LAPACK [1] 50440 converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK [2] 50441 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in paw_psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F to 32-bit integers for BLAS/LAPACK [1] 51177 converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK [2] 51178 converting paw_electron.F to 32-bit integers for BLAS/LAPACK [3] 51179 converting paw_psi2.F to 32-bit integers for BLAS/LAPACK [4] 51180 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F to 32-bit integers for BLAS/LAPACK [1] 51918 converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK [2] 51919 converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK [3] 51920 converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK [4] 51921 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cgsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F to 32-bit integers for BLAS/LAPACK [1] 52659 converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK [2] 52660 converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [3] 52661 converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK [4] 52662 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F to 32-bit integers for BLAS/LAPACK [1] 53400 converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK [2] 53401 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 64_to_32 : no conversion necessary Making 64_to_32 in band /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in minimizer /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F to 32-bit integers for BLAS/LAPACK [1] 54872 converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [2] 54873 converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK [3] 54874 converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK [4] 54875 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_bybminimize2.F to 32-bit integers for BLAS/LAPACK [1] 54876 converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK [2] 54877 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in structure /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F to 32-bit integers for BLAS/LAPACK [1] 55614 converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK [2] 55615 converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK [3] 55616 converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK [4] 55617 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F to 32-bit integers for BLAS/LAPACK [1] 56356 converting band_cpmd.F to 32-bit integers for BLAS/LAPACK [2] 56357 converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK [3] 56358 converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK [4] 56359 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F to 32-bit integers for BLAS/LAPACK [1] 57095 converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK [2] 57096 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in kbpp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F to 32-bit integers for BLAS/LAPACK [1] 57828 converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK [2] 57829 converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK [3] 57830 converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK [4] 57831 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [1] 57832 converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK [2] 57833 converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK [3] 57834 converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK [4] 57835 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK [1] 57836 converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK [2] 57837 converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [3] 57838 converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK [4] 57839 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting Spherical_band.F to 32-bit integers for BLAS/LAPACK [1] 57840 converting hghpp_band.F to 32-bit integers for BLAS/LAPACK [2] 57841 converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK [3] 57842 converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK [4] 57843 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rkbpp_band.F to 32-bit integers for BLAS/LAPACK [1] 57844 converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK [2] 57845 converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK [3] 57846 converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK [4] 57847 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [1] 57848 converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [2] 57849 converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK [3] 57850 converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 57851 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [1] 57852 converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK [2] 57853 converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK [3] 57854 converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK [4] 57855 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_stress_local.F to 32-bit integers for BLAS/LAPACK [1] 57856 converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK [2] 57857 converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 57858 converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 57859 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [1] 57860 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in makepsi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F converting pspw_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK [1] 58591 converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [2] 58592 converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK [3] 58593 converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [4] 58594 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in cpsp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F cpsp_U.F converting cpsp.F to 32-bit integers for BLAS/LAPACK [1] 60077 converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK [2] 60078 converting c_semicore.F to 32-bit integers for BLAS/LAPACK [3] 60079 converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK [4] 60080 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_semicore_force_a.F to 32-bit integers for BLAS/LAPACK [1] 60081 converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK [2] 60082 converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK [3] 60083 converting cpsp_U.F to 32-bit integers for BLAS/LAPACK [4] 60084 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 cke.F converting cke.F to 32-bit integers for BLAS/LAPACK [1] 60814 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F to 32-bit integers for BLAS/LAPACK [1] 61546 converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK [2] 61547 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F to 32-bit integers for BLAS/LAPACK [1] 62281 converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK [2] 62282 converting cpsi_H.F to 32-bit integers for BLAS/LAPACK [3] 62283 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 cpsi.F c_geodesic.F cpsi_lmbda.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F converting cpsi.F to 32-bit integers for BLAS/LAPACK [1] 63014 converting c_geodesic.F to 32-bit integers for BLAS/LAPACK [2] 63015 converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK [3] 63016 converting BGrsm.F to 32-bit integers for BLAS/LAPACK [4] 63017 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cpsi_KS.F to 32-bit integers for BLAS/LAPACK [1] 63020 converting cpsi_read.F to 32-bit integers for BLAS/LAPACK [2] 63021 converting cpsi_write.F to 32-bit integers for BLAS/LAPACK [3] 63022 converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK [4] 63023 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting v_cpsi_write.F to 32-bit integers for BLAS/LAPACK [1] 63026 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 band_hfx.F converting band_hfx.F to 32-bit integers for BLAS/LAPACK [1] 63756 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F to 32-bit integers for BLAS/LAPACK [1] 64488 converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK [2] 64489 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in borbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 borbs.F borb_projector.F converting borbs.F to 32-bit integers for BLAS/LAPACK [1] 65219 converting borb_projector.F to 32-bit integers for BLAS/LAPACK [2] 65220 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 64_to_32 : no conversion necessary Making 64_to_32 in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 band_dplot.F converting band_dplot.F to 32-bit integers for BLAS/LAPACK [1] 742 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in analysis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 band_analysis.F orb_pop_borb.F converting band_analysis.F to 32-bit integers for BLAS/LAPACK [1] 1475 converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK [2] 1476 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 64_to_32 : no conversion necessary Making 64_to_32 in ofpw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in minimizer /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F to 32-bit integers for BLAS/LAPACK [1] 2942 converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [2] 2943 converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK [3] 2944 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F to 32-bit integers for BLAS/LAPACK [1] 3674 converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK [2] 3675 converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK [3] 3676 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in chi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 chi_H.F chi_Hv4.F converting chi_H.F to 32-bit integers for BLAS/LAPACK [1] 5867 converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK [2] 5868 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 v_thomasfermi.F converting v_thomasfermi.F to 32-bit integers for BLAS/LAPACK [1] 6601 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in WGC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 wgc.F converting wgc.F to 32-bit integers for BLAS/LAPACK [1] 7333 [1] Done ( $perlexe $perlscript $file ) 64_to_32 : no conversion necessary 64_to_32 : no conversion necessary 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in pfft1.0 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making 64_to_32 in fftpack /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in pfft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 drain.F fillup.F converting drain.F to 32-bit integers for BLAS/LAPACK [1] 10254 converting fillup.F to 32-bit integers for BLAS/LAPACK [2] 10255 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 64_to_32 : no conversion necessary Making 64_to_32 in pfftwrap /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/python2.7 -I/usr/include -I/usr/Include -I/usr -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 nwc_gen.F nwc_s2.F nwc_s1.F converting nwc_gen.F to 32-bit integers for BLAS/LAPACK [1] 15380 converting nwc_s2.F to 32-bit integers for BLAS/LAPACK [2] 15381 converting nwc_s1.F to 32-bit integers for BLAS/LAPACK [3] 15382 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 vscf.F converting vscf.F to 32-bit integers for BLAS/LAPACK [1] 16115 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 task_qmmm_gradient.F qmmm_lbfgsb.F mm_interface.F converting task_qmmm_gradient.F to 32-bit integers for BLAS/LAPACK [1] 16845 converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK [2] 16846 converting mm_interface.F to 32-bit integers for BLAS/LAPACK [3] 16847 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 et_dgefa.F converting et_dgefa.F to 32-bit integers for BLAS/LAPACK [1] 18309 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I./include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 tce_mbpt2.F tce_residual_t1.F tce_residual_t2.F tce_residual_t3.F tce_residual_t4.F tce_residual_t3a.F tce_ao2e.F tce_mo2e.F tce_guess_t1.F tce_mod1.F tce_moq1.F tce_eom_xdiagon.F dscalfile.F tce_eom_ydiagon.F tce_ao1e.F tce_aod1.F tce_aoq1.F tce_mo1e.F tce_ao_mp1.F tce_mo_mp1.F tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_2emet3.F tce_mo2e_2emet3_n5.F tce_mo2e_2emet4.F tce_mo2e_2emet4_n5.F tce_mo2e_disk_2eorb.F tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F tce_diagnose_t1.F ddotfile.F tce_ao2e_cholesky.F tce_energy.F ccsd_lr_alpha.F tensor_read_write.F tce_diis_act.F tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F ccsd_qr_beta.F daxpyfile.F tce_ao2e_cholesky_orb.F tce_ao2e_disk.F tce_ao2e_new.F tce_dgeev.F tce_mo2e_disk.F tce_mo2e_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mod1_new.F new_ga4ind_N5.F new4ind_N5_osu.F converting tce_mbpt2.F to 32-bit integers for BLAS/LAPACK [1] 19039 converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK [2] 19040 converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK [3] 19041 converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK [4] 19042 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_residual_t4.F to 32-bit integers for BLAS/LAPACK [1] 19044 converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK [2] 19045 converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK [3] 19046 converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK [4] 19047 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_guess_t1.F to 32-bit integers for BLAS/LAPACK [1] 19048 converting tce_mod1.F to 32-bit integers for BLAS/LAPACK [2] 19049 converting tce_moq1.F to 32-bit integers for BLAS/LAPACK [3] 19050 converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK [4] 19051 Could not open file: tce_moq1.F.19050 [4] Done ( $perlexe $perlscript $file ) [3] + Exit 2 ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dscalfile.F to 32-bit integers for BLAS/LAPACK [1] 19052 converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK [2] 19053 converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK [3] 19054 converting tce_aod1.F to 32-bit integers for BLAS/LAPACK [4] 19055 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_aoq1.F to 32-bit integers for BLAS/LAPACK [1] 19056 converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK [2] 19057 converting tce_ao_mp1.F to 32-bit integers for BLAS/LAPACK [3] 19058 converting tce_mo_mp1.F to 32-bit integers for BLAS/LAPACK [4] 19059 Could not open file: tce_aoq1.F.19056 Could not open file: tce_ao_mp1.F.19058 Could not open file: tce_mo_mp1.F.19059 [4] - Exit 2 ( $perlexe $perlscript $file ) [3] + Exit 2 ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Exit 2 ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_ga.F to 32-bit integers for BLAS/LAPACK [1] 19060 converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK [2] 19061 converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK [3] 19062 converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK [4] 19063 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_4s_new_patch_m2.F to 32-bit integers for BLAS/LAPACK [1] 19064 converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK [2] 19065 converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK [3] 19066 converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK [4] 19067 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_2emet4_n5.F to 32-bit integers for BLAS/LAPACK [1] 19068 converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK [2] 19069 converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK [3] 19070 converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK [4] 19071 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_hybrid_2eorb_split.F to 32-bit integers for BLAS/LAPACK [1] 19238 converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK [2] 19239 converting ddotfile.F to 32-bit integers for BLAS/LAPACK [3] 19240 converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK [4] 19241 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_energy.F to 32-bit integers for BLAS/LAPACK [1] 19246 converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK [2] 19247 converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK [3] 19248 converting tce_diis_act.F to 32-bit integers for BLAS/LAPACK [4] 19249 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_ga_act.F to 32-bit integers for BLAS/LAPACK [1] 19252 converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK [2] 19253 converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK [3] 19254 converting daxpyfile.F to 32-bit integers for BLAS/LAPACK [4] 19255 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_ao2e_cholesky_orb.F to 32-bit integers for BLAS/LAPACK [1] 19256 converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK [2] 19257 converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK [3] 19258 converting tce_dgeev.F to 32-bit integers for BLAS/LAPACK [4] 19259 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_disk.F to 32-bit integers for BLAS/LAPACK [1] 19260 converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK [2] 19261 converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK [3] 19262 converting tce_mo2e_zones_4a_disk_ga_N5.F to 32-bit integers for BLAS/LAPACK [4] 19263 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_ga_chop_N5.F to 32-bit integers for BLAS/LAPACK [1] 19264 converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK [2] 19265 converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK [3] 19266 converting new4ind_N5_osu.F to 32-bit integers for BLAS/LAPACK [4] 19267 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in diis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 tce_diis.F converting tce_diis.F to 32-bit integers for BLAS/LAPACK [1] 20726 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in diis2 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 tce_diis2.F converting tce_diis2.F to 32-bit integers for BLAS/LAPACK [1] 21456 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in gradients /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccsd_1pdm_hh_mo.F ccsd_1pdm_pp_mo.F ccsd_1pdm_hp_mo.F ccsd_1pdm_ph_mo.F ccsd_2pdm_hhhh_mo.F ccsd_2pdm_hhhp_mo.F ccsd_2pdm_hhpp_mo.F ccsd_2pdm_hphh_mo.F ccsd_2pdm_hphp_mo.F ccsd_2pdm_hppp_mo.F ccsd_2pdm_pphh_mo.F ccsd_2pdm_pphp_mo.F ccsd_2pdm_pppp_mo.F zvec_x_a_a.F zvec_x_a_b_a.F zvec_x_a_b_b.F zvec_x_a_c_a.F zvec_x_a_c_b.F zvec_x_a_d.F zvec_x_a_e_a.F zvec_x_a_e_b.F zvec_x_a_f_a.F zvec_x_a_f_b.F zvec_x_b_a_a.F zvec_x_b_a_b.F zvec_x_b_b_a.F zvec_x_b_b_b.F zvec_x_b_c.F zvec_x_b_d_a.F zvec_x_b_d_b.F zvec_x_b_e_a.F zvec_x_b_e_b.F zvec_x_b_f.F zvec_x_c_a.F zvec_x_c_b.F ccsd_zvec.F wdm_hh_mo_a.F wdm_hh_mo_b_a_a.F wdm_hh_mo_b_a_b.F wdm_hh_mo_b_b_a.F wdm_hh_mo_b_b_b.F wdm_hh_mo_c_a.F wdm_hh_mo_c_b_a.F wdm_hh_mo_c_b_b.F wdm_hh_mo_c_c_a.F wdm_hh_mo_c_c_b.F wdm_hh_mo_c_d.F wdm_hh_mo_c_e_a.F wdm_hh_mo_c_e_b.F wdm_hh_mo_c_f_a.F wdm_hh_mo_c_f_b.F wdm_hh_mo_d.F wdm_hp_mo_a.F wdm_hp_mo_b_a_a.F wdm_hp_mo_b_a_b.F wdm_hp_mo_b_b_a.F wdm_hp_mo_b_b_b.F wdm_hp_mo_b_c.F wdm_hp_mo_b_d_a.F wdm_hp_mo_b_d_b.F wdm_hp_mo_b_e_a.F wdm_hp_mo_b_e_b.F wdm_hp_mo_b_f.F wdm_hp_mo_c.F wdm_pp_mo_a.F wdm_pp_mo_b_a_a.F wdm_pp_mo_b_a_b.F wdm_pp_mo_b_b_a.F wdm_pp_mo_b_b_b.F wdm_pp_mo_b_c.F wdm_pp_mo_b_d_a.F wdm_pp_mo_b_d_b.F wdm_pp_mo_b_e_a.F wdm_pp_mo_b_e_b.F wdm_pp_mo_b_f.F eomccsd_1pdm_hh_mo.F eomccsd_1pdm_pp_mo.F tce_eomccsd_1prdm.F eomccsd_2pdm_hhhh_mo.F eomccsd_2pdm_hhhp_mo.F eomccsd_2pdm_hhpp_mo.F eomccsd_2pdm_hphh_mo.F eomccsd_2pdm_hphp_mo.F eomccsd_2pdm_hppp_mo.F eomccsd_2pdm_pphh_mo.F eomccsd_2pdm_pphp_mo.F eomccsd_2pdm_pppp_mo.F eomccsd_z1.F eomccsd_z2.F eomccsd_2pdm_pphh_zvec_mo.F eomccsd_1pdm_hp_mo.F eomccsd_1pdm_ph_mo.F eomccsd_x1_grad.F eomccsd_x2_grad.F tce_eom_xdiagon_grad.F tce_cisdt_denominator.F cisdtq_2pdm_hhhh_mo.F cisdtq_2pdm_hphp_mo.F cisdtq_2pdm_hppp_mo.F cisdtq_2pdm_pphp_mo.F cisdtq_2pdm_pppp_mo.F mp4_1pdm_pp_mo_III_b.F tce_cis_denominator.F cisd_1pdm_hh_mo.F ccsdt_2pdm_hphh_mo.F ccsdt_2pdm_hhhp_mo.F mp3_1pdm_hh_mo.F ccsdt_2pdm_pphh_mo.F tce_cisdtq_denominator.F tce_mp4_t24.F cis_x1.F cisd_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_II.F cisd_2pdm_hphp_mo.F cisdtq_1pdm_hh_mo.F cisd_2pdm_hppp_mo.F cisd_2pdm_pphp_mo.F cis_1pdm_pp_mo.F cisd_2pdm_pppp_mo.F ccsdt_1pdm_pp_mo.F cisdt_1pdm_pp_mo.F mp4_2pdm_hphh_mo.F mp2_1pdm_hh_mo.F mp4_2pdm_pphh_mo.F ccsdtq_2pdm_hphh_mo.F ccsdtq_2pdm_hhhp_mo.F cis_2pdm_hphp_mo.F tce_cisd_denominator.F ccsdtq_2pdm_pphh_mo.F cisdt_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_III_a.F ccsdtq_1pdm_pp_mo.F cisdt_2pdm_hphp_mo.F btrans1.F cisdt_2pdm_hppp_mo.F cisdt_2pdm_pphp_mo.F cisdt_2pdm_pppp_mo.F cisdtq_2pdm_hphh_mo.F cisdtq_2pdm_hhhp_mo.F wdm_hp_mo_b_d_a.F cisdtq_2pdm_pphh_mo.F cisdtq_2pdm_hhpp_mo.F mp4_1pdm_hh_mo_III_b.F btrans2.F ccsdt_2pdm_hhhh_mo.F wdm_hp_mo_b_d_b.F ccsdt_2pdm_hphp_mo.F cisd_1pdm_pp_mo.F ccsdt_2pdm_hppp_mo.F ccsdt_2pdm_pphp_mo.F mp3_1pdm_pp_mo.F ccsdt_2pdm_pppp_mo.F tce_mp2_norm.F cisd_2pdm_hphh_mo.F cisd_2pdm_hhhp_mo.F cis_1pdm_hh_mo.F cisd_2pdm_pphh_mo.F cisd_2pdm_hhpp_mo.F wdm_hp_mo_b_e_a.F ccsdt_1pdm_hh_mo.F mp4_1pdm_pp_mo_II.F cisdt_1pdm_hh_mo.F cisdtq_1pdm_pp_mo.F ccsdt_1pdm_ph_mo.F mp4_2pdm_hhhh_mo.F cis_xdiagon.F mp4_2pdm_hphp_mo.F ccsdtq_2pdm_hhhh_mo.F mp4_2pdm_pphp_mo.F mp2_1pdm_pp_mo.F mp3_2pdm_hhhh_mo.F ccsdtq_1pdm_hh_mo.F mp4_2pdm_pppp_mo.F ccsdtq_2pdm_hphp_mo.F wdm_hp_mo_b_e_b.F ccsdtq_1pdm_ph_mo.F ccsdtq_2pdm_hppp_mo.F ccsdtq_2pdm_pphp_mo.F cisdt_2pdm_hphh_mo.F cisdt_2pdm_hhhp_mo.F mp3_2pdm_hphp_mo.F ccsdtq_2pdm_pppp_mo.F cisdt_2pdm_pphh_mo.F cisdt_2pdm_hhpp_mo.F mp4_1pdm_pp_mo_III_a.F mp3_2pdm_pppp_mo.F converting ccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [1] 22186 converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 22187 converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK [3] 22188 converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 22189 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [1] 22190 converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 22191 converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [3] 22192 converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 22193 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [1] 22194 converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 22195 converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 22196 converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 22197 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 22200 converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK [2] 22201 converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK [3] 22202 converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK [4] 22203 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_a_c_a.F to 32-bit integers for BLAS/LAPACK [1] 22204 converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK [2] 22205 converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK [3] 22206 converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK [4] 22207 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_a_e_b.F to 32-bit integers for BLAS/LAPACK [1] 22218 converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK [2] 22219 converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK [3] 22220 converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK [4] 22221 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_b_a_b.F to 32-bit integers for BLAS/LAPACK [1] 22222 converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK [2] 22223 converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK [3] 22224 converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK [4] 22225 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_b_d_a.F to 32-bit integers for BLAS/LAPACK [1] 22226 converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK [2] 22227 converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK [3] 22228 converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK [4] 22229 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_b_f.F to 32-bit integers for BLAS/LAPACK [1] 22230 converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK [2] 22231 converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK [3] 22232 converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK [4] 22233 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_a.F to 32-bit integers for BLAS/LAPACK [1] 22234 converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 22235 converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 22236 converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 22237 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK [1] 22240 converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK [2] 22241 converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK [3] 22242 converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK [4] 22243 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_c_c_a.F to 32-bit integers for BLAS/LAPACK [1] 22244 converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK [2] 22245 converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK [3] 22246 converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK [4] 22247 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_c_e_b.F to 32-bit integers for BLAS/LAPACK [1] 22248 converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK [2] 22249 converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK [3] 22250 converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK [4] 22251 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hp_mo_a.F to 32-bit integers for BLAS/LAPACK [1] 22252 converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 22253 converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 22254 converting wdm_hp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 22255 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK [1] 22256 converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK [2] 22257 converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [3] 22258 converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [4] 22259 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK [1] 22260 converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [2] 22261 converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK [3] 22262 converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK [4] 22263 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_pp_mo_a.F to 32-bit integers for BLAS/LAPACK [1] 22264 converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 22265 converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 22266 converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 22267 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_pp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK [1] 22268 converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK [2] 22269 converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [3] 22270 converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [4] 22271 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_pp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK [1] 22272 converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [2] 22273 converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK [3] 22274 converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 22275 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [1] 22276 converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK [2] 22277 converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [3] 22278 converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [4] 22279 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [1] 22280 converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 22281 converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 22282 converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 22283 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 22284 converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 22285 converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 22286 converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK [4] 22287 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_z2.F to 32-bit integers for BLAS/LAPACK [1] 22312 converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK [2] 22313 converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK [3] 22314 converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 22315 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_x1_grad.F to 32-bit integers for BLAS/LAPACK [1] 22319 converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK [2] 22320 converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK [3] 22321 converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK [4] 22322 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [1] 22327 converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 22328 converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 22329 converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 22330 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 22331 converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK [2] 22332 converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK [3] 22333 converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 22334 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 22335 converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 22336 converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 22337 converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 22338 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_cisdtq_denominator.F to 32-bit integers for BLAS/LAPACK [1] 22340 converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK [2] 22341 converting cis_x1.F to 32-bit integers for BLAS/LAPACK [3] 22342 converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [4] 22343 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_1pdm_hh_mo_II.F to 32-bit integers for BLAS/LAPACK [1] 22346 converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 22347 converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 22348 converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 22349 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [1] 22350 converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 22351 converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 22352 converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 22353 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [1] 22354 converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 22355 converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 22356 converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 22357 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 22360 converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 22361 converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 22362 converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK [4] 22363 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 22656 converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [2] 22657 converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK [3] 22658 converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 22659 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [1] 23506 converting btrans1.F to 32-bit integers for BLAS/LAPACK [2] 23507 converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 23508 converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 23509 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 23510 converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 23511 converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [3] 23512 converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [4] 23513 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 23514 converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [2] 23515 converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK [3] 23516 converting btrans2.F to 32-bit integers for BLAS/LAPACK [4] 23517 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [1] 23518 converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [2] 23519 converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 23520 converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 23521 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 23522 converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 23523 converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [3] 23524 converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 23525 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mp2_norm.F to 32-bit integers for BLAS/LAPACK [1] 23527 converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 23528 converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [3] 23529 converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 23530 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [1] 23531 converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [2] 23532 converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK [3] 23533 converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 23534 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_1pdm_pp_mo_II.F to 32-bit integers for BLAS/LAPACK [1] 23535 converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [2] 23536 converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [3] 23537 converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 23538 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [1] 23539 converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK [2] 23540 converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 23541 converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [4] 23542 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [1] 23543 converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 23544 converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [3] 23545 converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 23546 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 23550 converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 23551 converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [3] 23552 converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 23553 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [1] 23554 converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 23555 converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 23556 converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [4] 23557 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp3_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [1] 23558 converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 23559 converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 23560 converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [4] 23561 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_1pdm_pp_mo_III_a.F to 32-bit integers for BLAS/LAPACK [1] 23562 converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 23563 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccsd_e.F ccsd_t1.F ccsd_t2.F cc2_t1.F cc2_t2.F ccsd_1prdm_hh.F ccsd_1prdm_hp.F ccsd_1prdm_ph.F ccsd_1prdm_pp.F ccsd_1prdm.F icsd_t1.F icsd_t2.F ccsd_t2_8.F converting ccsd_e.F to 32-bit integers for BLAS/LAPACK [1] 24296 converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK [2] 24297 converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK [3] 24298 converting cc2_t1.F to 32-bit integers for BLAS/LAPACK [4] 24299 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cc2_t2.F to 32-bit integers for BLAS/LAPACK [1] 24302 converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK [2] 24303 converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK [3] 24304 converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK [4] 24305 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK [1] 24306 converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK [2] 24307 converting icsd_t1.F to 32-bit integers for BLAS/LAPACK [3] 24308 converting icsd_t2.F to 32-bit integers for BLAS/LAPACK [4] 24309 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_t2_8.F to 32-bit integers for BLAS/LAPACK [1] 24310 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsd_lambda /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccsd_density1.F ccsd_lambda1_1.F ccsd_lambda1_2.F ccsd_lambda2.F ccsd_lambda1_mod.F converting ccsd_density1.F to 32-bit integers for BLAS/LAPACK [1] 25040 converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK [2] 25041 converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK [3] 25042 converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK [4] 25043 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_lambda1_mod.F to 32-bit integers for BLAS/LAPACK [1] 25044 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in eomccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 eomccsd_x1.F eomccsd_x2.F eomccsd_y1.F eomccsd_y2.F eomccsd_denominator.F eomccsd_density1.F cc2_x1.F cc2_x2.F eomccsd_1prdm_hh.F eomccsd_1prdm_hp.F eomccsd_1prdm_ph.F eomccsd_1prdm_pp.F eomccsd_1prdm.F eomccsd_x1_old.F eomccsd_x2_old.F eomicsd_x1.F eomicsd_x2.F converting eomccsd_x1.F to 32-bit integers for BLAS/LAPACK [1] 25777 converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK [2] 25778 converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK [3] 25779 converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK [4] 25780 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_denominator.F to 32-bit integers for BLAS/LAPACK [1] 25783 converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK [2] 25784 converting cc2_x1.F to 32-bit integers for BLAS/LAPACK [3] 25785 converting cc2_x2.F to 32-bit integers for BLAS/LAPACK [4] 25786 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK [1] 25787 converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK [2] 25788 converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK [3] 25789 converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK [4] 25790 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK [1] 25791 converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK [2] 25792 converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK [3] 25793 converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK [4] 25794 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomicsd_x2.F to 32-bit integers for BLAS/LAPACK [1] 25795 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccsd_t_doubles.F ccsd_t_singles.F ccsd_t_doubles_l.F ccsd_t_singles_l.F lambda_ccsd_t_left.F ccsd2_q_left.F ccsd2_q_right.F ccsd2_t_left.F ccsdt2_q_left.F ccsdt2_q_right.F cr_ccsd_t_D.F cr_ccsd_t_E.F cr_ccsd_t_N.F lr_ccsd_tq.F cr_qcisd_t.F m2_dot_m1t1.F ccsd_t_singles_l_6dts.F ccsd_t_doubles_l_6dts.F ccsd_t.F converting ccsd_t_doubles.F to 32-bit integers for BLAS/LAPACK [1] 27136 converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK [2] 27137 converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK [3] 27138 converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK [4] 27139 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lambda_ccsd_t_left.F to 32-bit integers for BLAS/LAPACK [1] 27140 converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK [2] 27141 converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK [3] 27143 converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK [4] 27144 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt2_q_left.F to 32-bit integers for BLAS/LAPACK [1] 27384 converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK [2] 27385 converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK [3] 27386 converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK [4] 27387 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_ccsd_t_N.F to 32-bit integers for BLAS/LAPACK [1] 27990 converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK [2] 27991 converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK [3] 27992 converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK [4] 27993 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_t_singles_l_6dts.F to 32-bit integers for BLAS/LAPACK [1] 27994 converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK [2] 27995 converting ccsd_t.F to 32-bit integers for BLAS/LAPACK [3] 27996 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cr-eomccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 c1_c1.F c2_c2.F c2excit2.F cr_eomccsd_t_n2_1_1_2_2.F cr_eomccsd_t_n2_1_1_2.F cr_eomccsd_t_n2_1_1_3.F cr_eomccsd_t_n2_1_1.F cr_eomccsd_t_n2_1_2.F cr_eomccsd_t_n2_1_3_1.F cr_eomccsd_t_n2_1_3_2_1.F cr_eomccsd_t_n2_1_3_2.F cr_eomccsd_t_n2_1_3_3.F cr_eomccsd_t_n2_1_3.F cr_eomccsd_t_n2_1_4_1.F cr_eomccsd_t_n2_1_4.F cr_eomccsd_t_n2_1_5_1.F cr_eomccsd_t_n2_1_5.F cr_eomccsd_t_n2_1_6_1.F cr_eomccsd_t_n2_1_6.F cr_eomccsd_t_n2_1_7_2.F cr_eomccsd_t_n2_1_7.F cr_eomccsd_t_n2_1_8_2.F cr_eomccsd_t_n2_1_8.F cr_eomccsd_t_n2_1_9.F cr_eomccsd_t_n2_1.F cr_eomccsd_t_n2_2_1_2.F cr_eomccsd_t_n2_2_1_3.F cr_eomccsd_t_n2_2_1_4.F cr_eomccsd_t_n2_2_1.F cr_eomccsd_t_n2_2.F cr_eomccsd_t_n2_3_1.F cr_eomccsd_t_n2_3_2_1.F cr_eomccsd_t_n2_3_2.F cr_eomccsd_t_n2_3_3_2.F cr_eomccsd_t_n2_3_3.F cr_eomccsd_t_n2_3_4.F cr_eomccsd_t_n2_3.F cr_eomccsd_t_n2_4_1_1.F cr_eomccsd_t_n2_4_1_2_1.F cr_eomccsd_t_n2_4_1_2.F cr_eomccsd_t_n2_4_1_3_1.F cr_eomccsd_t_n2_4_1_3.F cr_eomccsd_t_n2_4_1_4.F cr_eomccsd_t_n2_4_1.F cr_eomccsd_t_n2_4_2_2_2.F cr_eomccsd_t_n2_4_2_2.F cr_eomccsd_t_n2_4_2_3.F cr_eomccsd_t_n2_4_2_4.F cr_eomccsd_t_n2_4_2.F cr_eomccsd_t_n2_4.F cr_eomccsd_t_n2_5_2_2_2.F cr_eomccsd_t_n2_5_2_2.F cr_eomccsd_t_n2_5_2_3.F cr_eomccsd_t_n2_5_2.F cr_eomccsd_t_n2_5_3_2.F cr_eomccsd_t_n2_5_3.F cr_eomccsd_t_n2_5_4_2.F cr_eomccsd_t_n2_5_4.F cr_eomccsd_t_n2_5_5_2.F cr_eomccsd_t_n2_5_5.F cr_eomccsd_t_n2_5_6.F cr_eomccsd_t_n2_5.F cr_eomccsd_t_n2_6_2.F cr_eomccsd_t_n2_6_3_2.F cr_eomccsd_t_n2_6_3.F cr_eomccsd_t_n2_6_4.F cr_eomccsd_t_n2_6.F cr_s_m3.F nr0.F q3rexpt2.F t2t12.F creomccsd_t_n2_mem.F cr_eomccsd_t.F q3rexpt2_6dts.F creomccsd_t_n2_mem_6dts.F cr_eomccsd_t_6dts.F cr_ccsd_t_N_6dts.F cr_ccsd_t_E_6dts.F cr_eomccsd_t_6dts_d4d5_parallel.F converting c1_c1.F to 32-bit integers for BLAS/LAPACK [1] 28726 converting c2_c2.F to 32-bit integers for BLAS/LAPACK [2] 28727 converting c2excit2.F to 32-bit integers for BLAS/LAPACK [3] 28728 converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 28729 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_1_2.F to 32-bit integers for BLAS/LAPACK [1] 28730 converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK [2] 28731 converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 28732 converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK [4] 28733 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 28734 converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 28735 converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 28736 converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK [4] 28737 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_3.F to 32-bit integers for BLAS/LAPACK [1] 28738 converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 28739 converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK [3] 28740 converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK [4] 28741 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_5.F to 32-bit integers for BLAS/LAPACK [1] 28742 converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK [2] 28743 converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK [3] 28744 converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK [4] 28745 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_7.F to 32-bit integers for BLAS/LAPACK [1] 28746 converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK [2] 28747 converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK [3] 28748 converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK [4] 28749 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1.F to 32-bit integers for BLAS/LAPACK [1] 28750 converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK [2] 28751 converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK [3] 28752 converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 28753 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_2_1.F to 32-bit integers for BLAS/LAPACK [1] 28754 converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK [2] 28755 converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK [3] 28756 converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK [4] 28757 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_3_2.F to 32-bit integers for BLAS/LAPACK [1] 28758 converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 28759 converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK [3] 28760 converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK [4] 28761 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_3.F to 32-bit integers for BLAS/LAPACK [1] 28762 converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK [2] 28763 converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 28764 converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK [4] 28765 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_4_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 28766 converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK [2] 28767 converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK [3] 28768 converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 28769 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_4_2_2_2.F to 32-bit integers for BLAS/LAPACK [1] 28770 converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK [2] 28771 converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK [3] 28772 converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK [4] 28773 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_4_2.F to 32-bit integers for BLAS/LAPACK [1] 28774 converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK [2] 28775 converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK [3] 28776 converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK [4] 28777 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_5_2_3.F to 32-bit integers for BLAS/LAPACK [1] 28778 converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK [2] 28779 converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK [3] 28780 converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK [4] 28781 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_5_4_2.F to 32-bit integers for BLAS/LAPACK [1] 28782 converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK [2] 28783 converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK [3] 28784 converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK [4] 28785 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_5_6.F to 32-bit integers for BLAS/LAPACK [1] 28786 converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK [2] 28787 converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK [3] 28788 converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 28789 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_6_3.F to 32-bit integers for BLAS/LAPACK [1] 28790 converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK [2] 28791 converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK [3] 28792 converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK [4] 28793 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting nr0.F to 32-bit integers for BLAS/LAPACK [1] 28794 converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK [2] 28795 converting t2t12.F to 32-bit integers for BLAS/LAPACK [3] 28796 converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK [4] 28797 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t.F to 32-bit integers for BLAS/LAPACK [1] 28798 converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK [2] 28799 converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK [3] 28800 converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK [4] 28801 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_ccsd_t_N_6dts.F to 32-bit integers for BLAS/LAPACK [1] 28802 converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK [2] 28803 converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK [3] 28804 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in lrh /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in emb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 c2vt1_s.F c1v.F converting c2vt1_s.F to 32-bit integers for BLAS/LAPACK [1] 30265 converting c1v.F to 32-bit integers for BLAS/LAPACK [2] 30266 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccd_e.F ccd_t2.F converting ccd_e.F to 32-bit integers for BLAS/LAPACK [1] 31000 converting ccd_t2.F to 32-bit integers for BLAS/LAPACK [2] 31001 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in lccd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 lccd_e.F lccd_t2.F converting lccd_e.F to 32-bit integers for BLAS/LAPACK [1] 31731 converting lccd_t2.F to 32-bit integers for BLAS/LAPACK [2] 31732 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in lccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 lccsd_e.F lccsd_t1.F lccsd_t2.F converting lccsd_e.F to 32-bit integers for BLAS/LAPACK [1] 32462 converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK [2] 32463 converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK [3] 32464 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in qcisd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 qcisd_e.F qcisd_t1.F qcisd_t2.F converting qcisd_e.F to 32-bit integers for BLAS/LAPACK [1] 33195 converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK [2] 33196 converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK [3] 33197 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cc3 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 cc3_t3.F ccsdt1b_t3.F ccsdt2_t3.F ccsdt3_t3.F eomccsdt1_x3.F eomcc3_x3.F eomccsdt3_x3.F cc3_lambda3.F converting cc3_t3.F to 32-bit integers for BLAS/LAPACK [1] 33927 converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK [2] 33928 converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK [3] 33929 converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK [4] 33930 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt1_x3.F to 32-bit integers for BLAS/LAPACK [1] 33933 converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK [2] 33934 converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK [3] 33935 converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK [4] 33936 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in mbpt1 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 mbpt1_t1.F mbpt1_t2.F converting mbpt1_t1.F to 32-bit integers for BLAS/LAPACK [1] 34668 converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK [2] 34669 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in mbpt2 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 mbpt2_e.F mbpt2_t1.F mbpt2_t2_b.F mbpt2_t2.F mbpt2_t3.F mbpt2_t1_sd.F mbpt2_t2_sd.F mbpt2_t4.F converting mbpt2_e.F to 32-bit integers for BLAS/LAPACK [1] 35399 converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK [2] 35400 converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK [3] 35401 converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK [4] 35402 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mbpt2_t3.F to 32-bit integers for BLAS/LAPACK [1] 35403 converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK [2] 35404 converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK [3] 35405 converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK [4] 35406 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in mbpt3 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 mbpt3_e.F mbpt3_t1.F mbpt3_t2.F mbpt3_t1_sd.F mbpt3_t2_sd.F converting mbpt3_e.F to 32-bit integers for BLAS/LAPACK [1] 36136 converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK [2] 36137 converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK [3] 36138 converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK [4] 36139 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mbpt3_t2_sd.F to 32-bit integers for BLAS/LAPACK [1] 36140 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in mbpt4 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 mbpt4_e.F converting mbpt4_e.F to 32-bit integers for BLAS/LAPACK [1] 36871 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in cis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 cis_x1.F cis_xdiagon.F converting cis_x1.F to 32-bit integers for BLAS/LAPACK [1] 37601 converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK [2] 37602 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cisd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 cisd_c1.F cisd_c2.F cisd_e.F converting cisd_c1.F to 32-bit integers for BLAS/LAPACK [1] 38332 converting cisd_c2.F to 32-bit integers for BLAS/LAPACK [2] 38333 converting cisd_e.F to 32-bit integers for BLAS/LAPACK [3] 38334 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cisdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 cisdt_c1.F cisdt_c2.F cisdt_c3.F cisdt_e.F converting cisdt_c1.F to 32-bit integers for BLAS/LAPACK [1] 39074 converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK [2] 39075 converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK [3] 39076 converting cisdt_e.F to 32-bit integers for BLAS/LAPACK [4] 39077 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cisdtq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 cisdtq_c1.F cisdtq_c2.F cisdtq_c3.F cisdtq_c4.F cisdtq_e.F converting cisdtq_c1.F to 32-bit integers for BLAS/LAPACK [1] 39822 converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK [2] 39823 converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK [3] 39824 converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK [4] 39825 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_e.F to 32-bit integers for BLAS/LAPACK [1] 39826 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsd_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccsd_ea.F ccsd_t1a.F ccsd_t2a.F diag1_act2.F diag2_act2.F converting ccsd_ea.F to 32-bit integers for BLAS/LAPACK [1] 40556 converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK [2] 40557 converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK [3] 40558 converting diag1_act2.F to 32-bit integers for BLAS/LAPACK [4] 40559 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting diag2_act2.F to 32-bit integers for BLAS/LAPACK [1] 40560 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in eomccsd_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 eomccsd_x1a.F eomccsd_x2a.F q2na_hc1.F converting eomccsd_x1a.F to 32-bit integers for BLAS/LAPACK [1] 41411 converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK [2] 41412 converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK [3] 41413 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in cr_eomccsd_t_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 cr_ccsd_t_E_act.F q3rexpt2_act.F cr_ccsd_t_N_act.F creomccsd_t_n2_act_mem.F cr_eomt_simac.F ccsd_t_d_act.F cr_eomccsd_t_act.F cr_eomccsd_tasim.F converting cr_ccsd_t_E_act.F to 32-bit integers for BLAS/LAPACK [1] 43504 converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK [2] 43505 converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK [3] 43506 converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK [4] 43507 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomt_simac.F to 32-bit integers for BLAS/LAPACK [1] 46161 converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK [2] 46162 converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK [3] 46163 converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK [4] 46164 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in sort /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in eaccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 eaccsd_x1.F eaccsd_x2.F tce_print_eax1.F tce_print_eax2.F tce_eax1_offset.F tce_eax2_offset.F tce_eom_eaxguess.F tce_jacobi_eax1.F tce_jacobi_eax2.F converting eaccsd_x1.F to 32-bit integers for BLAS/LAPACK [1] 47857 converting eaccsd_x2.F to 32-bit integers for BLAS/LAPACK [2] 47858 converting tce_print_eax1.F to 32-bit integers for BLAS/LAPACK [3] 47859 converting tce_print_eax2.F to 32-bit integers for BLAS/LAPACK [4] 47860 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_eax1_offset.F to 32-bit integers for BLAS/LAPACK [1] 48555 converting tce_eax2_offset.F to 32-bit integers for BLAS/LAPACK [2] 48556 converting tce_eom_eaxguess.F to 32-bit integers for BLAS/LAPACK [3] 48557 converting tce_jacobi_eax1.F to 32-bit integers for BLAS/LAPACK [4] 48558 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_jacobi_eax2.F to 32-bit integers for BLAS/LAPACK [1] 48560 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in ipccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ipccsd_x1.F ipccsd_x2.F tce_print_ipx1.F tce_print_ipx2.F tce_ipx1_offset.F tce_ipx2_offset.F tce_eom_ipxguess.F tce_jacobi_ipx1.F tce_jacobi_ipx2.F converting ipccsd_x1.F to 32-bit integers for BLAS/LAPACK [1] 49436 converting ipccsd_x2.F to 32-bit integers for BLAS/LAPACK [2] 49437 converting tce_print_ipx1.F to 32-bit integers for BLAS/LAPACK [3] 49438 converting tce_print_ipx2.F to 32-bit integers for BLAS/LAPACK [4] 49439 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_ipx1_offset.F to 32-bit integers for BLAS/LAPACK [1] 50504 converting tce_ipx2_offset.F to 32-bit integers for BLAS/LAPACK [2] 50506 converting tce_eom_ipxguess.F to 32-bit integers for BLAS/LAPACK [3] 50507 converting tce_jacobi_ipx1.F to 32-bit integers for BLAS/LAPACK [4] 50508 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_jacobi_ipx2.F to 32-bit integers for BLAS/LAPACK [1] 50561 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccsdt_e.F ccsdt_t1a.F ccsdt_t1.F ccsdt_t2a.F ccsdt_t2.F ccsdt_t3_1_2_2_2.F ccsdt_t3_1_2_2.F ccsdt_t3_1_2_3.F ccsdt_t3_1_2.F ccsdt_t3_1_3_2.F ccsdt_t3_1_3.F ccsdt_t3_1_4_2.F ccsdt_t3_1_4.F ccsdt_t3_1_5_2.F ccsdt_t3_1_5.F ccsdt_t3_1_6.F ccsdt_t3_1_7.F ccsdt_t3_1.F ccsdt_t3_2_2.F ccsdt_t3_2_3_2.F ccsdt_t3_2_3.F ccsdt_t3_2_4.F ccsdt_t3_2_5.F ccsdt_t3_2.F ccsdt_t3_3_2_2.F ccsdt_t3_3_2.F ccsdt_t3_3_3.F ccsdt_t3_3_4.F ccsdt_t3_3.F ccsdt_t3_4_2.F ccsdt_t3_4_3.F ccsdt_t3_4.F ccsdt_t3_5_2_2.F ccsdt_t3_5_2.F ccsdt_t3_5_3.F ccsdt_t3_5.F ccsdt_t3_6_2.F ccsdt_t3_6_3.F ccsdt_t3_6.F ccsdt_t3_7.F ccsdt_t3_8_1_2_2.F ccsdt_t3_8_1_2.F ccsdt_t3_8_1_3.F ccsdt_t3_8_1_4.F ccsdt_t3_8_1.F ccsdt_t3_8_2_2.F ccsdt_t3_8_2.F ccsdt_t3_8_3_2.F ccsdt_t3_8_3.F ccsdt_t3_8_4.F ccsdt_t3_8_5_1.F ccsdt_t3_8_5.F ccsdt_t3_8.F ccsdt_t3_9_1.F ccsdt_t3_9.F ccsdt_t3a_1_2_2_2.F ccsdt_t3a_1_2_2.F ccsdt_t3a_1_2_3.F ccsdt_t3a_1_2.F ccsdt_t3a_1_3_2.F ccsdt_t3a_1_3.F ccsdt_t3a_1_4_2.F ccsdt_t3a_1_4.F ccsdt_t3a_1_5_2.F ccsdt_t3a_1_5.F ccsdt_t3a_1_6.F ccsdt_t3a_1_7.F ccsdt_t3a_1.F ccsdt_t3a_2_2.F ccsdt_t3a_2_3_2.F ccsdt_t3a_2_3.F ccsdt_t3a_2_4.F ccsdt_t3a_2_5.F ccsdt_t3a_2.F ccsdt_t3a_3_2_2.F ccsdt_t3a_3_2.F ccsdt_t3a_3_3.F ccsdt_t3a_3_4.F ccsdt_t3a_3.F ccsdt_t3a_4_2.F ccsdt_t3a_4_3.F ccsdt_t3a_4.F ccsdt_t3a_5_2_2.F ccsdt_t3a_5_2.F ccsdt_t3a_5_3.F ccsdt_t3a_5.F ccsdt_t3a_6_2.F ccsdt_t3a_6_3.F ccsdt_t3a_6.F ccsdt_t3a_7.F ccsdt_t3a_8_1_2_2.F ccsdt_t3a_8_1_2.F ccsdt_t3a_8_1_3.F ccsdt_t3a_8_1_4.F ccsdt_t3a_8_1.F ccsdt_t3a_8_2_2.F ccsdt_t3a_8_2.F ccsdt_t3a_8_3_2.F ccsdt_t3a_8_3.F ccsdt_t3a_8_4.F ccsdt_t3a_8_5_1.F ccsdt_t3a_8_5.F ccsdt_t3a_8.F ccsdt_t3a_9_1.F ccsdt_t3a_9.F converting ccsdt_e.F to 32-bit integers for BLAS/LAPACK [1] 51662 converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK [2] 51663 converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK [3] 51664 converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK [4] 51665 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t2.F to 32-bit integers for BLAS/LAPACK [1] 51846 converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 51847 converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 51848 converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK [4] 51849 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_1_2.F to 32-bit integers for BLAS/LAPACK [1] 52257 converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK [2] 52258 converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK [3] 52259 converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK [4] 52260 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_1_4.F to 32-bit integers for BLAS/LAPACK [1] 52261 converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK [2] 52262 converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK [3] 52263 converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK [4] 52264 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_1_7.F to 32-bit integers for BLAS/LAPACK [1] 52266 converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK [2] 52267 converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 52268 converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 52269 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_2_3.F to 32-bit integers for BLAS/LAPACK [1] 52271 converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK [2] 52272 converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK [3] 52273 converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK [4] 52274 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK [1] 52276 converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 52277 converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK [3] 52278 converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK [4] 52279 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_3.F to 32-bit integers for BLAS/LAPACK [1] 52286 converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK [2] 52287 converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK [3] 52288 converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK [4] 52289 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK [1] 52291 converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK [2] 52292 converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK [3] 52293 converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK [4] 52294 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_6_2.F to 32-bit integers for BLAS/LAPACK [1] 52341 converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK [2] 52342 converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK [3] 52343 converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK [4] 52344 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 52354 converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK [2] 52355 converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK [3] 52356 converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK [4] 52357 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8_1.F to 32-bit integers for BLAS/LAPACK [1] 52369 converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK [2] 52371 converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK [3] 52372 converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK [4] 52373 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8_3.F to 32-bit integers for BLAS/LAPACK [1] 52378 converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK [2] 52379 converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK [3] 52380 converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK [4] 52381 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8.F to 32-bit integers for BLAS/LAPACK [1] 52406 converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK [2] 52407 converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK [3] 52408 converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 52409 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 52418 converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK [2] 52419 converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK [3] 52420 converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 52421 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_1_3.F to 32-bit integers for BLAS/LAPACK [1] 52425 converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK [2] 52426 converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK [3] 52427 converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK [4] 52428 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_1_5.F to 32-bit integers for BLAS/LAPACK [1] 52438 converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK [2] 52439 converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK [3] 52440 converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK [4] 52441 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_2_2.F to 32-bit integers for BLAS/LAPACK [1] 52448 converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK [2] 52449 converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK [3] 52450 converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK [4] 52451 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_2_5.F to 32-bit integers for BLAS/LAPACK [1] 52452 converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK [2] 52453 converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 52454 converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK [4] 52455 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_3_3.F to 32-bit integers for BLAS/LAPACK [1] 52457 converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK [2] 52458 converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK [3] 52459 converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK [4] 52460 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_4_3.F to 32-bit integers for BLAS/LAPACK [1] 52467 converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK [2] 52468 converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK [3] 52469 converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK [4] 52470 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_5_3.F to 32-bit integers for BLAS/LAPACK [1] 52471 converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK [2] 52472 converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK [3] 52473 converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK [4] 52474 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_6.F to 32-bit integers for BLAS/LAPACK [1] 52475 converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK [2] 52476 converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 52477 converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK [4] 52478 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_8_1_3.F to 32-bit integers for BLAS/LAPACK [1] 52480 converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK [2] 52481 converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK [3] 52482 converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK [4] 52483 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_8_2.F to 32-bit integers for BLAS/LAPACK [1] 52490 converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK [2] 52491 converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK [3] 52492 converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK [4] 52493 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_8_5_1.F to 32-bit integers for BLAS/LAPACK [1] 52494 converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK [2] 52495 converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK [3] 52496 converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK [4] 52497 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_9.F to 32-bit integers for BLAS/LAPACK [1] 52499 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsdt_lambda /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccsdt_density1.F ccsdt_lambda1_10_1.F ccsdt_lambda1_10_2.F ccsdt_lambda1_10_3.F ccsdt_lambda1_10.F ccsdt_lambda1_11_1.F ccsdt_lambda1_11_2.F ccsdt_lambda1_11_3.F ccsdt_lambda1_11.F ccsdt_lambda1_12_1.F ccsdt_lambda1_12_2.F ccsdt_lambda1_12_3.F ccsdt_lambda1_12.F ccsdt_lambda1_13_1.F ccsdt_lambda1_13_2.F ccsdt_lambda1_13.F ccsdt_lambda1_14_1.F ccsdt_lambda1_14_2.F ccsdt_lambda1_14_3_1.F ccsdt_lambda1_14_3_2.F ccsdt_lambda1_14_3_3_1.F ccsdt_lambda1_14_3_3_2.F ccsdt_lambda1_14_3_3.F ccsdt_lambda1_14_3.F ccsdt_lambda1_14_4_1.F ccsdt_lambda1_14_4.F ccsdt_lambda1_14_5_1.F ccsdt_lambda1_14_5_2.F ccsdt_lambda1_14_5.F ccsdt_lambda1_14_6_1.F ccsdt_lambda1_14_6.F ccsdt_lambda1_14_7_1.F ccsdt_lambda1_14_7.F ccsdt_lambda1_14_8_1.F ccsdt_lambda1_14_8.F ccsdt_lambda1_14_9_1_1.F ccsdt_lambda1_14_9_1.F ccsdt_lambda1_14_9.F ccsdt_lambda1_14.F ccsdt_lambda1_15_1.F ccsdt_lambda1_15_2.F ccsdt_lambda1_15_3_1.F ccsdt_lambda1_15_3.F ccsdt_lambda1_15_4_1.F ccsdt_lambda1_15_4.F ccsdt_lambda1_15.F ccsdt_lambda1_16_1.F ccsdt_lambda1_16_2.F ccsdt_lambda1_16_3_1.F ccsdt_lambda1_16_3_2.F ccsdt_lambda1_16_3.F ccsdt_lambda1_16_4_1.F ccsdt_lambda1_16_4.F ccsdt_lambda1_16.F ccsdt_lambda1_17_1.F ccsdt_lambda1_17.F ccsdt_lambda1_18_1_2.F ccsdt_lambda1_18_1_3.F ccsdt_lambda1_18_1_4.F ccsdt_lambda1_18_1.F ccsdt_lambda1_18_2_2.F ccsdt_lambda1_18_2.F ccsdt_lambda1_18_3_2.F ccsdt_lambda1_18_3.F ccsdt_lambda1_18_4.F ccsdt_lambda1_18_5_1.F ccsdt_lambda1_18_5.F ccsdt_lambda1_18_6_1_1.F ccsdt_lambda1_18_6_1.F ccsdt_lambda1_18_6.F ccsdt_lambda1_18.F ccsdt_lambda1_19_1.F ccsdt_lambda1_19.F ccsdt_lambda1_20_1_1.F ccsdt_lambda1_20_1.F ccsdt_lambda1_20.F ccsdt_lambda1_21_1_1.F ccsdt_lambda1_21_1.F ccsdt_lambda1_21_2_1_1.F ccsdt_lambda1_21_2_1.F ccsdt_lambda1_21_2.F ccsdt_lambda1_21.F ccsdt_lambda1_2_2_2.F ccsdt_lambda1_2_2.F ccsdt_lambda1_2_3.F ccsdt_lambda1_2_4.F ccsdt_lambda1_2.F ccsdt_lambda1_3_2.F ccsdt_lambda1_3_3_1.F ccsdt_lambda1_3_3.F ccsdt_lambda1_3.F ccsdt_lambda1_4.F ccsdt_lambda1_5_2_2_2.F ccsdt_lambda1_5_2_2.F ccsdt_lambda1_5_2_3.F ccsdt_lambda1_5_2_4.F ccsdt_lambda1_5_2.F ccsdt_lambda1_5_3_2.F ccsdt_lambda1_5_3.F ccsdt_lambda1_5_4.F ccsdt_lambda1_5_5_2.F ccsdt_lambda1_5_5.F ccsdt_lambda1_5_6_2.F ccsdt_lambda1_5_6.F ccsdt_lambda1_5_7.F ccsdt_lambda1_5_8.F ccsdt_lambda1_5.F ccsdt_lambda1_6_2_2_2.F ccsdt_lambda1_6_2_2.F ccsdt_lambda1_6_2_3.F ccsdt_lambda1_6_2.F ccsdt_lambda1_6_3_2.F ccsdt_lambda1_6_3.F ccsdt_lambda1_6_4_2.F ccsdt_lambda1_6_4.F ccsdt_lambda1_6_5_2.F ccsdt_lambda1_6_5.F ccsdt_lambda1_6_6.F ccsdt_lambda1_6_7.F ccsdt_lambda1_6.F ccsdt_lambda1_7_2.F ccsdt_lambda1_7.F ccsdt_lambda1_8_10_2.F ccsdt_lambda1_8_10.F ccsdt_lambda1_8_11.F ccsdt_lambda1_8_12_1.F ccsdt_lambda1_8_12_2.F ccsdt_lambda1_8_12_3.F ccsdt_lambda1_8_12.F ccsdt_lambda1_8_13_1.F ccsdt_lambda1_8_13_2.F ccsdt_lambda1_8_13_3.F ccsdt_lambda1_8_13.F ccsdt_lambda1_8_14_1.F ccsdt_lambda1_8_14_2.F ccsdt_lambda1_8_14.F ccsdt_lambda1_8_2_2_2_2.F ccsdt_lambda1_8_2_2_2.F ccsdt_lambda1_8_2_2_3.F ccsdt_lambda1_8_2_2.F ccsdt_lambda1_8_2_3_2.F ccsdt_lambda1_8_2_3.F ccsdt_lambda1_8_2_4.F ccsdt_lambda1_8_2_5_1.F ccsdt_lambda1_8_2_5.F ccsdt_lambda1_8_2.F ccsdt_lambda1_8_3_2.F ccsdt_lambda1_8_3.F ccsdt_lambda1_8_4_2_1.F ccsdt_lambda1_8_4_2.F ccsdt_lambda1_8_4.F ccsdt_lambda1_8_5_2_1.F ccsdt_lambda1_8_5_2.F ccsdt_lambda1_8_5.F ccsdt_lambda1_8_6_2_2.F ccsdt_lambda1_8_6_2.F ccsdt_lambda1_8_6_3.F ccsdt_lambda1_8_6.F ccsdt_lambda1_8_7_2.F ccsdt_lambda1_8_7_3.F ccsdt_lambda1_8_7.F ccsdt_lambda1_8_8.F ccsdt_lambda1_8_9_2.F ccsdt_lambda1_8_9.F ccsdt_lambda1_8.F ccsdt_lambda1_9_2.F ccsdt_lambda1_9_3.F ccsdt_lambda1_9_4_1.F ccsdt_lambda1_9_4_2.F ccsdt_lambda1_9_4_3.F ccsdt_lambda1_9_4.F ccsdt_lambda1_9_5_1.F ccsdt_lambda1_9_5_2.F ccsdt_lambda1_9_5.F ccsdt_lambda1_9_6_1.F ccsdt_lambda1_9_6.F ccsdt_lambda1_9.F ccsdt_lambda2_10_2_2_2.F ccsdt_lambda2_10_2_2.F ccsdt_lambda2_10_2_3.F ccsdt_lambda2_10_2_4.F ccsdt_lambda2_10_2.F ccsdt_lambda2_10_3_2.F ccsdt_lambda2_10_3_3.F ccsdt_lambda2_10_3.F ccsdt_lambda2_10_4.F ccsdt_lambda2_10_5_2.F ccsdt_lambda2_10_5.F ccsdt_lambda2_10_6.F ccsdt_lambda2_10_7.F ccsdt_lambda2_10_8.F ccsdt_lambda2_10.F ccsdt_lambda2_11_2_2_2.F ccsdt_lambda2_11_2_2.F ccsdt_lambda2_11_2_3.F ccsdt_lambda2_11_2.F ccsdt_lambda2_11_3_2.F ccsdt_lambda2_11_3.F ccsdt_lambda2_11_4_2.F ccsdt_lambda2_11_4.F ccsdt_lambda2_11_5_2.F ccsdt_lambda2_11_5.F ccsdt_lambda2_11_6.F ccsdt_lambda2_11_7.F ccsdt_lambda2_11.F ccsdt_lambda2_12_2.F ccsdt_lambda2_12_3_2.F ccsdt_lambda2_12_3.F ccsdt_lambda2_12_4.F ccsdt_lambda2_12_5.F ccsdt_lambda2_12_6_1.F ccsdt_lambda2_12_6.F ccsdt_lambda2_12_7_1.F ccsdt_lambda2_12_7.F ccsdt_lambda2_12.F ccsdt_lambda2_13_1.F ccsdt_lambda2_13_2.F ccsdt_lambda2_13_3.F ccsdt_lambda2_13.F ccsdt_lambda2_14_1.F ccsdt_lambda2_14_2.F ccsdt_lambda2_14.F ccsdt_lambda2_15_1.F ccsdt_lambda2_15_2.F ccsdt_lambda2_15.F ccsdt_lambda2_16_1.F ccsdt_lambda2_16_2.F ccsdt_lambda2_16.F ccsdt_lambda2_17_1.F ccsdt_lambda2_17.F ccsdt_lambda2_18_1.F ccsdt_lambda2_18_2.F ccsdt_lambda2_18.F ccsdt_lambda2_19_1.F ccsdt_lambda2_19_2.F ccsdt_lambda2_19_3_1.F ccsdt_lambda2_19_3.F ccsdt_lambda2_19_4_1.F ccsdt_lambda2_19_4.F ccsdt_lambda2_19.F ccsdt_lambda2_20_1.F ccsdt_lambda2_20.F ccsdt_lambda2_21_1.F ccsdt_lambda2_21.F ccsdt_lambda2_22_1.F ccsdt_lambda2_2_2.F ccsdt_lambda2_22.F ccsdt_lambda2_23_1.F ccsdt_lambda2_23_2_1.F ccsdt_lambda2_23_2_2.F ccsdt_lambda2_23_2.F ccsdt_lambda2_23_3_1.F ccsdt_lambda2_23_3.F ccsdt_lambda2_23.F ccsdt_lambda2_24_1_1.F ccsdt_lambda2_24_1.F ccsdt_lambda2_24.F ccsdt_lambda2_25_1_1.F ccsdt_lambda2_25_1.F ccsdt_lambda2_25.F ccsdt_lambda2_26_1_1.F ccsdt_lambda2_26_1.F ccsdt_lambda2_26_2_1_1.F ccsdt_lambda2_26_2_1.F ccsdt_lambda2_26_2.F ccsdt_lambda2_26.F ccsdt_lambda2_2.F ccsdt_lambda2_3_2.F ccsdt_lambda2_3.F ccsdt_lambda2_4.F ccsdt_lambda2_5_2_2.F ccsdt_lambda2_5_2.F ccsdt_lambda2_5_3.F ccsdt_lambda2_5_4.F ccsdt_lambda2_5.F ccsdt_lambda2_6_2.F ccsdt_lambda2_6_3.F ccsdt_lambda2_6_4_1.F ccsdt_lambda2_6_4.F ccsdt_lambda2_6.F ccsdt_lambda2_7_2_2.F ccsdt_lambda2_7_2.F ccsdt_lambda2_7_3.F ccsdt_lambda2_7.F ccsdt_lambda2_8_2.F ccsdt_lambda2_8_3.F ccsdt_lambda2_8.F ccsdt_lambda2_9.F ccsdt_lambda3.F converting ccsdt_density1.F to 32-bit integers for BLAS/LAPACK [1] 53243 converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK [2] 53244 converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK [3] 53245 converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK [4] 53246 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_10.F to 32-bit integers for BLAS/LAPACK [1] 53274 converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK [2] 53275 converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK [3] 53276 converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK [4] 53277 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_11.F to 32-bit integers for BLAS/LAPACK [1] 53278 converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK [2] 53279 converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK [3] 53280 converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK [4] 53281 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_12.F to 32-bit integers for BLAS/LAPACK [1] 53283 converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK [2] 53284 converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK [3] 53285 converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK [4] 53286 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK [1] 53287 converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK [2] 53288 converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK [3] 53289 converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK [4] 53290 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 53297 converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 53298 converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK [3] 53299 converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK [4] 53300 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK [1] 53302 converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK [2] 53303 converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK [3] 53304 converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK [4] 53305 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK [1] 53307 converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK [2] 53308 converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK [3] 53309 converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK [4] 53310 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK [1] 53316 converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK [2] 53317 converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK [3] 53318 converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK [4] 53319 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK [1] 53320 converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK [2] 53321 converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK [3] 53322 converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK [4] 53323 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK [1] 53325 converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK [2] 53326 converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK [3] 53327 converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK [4] 53328 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK [1] 53345 converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK [2] 53346 converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK [3] 53347 converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK [4] 53348 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_16_3_1.F to 32-bit integers for BLAS/LAPACK [1] 53349 converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK [2] 53350 converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK [3] 53351 converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK [4] 53352 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK [1] 53354 converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK [2] 53355 converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK [3] 53356 converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK [4] 53357 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK [1] 53364 converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK [2] 53365 converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK [3] 53366 converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK [4] 53367 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK [1] 53368 converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK [2] 53369 converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK [3] 53370 converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK [4] 53371 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK [1] 53373 converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK [2] 53374 converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK [3] 53375 converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 53376 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK [1] 53377 converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK [2] 53378 converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK [3] 53379 converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK [4] 53381 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_19.F to 32-bit integers for BLAS/LAPACK [1] 53387 converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK [2] 53388 converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK [3] 53389 converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK [4] 53390 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_21_1_1.F to 32-bit integers for BLAS/LAPACK [1] 53392 converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK [2] 53393 converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 53394 converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK [4] 53395 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK [1] 53402 converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK [2] 53403 converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK [3] 53404 converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 53405 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK [1] 53406 converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK [2] 53407 converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK [3] 53408 converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 53409 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 53410 converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK [2] 53411 converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK [3] 53412 converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK [4] 53413 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK [1] 53414 converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK [2] 53415 converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK [3] 53416 converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK [4] 53417 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK [1] 53419 converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK [2] 53420 converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK [3] 53421 converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK [4] 53422 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK [1] 53423 converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK [2] 53424 converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK [3] 53425 converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK [4] 53426 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK [1] 53433 converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK [2] 53434 converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK [3] 53435 converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 53436 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK [1] 53437 converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK [2] 53438 converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK [3] 53439 converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 53440 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK [1] 53441 converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK [2] 53442 converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK [3] 53443 converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK [4] 53444 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK [1] 53446 converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK [2] 53447 converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK [3] 53448 converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK [4] 53449 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK [1] 53456 converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK [2] 53457 converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK [3] 53458 converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK [4] 53459 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK [1] 53460 converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK [2] 53461 converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK [3] 53462 converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK [4] 53463 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK [1] 53464 converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK [2] 53465 converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK [3] 53466 converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK [4] 53467 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK [1] 53469 converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK [2] 53470 converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK [3] 53471 converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK [4] 53472 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK [1] 53473 converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 53474 converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 53475 converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK [4] 53476 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK [1] 53483 converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK [2] 53484 converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK [3] 53485 converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK [4] 53486 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK [1] 53487 converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK [2] 53488 converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK [3] 53489 converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK [4] 53490 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK [1] 53491 converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK [2] 53492 converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK [3] 53493 converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK [4] 53494 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK [1] 53496 converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK [2] 53497 converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK [3] 53498 converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK [4] 53499 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK [1] 53500 converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK [2] 53501 converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK [3] 53502 converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK [4] 53503 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK [1] 53504 converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK [2] 53505 converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK [3] 53506 converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK [4] 53507 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8.F to 32-bit integers for BLAS/LAPACK [1] 53514 converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK [2] 53515 converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK [3] 53516 converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK [4] 53517 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_9_4_2.F to 32-bit integers for BLAS/LAPACK [1] 53518 converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK [2] 53519 converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK [3] 53520 converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK [4] 53521 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK [1] 53522 converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK [2] 53523 converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK [3] 53524 converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK [4] 53525 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_9.F to 32-bit integers for BLAS/LAPACK [1] 53527 converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 53528 converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK [3] 53529 converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK [4] 53530 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK [1] 53531 converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK [2] 53532 converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK [3] 53533 converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK [4] 53534 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK [1] 53541 converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK [2] 53542 converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK [3] 53543 converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK [4] 53544 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK [1] 53546 converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK [2] 53547 converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK [3] 53548 converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK [4] 53549 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK [1] 53550 converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK [2] 53551 converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK [3] 53552 converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK [4] 53553 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK [1] 53555 converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK [2] 53556 converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK [3] 53557 converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK [4] 53558 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK [1] 53559 converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK [2] 53560 converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK [3] 53561 converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK [4] 53562 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11.F to 32-bit integers for BLAS/LAPACK [1] 53569 converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK [2] 53570 converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK [3] 53571 converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK [4] 53572 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK [1] 53573 converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK [2] 53574 converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK [3] 53575 converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK [4] 53576 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK [1] 53578 converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK [2] 53579 converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK [3] 53580 converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK [4] 53581 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK [1] 53583 converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK [2] 53584 converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK [3] 53585 converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK [4] 53586 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK [1] 53592 converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK [2] 53593 converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK [3] 53594 converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK [4] 53595 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_15.F to 32-bit integers for BLAS/LAPACK [1] 53596 converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK [2] 53597 converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK [3] 53598 converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK [4] 53599 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK [1] 53601 converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK [2] 53602 converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK [3] 53603 converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK [4] 53604 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_18.F to 32-bit integers for BLAS/LAPACK [1] 53611 converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK [2] 53612 converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK [3] 53613 converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK [4] 53614 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK [1] 53615 converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK [2] 53616 converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK [3] 53617 converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK [4] 53618 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK [1] 53619 converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK [2] 53620 converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK [3] 53621 converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK [4] 53622 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK [1] 53624 converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 53625 converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK [3] 53626 converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK [4] 53627 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_23_2_1.F to 32-bit integers for BLAS/LAPACK [1] 53634 converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK [2] 53635 converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK [3] 53636 converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK [4] 53637 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK [1] 53638 converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK [2] 53639 converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK [3] 53640 converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK [4] 53641 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_24.F to 32-bit integers for BLAS/LAPACK [1] 53642 converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK [2] 53643 converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK [3] 53644 converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK [4] 53645 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_26_1_1.F to 32-bit integers for BLAS/LAPACK [1] 53647 converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK [2] 53648 converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 53649 converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK [4] 53650 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK [1] 53657 converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK [2] 53658 converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK [3] 53659 converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 53660 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_3.F to 32-bit integers for BLAS/LAPACK [1] 53661 converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK [2] 53662 converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK [3] 53663 converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK [4] 53664 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK [1] 53665 converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK [2] 53666 converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK [3] 53667 converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK [4] 53668 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK [1] 53669 converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 53670 converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK [3] 53671 converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK [4] 53672 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK [1] 53674 converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK [2] 53675 converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK [3] 53676 converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK [4] 53677 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK [1] 53678 converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK [2] 53679 converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK [3] 53680 converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK [4] 53681 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda3.F to 32-bit integers for BLAS/LAPACK [1] 53688 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in eomccsdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 eomccsdt_denominator.F eomccsdt_density1_1_1.F eomccsdt_density1_1_2.F eomccsdt_density1_1_3.F eomccsdt_density1_1.F eomccsdt_density1_2_1.F eomccsdt_density1_2_2_1.F eomccsdt_density1_2_2.F eomccsdt_density1_2.F eomccsdt_density1_3_1.F eomccsdt_density1_3_2.F eomccsdt_density1_3_3.F eomccsdt_density1_3_4_1.F eomccsdt_density1_3_4_2.F eomccsdt_density1_3_4_3.F eomccsdt_density1_3_4.F eomccsdt_density1_3_5_1.F eomccsdt_density1_3_5_2.F eomccsdt_density1_3_5.F eomccsdt_density1_3_6_1.F eomccsdt_density1_3_6.F eomccsdt_density1_3.F eomccsdt_density1_4_1.F eomccsdt_density1_4_2_1.F eomccsdt_density1_4_2.F eomccsdt_density1_4.F eomccsdt_density1_5_10_1.F eomccsdt_density1_5_10_2_1.F eomccsdt_density1_5_10_2_2.F eomccsdt_density1_5_10_2.F eomccsdt_density1_5_10_3_1.F eomccsdt_density1_5_10_3.F eomccsdt_density1_5_10.F eomccsdt_density1_5_11_1.F eomccsdt_density1_5_11.F eomccsdt_density1_5_12_1.F eomccsdt_density1_5_12.F eomccsdt_density1_5_13_1_1.F eomccsdt_density1_5_13_1.F eomccsdt_density1_5_13.F eomccsdt_density1_5_1.F eomccsdt_density1_5_2.F eomccsdt_density1_5_3_1.F eomccsdt_density1_5_3_2.F eomccsdt_density1_5_3_3.F eomccsdt_density1_5_3_4_1.F eomccsdt_density1_5_3_4_2.F eomccsdt_density1_5_3_4_3.F eomccsdt_density1_5_3_4.F eomccsdt_density1_5_3_5_1.F eomccsdt_density1_5_3_5_2.F eomccsdt_density1_5_3_5.F eomccsdt_density1_5_3_6_1.F eomccsdt_density1_5_3_6.F eomccsdt_density1_5_3.F eomccsdt_density1_5_4_1.F eomccsdt_density1_5_4_2.F eomccsdt_density1_5_4_3.F eomccsdt_density1_5_4.F eomccsdt_density1_5_5_1.F eomccsdt_density1_5_5_2.F eomccsdt_density1_5_5_3.F eomccsdt_density1_5_5.F eomccsdt_density1_5_6_1.F eomccsdt_density1_5_6_2.F eomccsdt_density1_5_6.F eomccsdt_density1_5_7_1.F eomccsdt_density1_5_7.F eomccsdt_density1_5_8_1.F eomccsdt_density1_5_8_2.F eomccsdt_density1_5_8_3.F eomccsdt_density1_5_8.F eomccsdt_density1_5_9_1.F eomccsdt_density1_5_9_2.F eomccsdt_density1_5_9.F eomccsdt_density1_5.F eomccsdt_density1_6_1.F eomccsdt_density1_6_2.F eomccsdt_density1_6_3_1.F eomccsdt_density1_6_3_2.F eomccsdt_density1_6_3.F eomccsdt_density1_6_4_1.F eomccsdt_density1_6_4_2.F eomccsdt_density1_6_4.F eomccsdt_density1_6_5_1.F eomccsdt_density1_6_5.F eomccsdt_density1_6.F eomccsdt_x1a.F eomccsdt_x1.F eomccsdt_x2a_all12.F eomccsdt_x2a_all15.F eomccsdt_x2a_all18.F eomccsdt_x2a_all3.F eomccsdt_x2a_all6.F eomccsdt_x2a_all9.F eomccsdt_x2_all12.F eomccsdt_x2_all15.F eomccsdt_x2_all18.F eomccsdt_x2_all3.F eomccsdt_x2_all6.F eomccsdt_x2_all9.F eomccsdt_x3a_all12.F eomccsdt_x3a_all15.F eomccsdt_x3a_all17.F eomccsdt_x3a_all3.F eomccsdt_x3a_all6.F eomccsdt_x3a_all9.F eomccsdt_x3_all12.F eomccsdt_x3_all15.F eomccsdt_x3_all17.F eomccsdt_x3_all3.F eomccsdt_x3_all6.F eomccsdt_x3_all9.F eomccsdt_y1_all12.F eomccsdt_y1_all15.F eomccsdt_y1_all18.F eomccsdt_y1_all20.F eomccsdt_y1_all3.F eomccsdt_y1_all6.F eomccsdt_y1_all9.F eomccsdt_y2_all12.F eomccsdt_y2_all15.F eomccsdt_y2_all18.F eomccsdt_y2_all21.F eomccsdt_y2_all24.F eomccsdt_y2_all25.F eomccsdt_y2_all3.F eomccsdt_y2_all6.F eomccsdt_y2_all9.F eomccsdt_y3.F converting eomccsdt_denominator.F to 32-bit integers for BLAS/LAPACK [1] 54496 converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 54497 converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK [3] 54498 converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK [4] 54499 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_1.F to 32-bit integers for BLAS/LAPACK [1] 54501 converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 54502 converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK [3] 54503 converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 54504 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_2.F to 32-bit integers for BLAS/LAPACK [1] 54505 converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 54506 converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 54507 converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK [4] 54508 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_3_4_1.F to 32-bit integers for BLAS/LAPACK [1] 54515 converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK [2] 54516 converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK [3] 54517 converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK [4] 54518 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK [1] 54519 converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK [2] 54520 converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK [3] 54521 converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK [4] 54522 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_3_6.F to 32-bit integers for BLAS/LAPACK [1] 54523 converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK [2] 54524 converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 54525 converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK [4] 54526 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_4_2.F to 32-bit integers for BLAS/LAPACK [1] 54528 converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK [2] 54529 converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK [3] 54530 converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK [4] 54531 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_10_2_2.F to 32-bit integers for BLAS/LAPACK [1] 54532 converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK [2] 54533 converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK [3] 54534 converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK [4] 54535 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_10.F to 32-bit integers for BLAS/LAPACK [1] 54542 converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK [2] 54543 converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK [3] 54544 converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK [4] 54545 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_12.F to 32-bit integers for BLAS/LAPACK [1] 54546 converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK [2] 54547 converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK [3] 54548 converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK [4] 54549 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_1.F to 32-bit integers for BLAS/LAPACK [1] 54550 converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK [2] 54551 converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK [3] 54552 converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK [4] 54553 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_3_3.F to 32-bit integers for BLAS/LAPACK [1] 54555 converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK [2] 54556 converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK [3] 54557 converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK [4] 54558 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_3_4.F to 32-bit integers for BLAS/LAPACK [1] 54559 converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK [2] 54560 converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK [3] 54561 converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK [4] 54562 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_3_6_1.F to 32-bit integers for BLAS/LAPACK [1] 54569 converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK [2] 54570 converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK [3] 54571 converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK [4] 54572 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK [1] 54573 converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK [2] 54574 converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK [3] 54575 converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK [4] 54576 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK [1] 54577 converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK [2] 54578 converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK [3] 54579 converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK [4] 54580 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK [1] 54582 converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK [2] 54583 converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK [3] 54584 converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK [4] 54585 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK [1] 54586 converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK [2] 54587 converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK [3] 54588 converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK [4] 54589 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK [1] 54590 converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK [2] 54591 converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK [3] 54592 converting eomccsdt_density1_5.F to 32-bit integers for BLAS/LAPACK [4] 54593 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_6_1.F to 32-bit integers for BLAS/LAPACK [1] 54594 converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK [2] 54595 converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK [3] 54596 converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 54597 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_6_3.F to 32-bit integers for BLAS/LAPACK [1] 54604 converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 54605 converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK [3] 54606 converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK [4] 54607 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK [1] 54608 converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK [2] 54609 converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK [3] 54610 converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK [4] 54611 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x1.F to 32-bit integers for BLAS/LAPACK [1] 54640 converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK [2] 54641 converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK [3] 54642 converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK [4] 54643 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x2a_all3.F to 32-bit integers for BLAS/LAPACK [1] 54835 converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK [2] 54836 converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK [3] 54837 converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK [4] 54838 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x2_all15.F to 32-bit integers for BLAS/LAPACK [1] 54840 converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK [2] 54841 converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK [3] 54842 converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK [4] 54843 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x2_all9.F to 32-bit integers for BLAS/LAPACK [1] 54844 converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK [2] 54845 converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK [3] 54846 converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK [4] 54847 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x3a_all3.F to 32-bit integers for BLAS/LAPACK [1] 54848 converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK [2] 54849 converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK [3] 54850 converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK [4] 54851 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x3_all15.F to 32-bit integers for BLAS/LAPACK [1] 54852 converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK [2] 54853 converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK [3] 54854 converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK [4] 54855 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x3_all9.F to 32-bit integers for BLAS/LAPACK [1] 54866 converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK [2] 54867 converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK [3] 54868 converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK [4] 54869 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y1_all20.F to 32-bit integers for BLAS/LAPACK [1] 54924 converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK [2] 54925 converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK [3] 54926 converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK [4] 54927 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y2_all12.F to 32-bit integers for BLAS/LAPACK [1] 55045 converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK [2] 55046 converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK [3] 55047 converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK [4] 55048 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y2_all24.F to 32-bit integers for BLAS/LAPACK [1] 55286 converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK [2] 55287 converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK [3] 55288 converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK [4] 55289 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y2_all9.F to 32-bit integers for BLAS/LAPACK [1] 55439 converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK [2] 55440 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsd_alpha /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 alpha_1_1_1.F alpha_1_1_2.F alpha_1_1_3_1.F alpha_1_1_3_2.F alpha_1_1_3.F alpha_1_1_4_1.F alpha_1_1_4_2.F alpha_1_1_4.F alpha_1_1_5_1.F alpha_1_1_5.F alpha_1_1_6_1.F alpha_1_1_6.F alpha_1_1.F alpha_1_2_1.F alpha_1_2_2.F alpha_1_2.F alpha_1_3_1.F alpha_1_3.F alpha_1_4_1.F alpha_1_4.F alpha_1.F alpha_2_1_1.F alpha_2_1.F alpha_2_2_1_1.F alpha_2_2_1_2.F alpha_2_2_1.F alpha_2_2_2_1.F alpha_2_2_2_2.F alpha_2_2_2.F alpha_2_2_3_1.F alpha_2_2_3.F alpha_2_2_4_1.F alpha_2_2_4.F alpha_2_2.F alpha_2_3_1_1.F alpha_2_3_1_2.F alpha_2_3_1_3_1.F alpha_2_3_1_3.F alpha_2_3_1_4_1.F alpha_2_3_1_4.F alpha_2_3_1.F alpha_2_3_2_1.F alpha_2_3_2_2.F alpha_2_3_2_3_1.F alpha_2_3_2_3.F alpha_2_3_2_4_1.F alpha_2_3_2_4.F alpha_2_3_2.F alpha_2_3_3_1.F alpha_2_3_3.F alpha_2_3_4_1.F alpha_2_3_4.F alpha_2_3_5_1.F alpha_2_3_5.F alpha_2_3_6_1.F alpha_2_3_6.F alpha_2_3_7_1.F alpha_2_3_7.F alpha_2_3_8_1.F alpha_2_3_8.F alpha_2_3_9_1_1.F alpha_2_3_9_1.F alpha_2_3_9_2_1.F alpha_2_3_9_2.F alpha_2_3_9.F alpha_2_3.F alpha_2_4_1_1.F alpha_2_4_1.F alpha_2_4.F alpha_2_5_10_1_1.F alpha_2_5_10_1.F alpha_2_5_10_2_1.F alpha_2_5_10_2.F alpha_2_5_10_3_1.F alpha_2_5_10_3.F alpha_2_5_10_4_1.F alpha_2_5_10_4.F alpha_2_5_10_5_1.F alpha_2_5_10_5.F alpha_2_5_10_6_1.F alpha_2_5_10_6.F alpha_2_5_10_7_1.F alpha_2_5_10_7.F alpha_2_5_10_8_1_1.F alpha_2_5_10_8_1.F alpha_2_5_10_8.F alpha_2_5_10.F alpha_2_5_11_1_1.F alpha_2_5_11_1.F alpha_2_5_1_1.F alpha_2_5_11.F alpha_2_5_12_1_1.F alpha_2_5_12_1.F alpha_2_5_1_2.F alpha_2_5_12.F alpha_2_5_13_1_1.F alpha_2_5_1_3_1.F alpha_2_5_13_1.F alpha_2_5_13_2_1.F alpha_2_5_13_2.F alpha_2_5_1_3.F alpha_2_5_13.F alpha_2_5_14_1_1.F alpha_2_5_14_1.F alpha_2_5_14_2_1.F alpha_2_5_14_2.F alpha_2_5_14.F alpha_2_5_1.F alpha_2_5_2_1.F alpha_2_5_2.F alpha_2_5_3_1.F alpha_2_5_3_2.F alpha_2_5_3.F alpha_2_5_4_1.F alpha_2_5_4_2_1.F alpha_2_5_4_2.F alpha_2_5_4.F alpha_2_5_5_1.F alpha_2_5_5_2.F alpha_2_5_5.F alpha_2_5_6_1.F alpha_2_5_6.F alpha_2_5_7_1.F alpha_2_5_7.F alpha_2_5_8_1.F alpha_2_5_8.F alpha_2_5_9_1.F alpha_2_5_9.F alpha_2_5.F alpha_2_6_1_1.F alpha_2_6_1.F alpha_2_6.F alpha_2_7_1_1.F alpha_2_7_1_2_1.F alpha_2_7_1_2.F alpha_2_7_1.F alpha_2_7_2_1.F alpha_2_7_2.F alpha_2_7_3_1.F alpha_2_7_3.F alpha_2_7_4_1.F alpha_2_7_4_2_1.F alpha_2_7_4_2.F alpha_2_7_4.F alpha_2_7_5_1.F alpha_2_7_5.F alpha_2_7_6_1.F alpha_2_7_6.F alpha_2_7_7_1_1.F alpha_2_7_7_1.F alpha_2_7_7.F alpha_2_7.F alpha_2_8_1_1.F alpha_2_8_1.F alpha_2_8_2_1.F alpha_2_8_2.F alpha_2_8_3_1.F alpha_2_8_3.F alpha_2_8_4_1_1.F alpha_2_8_4_1_2_1.F alpha_2_8_4_1_2.F alpha_2_8_4_1.F alpha_2_8_4_2_1.F alpha_2_8_4_2.F alpha_2_8_4_3_1.F alpha_2_8_4_3_2_1.F alpha_2_8_4_3_2.F alpha_2_8_4_3.F alpha_2_8_4_4_1.F alpha_2_8_4_4.F alpha_2_8_4_5_1_1.F alpha_2_8_4_5_1.F alpha_2_8_4_5.F alpha_2_8_4.F alpha_2_8_5_1_1.F alpha_2_8_5_1.F alpha_2_8_5_2_1.F alpha_2_8_5_2.F alpha_2_8_5.F alpha_2_8_6_1_1.F alpha_2_8_6_1.F alpha_2_8_6_2_1.F alpha_2_8_6_2.F alpha_2_8_6_3_1.F alpha_2_8_6_3.F alpha_2_8_6_4_1.F alpha_2_8_6_4.F alpha_2_8_6.F alpha_2_8_7_1_1.F alpha_2_8_7_1.F alpha_2_8_7.F alpha_2_8_8_1_1.F alpha_2_8_8_1.F alpha_2_8_8.F alpha_2_8.F alpha_2.F dip_r_1_1.F dip_r_1_2.F dip_r_1.F dip_r_2.F dip_r.F converting alpha_1_1_1.F to 32-bit integers for BLAS/LAPACK [1] 56727 converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK [2] 56728 converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 56729 converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 56730 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_1_3.F to 32-bit integers for BLAS/LAPACK [1] 56755 converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 56756 converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK [3] 56757 converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK [4] 56758 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_1_5_1.F to 32-bit integers for BLAS/LAPACK [1] 56772 converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK [2] 56773 converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK [3] 56774 converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK [4] 56775 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_1.F to 32-bit integers for BLAS/LAPACK [1] 56796 converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 56797 converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 56798 converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK [4] 56799 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 56818 converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK [2] 56819 converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 56820 converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK [4] 56821 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1.F to 32-bit integers for BLAS/LAPACK [1] 56852 converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK [2] 56853 converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK [3] 56854 converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 56855 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_2_1_2.F to 32-bit integers for BLAS/LAPACK [1] 56886 converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK [2] 56887 converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK [3] 56888 converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 56889 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_2_2.F to 32-bit integers for BLAS/LAPACK [1] 56912 converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK [2] 56913 converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 56914 converting alpha_2_2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 56915 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_2_4.F to 32-bit integers for BLAS/LAPACK [1] 56950 converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK [2] 56951 converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK [3] 56952 converting alpha_2_3_1_2.F to 32-bit integers for BLAS/LAPACK [4] 56953 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 56992 converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK [2] 56993 converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 56994 converting alpha_2_3_1_4.F to 32-bit integers for BLAS/LAPACK [4] 56995 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_1.F to 32-bit integers for BLAS/LAPACK [1] 57006 converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 57007 converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 57008 converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK [4] 57009 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_2_3.F to 32-bit integers for BLAS/LAPACK [1] 57010 converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK [2] 57011 converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK [3] 57012 converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 57013 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 57014 converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK [2] 57015 converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK [3] 57016 converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK [4] 57017 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_5_1.F to 32-bit integers for BLAS/LAPACK [1] 57018 converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK [2] 57019 converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK [3] 57020 converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK [4] 57021 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_7_1.F to 32-bit integers for BLAS/LAPACK [1] 57022 converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK [2] 57023 converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK [3] 57024 converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK [4] 57025 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK [1] 57030 converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK [2] 57031 converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK [3] 57032 converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK [4] 57033 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_9.F to 32-bit integers for BLAS/LAPACK [1] 57056 converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK [2] 57057 converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 57058 converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 57059 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_4.F to 32-bit integers for BLAS/LAPACK [1] 57078 converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK [2] 57079 converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK [3] 57080 converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK [4] 57081 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_2.F to 32-bit integers for BLAS/LAPACK [1] 57100 converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK [2] 57101 converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK [3] 57102 converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK [4] 57103 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_4.F to 32-bit integers for BLAS/LAPACK [1] 57125 converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK [2] 57127 converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK [3] 57129 converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK [4] 57131 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_6.F to 32-bit integers for BLAS/LAPACK [1] 57178 converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK [2] 57179 converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK [3] 57180 converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 57181 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_8_1.F to 32-bit integers for BLAS/LAPACK [1] 57238 converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK [2] 57239 converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK [3] 57240 converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK [4] 57241 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_11_1.F to 32-bit integers for BLAS/LAPACK [1] 57293 converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK [2] 57294 converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK [3] 57296 converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK [4] 57298 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_12_1.F to 32-bit integers for BLAS/LAPACK [1] 57346 converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK [2] 57347 converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK [3] 57348 converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK [4] 57349 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 57394 converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK [2] 57395 converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK [3] 57396 converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK [4] 57397 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_1_3.F to 32-bit integers for BLAS/LAPACK [1] 57419 converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK [2] 57420 converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK [3] 57421 converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK [4] 57422 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_14_2_1.F to 32-bit integers for BLAS/LAPACK [1] 57480 converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK [2] 57481 converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK [3] 57482 converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK [4] 57483 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_2_1.F to 32-bit integers for BLAS/LAPACK [1] 57513 converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK [2] 57514 converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK [3] 57515 converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK [4] 57516 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_3.F to 32-bit integers for BLAS/LAPACK [1] 57531 converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK [2] 57532 converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK [3] 57533 converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK [4] 57534 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_4.F to 32-bit integers for BLAS/LAPACK [1] 57536 converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK [2] 57537 converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK [3] 57538 converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK [4] 57540 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_6_1.F to 32-bit integers for BLAS/LAPACK [1] 57563 converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK [2] 57564 converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK [3] 57565 converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK [4] 57566 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_8_1.F to 32-bit integers for BLAS/LAPACK [1] 57591 converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK [2] 57592 converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK [3] 57593 converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK [4] 57594 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5.F to 32-bit integers for BLAS/LAPACK [1] 57597 converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 57598 converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK [3] 57599 converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK [4] 57600 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_1_1.F to 32-bit integers for BLAS/LAPACK [1] 57601 converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 57602 converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK [3] 57603 converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK [4] 57604 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_2_1.F to 32-bit integers for BLAS/LAPACK [1] 57605 converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK [2] 57606 converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK [3] 57607 converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK [4] 57608 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_4_1.F to 32-bit integers for BLAS/LAPACK [1] 57609 converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 57610 converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK [3] 57611 converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK [4] 57612 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_5_1.F to 32-bit integers for BLAS/LAPACK [1] 57613 converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK [2] 57614 converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK [3] 57615 converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK [4] 57616 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_7_1_1.F to 32-bit integers for BLAS/LAPACK [1] 57620 converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK [2] 57621 converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK [3] 57622 converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK [4] 57623 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_1_1.F to 32-bit integers for BLAS/LAPACK [1] 57627 converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK [2] 57628 converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK [3] 57629 converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK [4] 57630 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_3_1.F to 32-bit integers for BLAS/LAPACK [1] 57643 converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK [2] 57644 converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 57645 converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 57646 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_1_2.F to 32-bit integers for BLAS/LAPACK [1] 57651 converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK [2] 57652 converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK [3] 57653 converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK [4] 57654 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK [1] 57656 converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 57657 converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK [3] 57658 converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK [4] 57659 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK [1] 57678 converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK [2] 57679 converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 57680 converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK [4] 57681 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_5.F to 32-bit integers for BLAS/LAPACK [1] 57690 converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK [2] 57691 converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 57692 converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK [4] 57693 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_5_2_1.F to 32-bit integers for BLAS/LAPACK [1] 57702 converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK [2] 57703 converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK [3] 57704 converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 57705 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_6_1.F to 32-bit integers for BLAS/LAPACK [1] 57707 converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 57708 converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK [3] 57709 converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK [4] 57710 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_6_3.F to 32-bit integers for BLAS/LAPACK [1] 57714 converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 57715 converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK [3] 57716 converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK [4] 57717 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_7_1_1.F to 32-bit integers for BLAS/LAPACK [1] 57718 converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK [2] 57719 converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK [3] 57720 converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 57721 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_8_1.F to 32-bit integers for BLAS/LAPACK [1] 57724 converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK [2] 57725 converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK [3] 57726 converting alpha_2.F to 32-bit integers for BLAS/LAPACK [4] 57727 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dip_r_1_1.F to 32-bit integers for BLAS/LAPACK [1] 57748 converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK [2] 57749 converting dip_r_1.F to 32-bit integers for BLAS/LAPACK [3] 57750 converting dip_r_2.F to 32-bit integers for BLAS/LAPACK [4] 57751 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dip_r.F to 32-bit integers for BLAS/LAPACK [1] 57761 [1] Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsd_beta /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 beta_1_all.F beta_2_all.F beta_3_all.F beta_4_all.F beta_1_3_3_1_1.F beta_1_4_1_2_1.F beta_1_3_1_4_1.F beta_3_7_5_1_1.F beta_3_1_3_1.F beta_3_2_1_2.F beta_1_4_2_2.F beta_1_3_4_1.F beta_1_4_1_4.F beta_1_3_1_7.F beta_3_7_2_1.F beta_3_2_9_2.F beta_3_3_1.F beta_4_1_2.F beta_3_2_3.F beta_3_4_11_1.F beta_3_4_10_3.F beta_1_4_5.F beta_1_3_7.F beta_1_4_1_1_2_1.F beta_4_3.F beta_3_5.F beta_1_4_2_1_1.F beta_1_4_6_3_1.F beta_3_7_4_3_1.F beta_3_2_2_1.F beta_1_4_3_1.F beta_3_2_1_3.F beta_3_4_10_1_1.F beta_1_4_1_5.F beta_1_3_1_8.F beta_3_6_4_1.F beta_3_4_7_1.F beta_4_2_1.F beta_3_2_4.F beta_1_4_6.F beta_3_4_10_4.F beta_1_3_8.F beta_4_4.F beta_3_6.F beta_3_7_4_5_1_1.F beta_1_1_1_1_1.F beta_1_4_1_3_1.F beta_1_3_1_5_1.F beta_3_6_1_2_1.F beta_3_6_7_1_1.F beta_3_7_5_2_1.F beta_3_7_4_3_2.F beta_3_3_1_1.F beta_3_2_2_2.F beta_3_1_4_1.F beta_3_2_1_4.F beta_1_3_5_1.F beta_1_4_3_2.F beta_3_7_3_1.F beta_3_6_4_2.F beta_3_4_1.F beta_3_4_12_1.F beta_3_2_5.F beta_3_4_10_5.F beta_1_4_6_1_1_1.F beta_3_7.F beta_1_3_4_1_1.F beta_1_4_2_2_1.F beta_1_4_1_3_2.F beta_3_4_4_2_1.F beta_3_7_6_1_1.F beta_3_7_4_4_1.F beta_3_2_3_1.F beta_3_4_10_2_1.F beta_3_2_2_3.F beta_1_4_4_1.F beta_1_4_3_3.F beta_3_6_5_1.F beta_3_4_8_1.F beta_4_3_1.F beta_3_4_2.F beta_3_2_6.F beta_3_4_10_6.F beta_1_1_1_2_1.F beta_1_4_3_1_1.F beta_3_2_1_3_1.F beta_1_4_1_4_1.F beta_1_3_1_6_1.F beta_1_1_1_1.F beta_3_4_11_1_1.F beta_1_3_6_1.F beta_3_2_2_4.F beta_1_4_3_4.F beta_3_7_4_1.F beta_4_3_2.F beta_3_5_1.F beta_3_4_3.F beta_3_4_13_1.F beta_3_2_7.F beta_3_4_10_7.F beta_1_1_2_1_1.F beta_3_7_6_2_1.F beta_3_7_4_5_1.F beta_1_1_1_2.F beta_3_4_1_1.F beta_3_2_4_1.F beta_1_4_5_1.F beta_3_4_10_3_1.F beta_1_3_6_2.F beta_3_7_4_2.F beta_3_6_6_1.F beta_3_4_9_1.F beta_4_4_1.F beta_4_3_3.F beta_3_4_4.F beta_3_4_13_2.F beta_3_2_8.F beta_3_4_10_8.F beta_1_4_6_2_1_1.F beta_1_3_8_1_1_1.F beta_1_2_1_1_1.F beta_1_4_3_2_1.F beta_1_3_5_1_1.F beta_3_2_1_4_1.F beta_1_4_1_5_1.F beta_1_3_1_7_1.F beta_3_7_7_1_1.F beta_1_1_2_1.F beta_3_4_1_2.F beta_1_3_7_1.F beta_3_7_5_1.F beta_3_7_4_3.F beta_1_1_1.F beta_3_6_1.F beta_4_3_4.F beta_3_4_14_1.F beta_3_4_5.F beta_3_2_9.F beta_1_4_1_3_2_1.F beta_1_1_2_2_1.F beta_1_4_4_1_1.F beta_3_2_2_3_1.F beta_3_7_6_3_1.F beta_1_2_1_1.F beta_1_1_2_2.F beta_3_4_2_1.F beta_3_2_5_1.F beta_3_4_12_1_1.F beta_3_4_1_3.F beta_1_4_6_1.F beta_3_4_10_4_1.F beta_1_3_7_2.F beta_3_7_5_2.F beta_3_6_7_1.F beta_3_7_4_4.F beta_1_1_2.F beta_3_6_2.F beta_4_3_5.F beta_3_4_14_2.F beta_3_4_6.F beta_3_7_4_1_2_1.F beta_1_1_3_1_1.F beta_1_4_3_3_1.F beta_1_3_1_8_1.F beta_3_2_9_1_1.F beta_2_1_1_1.F beta_1_1_3_1.F beta_4_3_2_1.F beta_3_5_1_1.F beta_1_4_6_2.F beta_1_3_8_1.F beta_3_7_6_1.F beta_3_7_4_5.F beta_1_2_1.F beta_1_1_3.F beta_3_7_1.F beta_3_6_3.F beta_3_4_7.F beta_1_1.F beta_1_4_6_3_1_1.F beta_1_2_2_1_1.F beta_1_3_6_1_1.F beta_3_2_2_4_1.F beta_3_4_10_8_1_1.F beta_3_7_8_1_1.F beta_3_7_6_4_1.F beta_2_1_1_2.F beta_1_2_2_1.F beta_1_1_3_2.F beta_4_3_2_2.F beta_3_4_3_1.F beta_3_2_6_1.F beta_3_4_10_5_1.F beta_1_4_6_3.F beta_3_7_6_2.F beta_2_1_1.F beta_1_2_2.F beta_3_7_2.F beta_3_6_4.F beta_3_4_8.F beta_1_2.F beta_1_3_1_1_1.F beta_1_1_3_2_1.F beta_1_4_5_1_1.F beta_1_4_3_4_1.F beta_3_2_9_2_1.F beta_2_1_2_1.F beta_1_3_1_1.F beta_4_3_3_1.F beta_3_4_3_2.F beta_3_4_13_1_1.F beta_3_7_7_1.F beta_3_7_6_3.F beta_1_3_1.F beta_2_1_2.F beta_1_2_3.F beta_3_7_3.F beta_3_6_5.F beta_3_4_9.F beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F beta_2_1_2_2.F beta_1_3_1_2.F beta_1_2_3_1.F beta_3_6_1_1.F beta_3_4_4_1.F beta_4_3_3_2.F beta_3_2_7_1.F beta_3_4_10_6_1.F beta_3_7_6_4.F beta_2_1_3.F beta_1_3_2.F beta_3_7_4.F beta_3_6_6.F beta_1_4.F beta_3_4_10.F beta_1_3_1_2_1.F beta_1_2_3_1_1.F beta_3_4_1_3_1.F beta_1_3_7_1_1.F beta_3_1_1_1.F beta_1_3_2_1.F beta_2_1_3_1.F beta_1_3_1_3.F beta_4_3_4_1.F beta_3_6_1_2.F beta_3_4_13_2_1.F beta_3_4_4_2.F beta_3_7_8_1.F beta_3_1_1.F beta_1_4_1.F beta_1_3_3.F beta_2_1_4.F beta_3_7_5.F beta_3_6_7.F beta_3_1.F beta_3_4_11.F beta_1_3_2_1_1.F beta_1_4_6_1_1.F beta_3_7_4_1_1.F beta_1_4_1_1.F beta_3_1_1_2.F beta_1_3_1_4.F beta_3_6_2_1.F beta_3_4_14_1_1.F beta_3_4_5_1.F beta_3_2_8_1.F beta_3_4_10_7_1.F beta_3_1_2.F beta_1_4_2.F beta_1_3_4.F beta_3_7_6.F beta_3_2.F beta_3_4_12.F beta_3_7_4_3_2_1.F beta_1_4_1_1_1.F beta_1_3_1_3_1.F beta_1_3_7_2_1.F beta_3_7_4_1_2.F beta_3_1_2_1.F beta_1_4_1_2.F beta_1_3_3_1.F beta_2_1_4_1.F beta_1_3_1_5.F beta_3_7_1_1.F beta_4_3_5_1.F beta_3_4_5_2.F beta_3_2_1.F beta_3_1_3.F beta_1_4_3.F beta_3_4_10_1.F beta_1_3_5.F beta_3_7_7.F beta_4_1.F beta_3_3.F beta_3_4_13.F beta_1_3_1_8_1_1.F beta_1_4_1_1_2.F beta_1_4_6_2_1.F beta_1_3_8_1_1.F beta_3_7_4_2_1.F beta_3_2_1_1.F beta_1_4_2_1.F beta_3_1_2_2.F beta_1_4_1_3.F beta_1_3_1_6.F beta_3_6_3_1.F beta_3_4_14_2_1.F beta_3_4_6_1.F beta_3_2_9_1.F beta_3_4_10_8_1.F beta_4_1_1.F beta_3_2_2.F beta_3_1_4.F beta_1_4_4.F beta_3_4_10_2.F beta_1_3_6.F beta_3_7_8.F beta_4_2.F beta_3_4.F beta_3_4_14.F converting beta_1_all.F to 32-bit integers for BLAS/LAPACK [1] 58700 converting beta_2_all.F to 32-bit integers for BLAS/LAPACK [2] 58701 converting beta_3_all.F to 32-bit integers for BLAS/LAPACK [3] 58702 converting beta_4_all.F to 32-bit integers for BLAS/LAPACK [4] 58703 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59253 converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 59254 converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 59255 converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK [4] 59256 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK [1] 59257 converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK [2] 59258 converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK [3] 59259 converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK [4] 59260 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_4.F to 32-bit integers for BLAS/LAPACK [1] 59261 converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK [2] 59262 converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK [3] 59263 converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK [4] 59264 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 59265 converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK [2] 59266 converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK [3] 59267 converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK [4] 59268 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_3.F to 32-bit integers for BLAS/LAPACK [1] 59269 converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK [2] 59270 converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK [3] 59271 converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 59272 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_3.F to 32-bit integers for BLAS/LAPACK [1] 59273 converting beta_3_5.F to 32-bit integers for BLAS/LAPACK [2] 59274 converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 59275 converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK [4] 59276 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_3_1.F to 32-bit integers for BLAS/LAPACK [1] 59277 converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK [2] 59278 converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK [3] 59279 converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK [4] 59280 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59312 converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK [2] 59313 converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK [3] 59314 converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK [4] 59315 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_7_1.F to 32-bit integers for BLAS/LAPACK [1] 59331 converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 59332 converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK [3] 59333 converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK [4] 59334 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_4.F to 32-bit integers for BLAS/LAPACK [1] 59399 converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK [2] 59400 converting beta_4_4.F to 32-bit integers for BLAS/LAPACK [3] 59401 converting beta_3_6.F to 32-bit integers for BLAS/LAPACK [4] 59402 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_5_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59405 converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 59406 converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 59407 converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK [4] 59408 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_1_2_1.F to 32-bit integers for BLAS/LAPACK [1] 59419 converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK [2] 59420 converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK [3] 59421 converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK [4] 59423 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59468 converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 59469 converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 59470 converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 59472 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK [1] 59505 converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK [2] 59506 converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK [3] 59507 converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK [4] 59508 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1.F to 32-bit integers for BLAS/LAPACK [1] 59511 converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK [2] 59512 converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK [3] 59513 converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK [4] 59514 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_6_1_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59542 converting beta_3_7.F to 32-bit integers for BLAS/LAPACK [2] 59543 converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 59544 converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 59545 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_3_2.F to 32-bit integers for BLAS/LAPACK [1] 59624 converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 59625 converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK [3] 59626 converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK [4] 59627 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_3_1.F to 32-bit integers for BLAS/LAPACK [1] 59758 converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK [2] 59759 converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 59760 converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK [4] 59761 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_3.F to 32-bit integers for BLAS/LAPACK [1] 59811 converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK [2] 59812 converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK [3] 59814 converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK [4] 59815 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_2.F to 32-bit integers for BLAS/LAPACK [1] 59839 converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK [2] 59840 converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK [3] 59841 converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 59842 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59846 converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 59847 converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 59848 converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK [4] 59849 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59850 converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK [2] 59851 converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK [3] 59852 converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK [4] 59853 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_4.F to 32-bit integers for BLAS/LAPACK [1] 59854 converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK [2] 59855 converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK [3] 59856 converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK [4] 59857 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_3.F to 32-bit integers for BLAS/LAPACK [1] 59860 converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK [2] 59861 converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK [3] 59862 converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK [4] 59863 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_2_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59865 converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 59866 converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK [3] 59867 converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK [4] 59868 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59870 converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK [2] 59871 converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK [3] 59872 converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK [4] 59873 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_6_2.F to 32-bit integers for BLAS/LAPACK [1] 59874 converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK [2] 59875 converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK [3] 59876 converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK [4] 59877 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_4_1.F to 32-bit integers for BLAS/LAPACK [1] 59918 converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK [2] 59920 converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK [3] 59921 converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK [4] 59923 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_8.F to 32-bit integers for BLAS/LAPACK [1] 59927 converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK [2] 59928 converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 59929 converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK [4] 59930 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_1_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59931 converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 59932 converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 59933 converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK [4] 59934 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_5_1.F to 32-bit integers for BLAS/LAPACK [1] 59936 converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK [2] 59937 converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK [3] 59938 converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 59939 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1_2.F to 32-bit integers for BLAS/LAPACK [1] 59950 converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK [2] 59951 converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK [3] 59952 converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK [4] 59953 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_1.F to 32-bit integers for BLAS/LAPACK [1] 59981 converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK [2] 59982 converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK [3] 59983 converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK [4] 59984 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_5.F to 32-bit integers for BLAS/LAPACK [1] 60001 converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK [2] 60002 converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 60003 converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 60004 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_4_1_1.F to 32-bit integers for BLAS/LAPACK [1] 60034 converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK [2] 60035 converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK [3] 60036 converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60037 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 60072 converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 60073 converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK [3] 60074 converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60075 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1_3.F to 32-bit integers for BLAS/LAPACK [1] 60083 converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK [2] 60084 converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK [3] 60085 converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK [4] 60086 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_5_2.F to 32-bit integers for BLAS/LAPACK [1] 60088 converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK [2] 60089 converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK [3] 60090 converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK [4] 60091 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_2.F to 32-bit integers for BLAS/LAPACK [1] 60092 converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK [2] 60093 converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK [3] 60094 converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK [4] 60095 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [1] 60096 converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK [2] 60097 converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK [3] 60098 converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK [4] 60099 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_9_1_1.F to 32-bit integers for BLAS/LAPACK [1] 60110 converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 60111 converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 60112 converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [4] 60113 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_5_1_1.F to 32-bit integers for BLAS/LAPACK [1] 60143 converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK [2] 60144 converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK [3] 60145 converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK [4] 60146 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_5.F to 32-bit integers for BLAS/LAPACK [1] 60164 converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 60165 converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK [3] 60166 converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK [4] 60167 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_3.F to 32-bit integers for BLAS/LAPACK [1] 60171 converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK [2] 60172 converting beta_1_1.F to 32-bit integers for BLAS/LAPACK [3] 60173 converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60174 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_2_1_1.F to 32-bit integers for BLAS/LAPACK [1] 60200 converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 60201 converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK [3] 60202 converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60204 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_8_1_1.F to 32-bit integers for BLAS/LAPACK [1] 60207 converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 60208 converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK [3] 60209 converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 60210 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_3_2.F to 32-bit integers for BLAS/LAPACK [1] 60211 converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK [2] 60212 converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK [3] 60213 converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK [4] 60214 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_5_1.F to 32-bit integers for BLAS/LAPACK [1] 60215 converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK [2] 60216 converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK [3] 60217 converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60218 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 60219 converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK [2] 60220 converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK [3] 60221 converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK [4] 60222 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2.F to 32-bit integers for BLAS/LAPACK [1] 60235 converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 60236 converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 60237 converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60238 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_4_1.F to 32-bit integers for BLAS/LAPACK [1] 60253 converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK [2] 60254 converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 60255 converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60256 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 60284 converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK [2] 60285 converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK [3] 60286 converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK [4] 60287 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_6_3.F to 32-bit integers for BLAS/LAPACK [1] 60303 converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 60304 converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK [3] 60305 converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK [4] 60306 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_3.F to 32-bit integers for BLAS/LAPACK [1] 60341 converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK [2] 60342 converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK [3] 60343 converting beta_2_1.F to 32-bit integers for BLAS/LAPACK [4] 60344 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3.F to 32-bit integers for BLAS/LAPACK [1] 60351 converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK [2] 60352 converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK [3] 60353 converting beta_3_6_4_2_1.F to 32-bit integers for BLAS/LAPACK [4] 60354 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK [1] 60400 converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK [2] 60401 converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK [3] 60402 converting beta_3_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60403 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_4_1.F to 32-bit integers for BLAS/LAPACK [1] 60465 converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 60466 converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK [3] 60468 converting beta_3_4_10_6_1.F to 32-bit integers for BLAS/LAPACK [4] 60469 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_6_4.F to 32-bit integers for BLAS/LAPACK [1] 60520 converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK [2] 60521 converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 60522 converting beta_3_7_4.F to 32-bit integers for BLAS/LAPACK [4] 60523 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_6.F to 32-bit integers for BLAS/LAPACK [1] 60581 converting beta_1_4.F to 32-bit integers for BLAS/LAPACK [2] 60582 converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK [3] 60583 converting beta_1_3_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 60585 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 60636 converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 60637 converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK [3] 60638 converting beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60639 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [1] 60672 converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 60675 converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK [3] 60676 converting beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK [4] 60677 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_1_2.F to 32-bit integers for BLAS/LAPACK [1] 60703 converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK [2] 60704 converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK [3] 60706 converting beta_3_7_8_1.F to 32-bit integers for BLAS/LAPACK [4] 60708 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_1.F to 32-bit integers for BLAS/LAPACK [1] 60751 converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 60752 converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK [3] 60753 converting beta_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 60754 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_5.F to 32-bit integers for BLAS/LAPACK [1] 60767 converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK [2] 60768 converting beta_3_1.F to 32-bit integers for BLAS/LAPACK [3] 60769 converting beta_3_4_11.F to 32-bit integers for BLAS/LAPACK [4] 60770 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_2_1_1.F to 32-bit integers for BLAS/LAPACK [1] 60786 converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 60787 converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 60788 converting beta_1_4_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60789 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK [1] 60811 converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK [2] 60812 converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK [3] 60813 converting beta_3_4_14_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60814 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_5_1.F to 32-bit integers for BLAS/LAPACK [1] 60861 converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK [2] 60863 converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK [3] 60864 converting beta_3_1_2.F to 32-bit integers for BLAS/LAPACK [4] 60865 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_2.F to 32-bit integers for BLAS/LAPACK [1] 60891 converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK [2] 60892 converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK [3] 60893 converting beta_3_2.F to 32-bit integers for BLAS/LAPACK [4] 60894 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_12.F to 32-bit integers for BLAS/LAPACK [1] 60895 converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 60896 converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK [3] 60897 converting beta_1_3_1_3_1.F to 32-bit integers for BLAS/LAPACK [4] 60898 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_7_2_1.F to 32-bit integers for BLAS/LAPACK [1] 60899 converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK [2] 60900 converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 60901 converting beta_1_4_1_2.F to 32-bit integers for BLAS/LAPACK [4] 60902 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK [1] 60921 converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 60922 converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK [3] 60923 converting beta_3_7_1_1.F to 32-bit integers for BLAS/LAPACK [4] 60925 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK [1] 60979 converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK [2] 60980 converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 60982 converting beta_3_1_3.F to 32-bit integers for BLAS/LAPACK [4] 60983 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3.F to 32-bit integers for BLAS/LAPACK [1] 60999 converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK [2] 61000 converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK [3] 61001 converting beta_3_7_7.F to 32-bit integers for BLAS/LAPACK [4] 61002 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_1.F to 32-bit integers for BLAS/LAPACK [1] 61009 converting beta_3_3.F to 32-bit integers for BLAS/LAPACK [2] 61011 converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK [3] 61012 converting beta_1_3_1_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 61013 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_1_2.F to 32-bit integers for BLAS/LAPACK [1] 61033 converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 61034 converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK [3] 61035 converting beta_3_7_4_2_1.F to 32-bit integers for BLAS/LAPACK [4] 61036 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_1_1.F to 32-bit integers for BLAS/LAPACK [1] 61075 converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 61076 converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 61077 converting beta_1_4_1_3.F to 32-bit integers for BLAS/LAPACK [4] 61078 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_1_6.F to 32-bit integers for BLAS/LAPACK [1] 61125 converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK [2] 61126 converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK [3] 61127 converting beta_3_4_6_1.F to 32-bit integers for BLAS/LAPACK [4] 61129 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_9_1.F to 32-bit integers for BLAS/LAPACK [1] 61152 converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK [2] 61153 converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 61154 converting beta_3_2_2.F to 32-bit integers for BLAS/LAPACK [4] 61155 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_4.F to 32-bit integers for BLAS/LAPACK [1] 61156 converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK [2] 61157 converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK [3] 61158 converting beta_1_3_6.F to 32-bit integers for BLAS/LAPACK [4] 61159 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_8.F to 32-bit integers for BLAS/LAPACK [1] 61160 converting beta_4_2.F to 32-bit integers for BLAS/LAPACK [2] 61161 converting beta_3_4.F to 32-bit integers for BLAS/LAPACK [3] 61162 converting beta_3_4_14.F to 32-bit integers for BLAS/LAPACK [4] 61163 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsd_yr /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccsd_y_o1.F ccsd_y_o2.F ccsd_yr1.F ccsd_yr2.F ccsd_y_tr1.F ccsd_y_tr2.F alpha_2_yr.F ccsd_lr_d1_hh.F ccsd_lr_d1_ph.F ccsd_lr_d1_hp.F ccsd_lr_d1_pp.F converting ccsd_y_o1.F to 32-bit integers for BLAS/LAPACK [1] 62173 converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK [2] 62174 converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK [3] 62176 converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK [4] 62177 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_y_tr1.F to 32-bit integers for BLAS/LAPACK [1] 63409 converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK [2] 63410 converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK [3] 63411 converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK [4] 63412 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_lr_d1_ph.F to 32-bit integers for BLAS/LAPACK [1] 63874 converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK [2] 63875 converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK [3] 63876 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in response /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK [1] 64607 converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK [2] 64608 converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK [3] 64609 converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK [4] 64610 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK [1] 64611 converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK [2] 64612 converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK [3] 64613 converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK [4] 64614 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK [1] 64615 converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK [2] 64616 converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK [3] 64617 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in mrcc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I./include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 tce_mrcc_energy.F tce_mrcc_readref.F tce_mrcc_calcexcit.F tce_mrcc_sortint.F tce_mrcc_tile.F tce_mrcc_macpy.F tce_mrcc_fillindexarray.F tce_mrcc_uhf.F create_mr_evl_sorted.F pgcreatefile.F tce_mrcc_mo2e.F tce_mrcc_ao2e.F tce_subnxtask.F tce_mrcc_sublock.F eaf_mrcc.F tce_t3ac_offset.F tce_t4ac_offset.F tce_mrcc_refs_sym.F tce_mrcc_force_orben.F tce_mrcc_diis_init.F tce_mrcc_heff.F tce_mrcc_diis.F tce_mrcc_jacobi_t1.F tce_mrcc_jacobi_t2.F tce_mrcc_gacp.F tce_mrcc_daxfile.F tce_mrcc_diis_tidy.F tce_jacobi_sub_t1.F tce_jacobi_sub_t2.F tce_mrcc_c1.F tce_mrcc_c1_offset.F tce_mrcc_c2.F tce_mrcc_c2_offset.F tce_mrcc_mul_1.F tce_mrcc_mul_2.F tce_mrcc_diis_save.F tce_mrcc_diis_new.F tce_mrcc_create_cas1.F new_ga4ind_N5uhf_mrcc_lm2.F converting tce_mrcc_energy.F to 32-bit integers for BLAS/LAPACK [1] 65347 converting tce_mrcc_readref.F to 32-bit integers for BLAS/LAPACK [2] 65348 converting tce_mrcc_calcexcit.F to 32-bit integers for BLAS/LAPACK [3] 65349 converting tce_mrcc_sortint.F to 32-bit integers for BLAS/LAPACK [4] 65350 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_tile.F to 32-bit integers for BLAS/LAPACK [1] 65351 converting tce_mrcc_macpy.F to 32-bit integers for BLAS/LAPACK [2] 65352 converting tce_mrcc_fillindexarray.F to 32-bit integers for BLAS/LAPACK [3] 65353 converting tce_mrcc_uhf.F to 32-bit integers for BLAS/LAPACK [4] 65354 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting create_mr_evl_sorted.F to 32-bit integers for BLAS/LAPACK [1] 65355 converting pgcreatefile.F to 32-bit integers for BLAS/LAPACK [2] 65356 converting tce_mrcc_mo2e.F to 32-bit integers for BLAS/LAPACK [3] 65357 converting tce_mrcc_ao2e.F to 32-bit integers for BLAS/LAPACK [4] 65358 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_subnxtask.F to 32-bit integers for BLAS/LAPACK [1] 65359 converting tce_mrcc_sublock.F to 32-bit integers for BLAS/LAPACK [2] 65360 converting eaf_mrcc.F to 32-bit integers for BLAS/LAPACK [3] 65361 converting tce_t3ac_offset.F to 32-bit integers for BLAS/LAPACK [4] 65362 Could not open file: tce_mrcc_sublock.F.65360 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Exit 2 ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_t4ac_offset.F to 32-bit integers for BLAS/LAPACK [1] 65363 converting tce_mrcc_refs_sym.F to 32-bit integers for BLAS/LAPACK [2] 65364 converting tce_mrcc_force_orben.F to 32-bit integers for BLAS/LAPACK [3] 65365 converting tce_mrcc_diis_init.F to 32-bit integers for BLAS/LAPACK [4] 65366 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_heff.F to 32-bit integers for BLAS/LAPACK [1] 65367 converting tce_mrcc_diis.F to 32-bit integers for BLAS/LAPACK [2] 65368 converting tce_mrcc_jacobi_t1.F to 32-bit integers for BLAS/LAPACK [3] 65369 converting tce_mrcc_jacobi_t2.F to 32-bit integers for BLAS/LAPACK [4] 65370 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_gacp.F to 32-bit integers for BLAS/LAPACK [1] 65371 converting tce_mrcc_daxfile.F to 32-bit integers for BLAS/LAPACK [2] 65372 converting tce_mrcc_diis_tidy.F to 32-bit integers for BLAS/LAPACK [3] 65373 converting tce_jacobi_sub_t1.F to 32-bit integers for BLAS/LAPACK [4] 65374 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_jacobi_sub_t2.F to 32-bit integers for BLAS/LAPACK [1] 65375 converting tce_mrcc_c1.F to 32-bit integers for BLAS/LAPACK [2] 65376 converting tce_mrcc_c1_offset.F to 32-bit integers for BLAS/LAPACK [3] 65377 converting tce_mrcc_c2.F to 32-bit integers for BLAS/LAPACK [4] 65378 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_c2_offset.F to 32-bit integers for BLAS/LAPACK [1] 65379 converting tce_mrcc_mul_1.F to 32-bit integers for BLAS/LAPACK [2] 65380 converting tce_mrcc_mul_2.F to 32-bit integers for BLAS/LAPACK [3] 65381 converting tce_mrcc_diis_save.F to 32-bit integers for BLAS/LAPACK [4] 65382 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_diis_new.F to 32-bit integers for BLAS/LAPACK [1] 65383 converting tce_mrcc_create_cas1.F to 32-bit integers for BLAS/LAPACK [2] 65384 converting new_ga4ind_N5uhf_mrcc_lm2.F to 32-bit integers for BLAS/LAPACK [3] 65385 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary Making 64_to_32 in ccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 mr_ccsd_e.F mr_ccsd_t1.F mr_ccsd_t2.F mr_ccsd_dcl.F T2_C2_1.F T2_C2.F T2_pg_C2_1.F T2_pg_C2.F converting mr_ccsd_e.F to 32-bit integers for BLAS/LAPACK [1] 1637 converting mr_ccsd_t1.F to 32-bit integers for BLAS/LAPACK [2] 1638 converting mr_ccsd_t2.F to 32-bit integers for BLAS/LAPACK [3] 1639 converting mr_ccsd_dcl.F to 32-bit integers for BLAS/LAPACK [4] 1640 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting T2_C2_1.F to 32-bit integers for BLAS/LAPACK [1] 1641 converting T2_C2.F to 32-bit integers for BLAS/LAPACK [2] 1642 converting T2_pg_C2_1.F to 32-bit integers for BLAS/LAPACK [3] 1643 converting T2_pg_C2.F to 32-bit integers for BLAS/LAPACK [4] 1644 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsd_sub /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 ccsd_st1.F ccsd_st2.F ccsd_se.F ccsd_dcl_sub.F converting ccsd_st1.F to 32-bit integers for BLAS/LAPACK [1] 2376 converting ccsd_st2.F to 32-bit integers for BLAS/LAPACK [2] 2377 converting ccsd_se.F to 32-bit integers for BLAS/LAPACK [3] 2378 converting ccsd_dcl_sub.F to 32-bit integers for BLAS/LAPACK [4] 2379 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in ccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 tce_mrcc_q3vnt1.F tce_mrcc_q3vnt2.F tce_mrcc_q3fnt2.F tce_mrcc_ccsdpt.F tce_mrcc_ccsdpt_subg.F tce_mrcc_q3vnt1_subg.F tce_mrcc_q3fnt2_subg.F converting tce_mrcc_q3vnt1.F to 32-bit integers for BLAS/LAPACK [1] 3109 converting tce_mrcc_q3vnt2.F to 32-bit integers for BLAS/LAPACK [2] 3110 converting tce_mrcc_q3fnt2.F to 32-bit integers for BLAS/LAPACK [3] 3111 converting tce_mrcc_ccsdpt.F to 32-bit integers for BLAS/LAPACK [4] 3112 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_ccsdpt_subg.F to 32-bit integers for BLAS/LAPACK [1] 3113 converting tce_mrcc_q3vnt1_subg.F to 32-bit integers for BLAS/LAPACK [2] 3114 converting tce_mrcc_q3fnt2_subg.F to 32-bit integers for BLAS/LAPACK [3] 3115 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 64_to_32 in uss /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 tce_uss_offdiagonal_1.F tce_uss_offdiagonal_2.F tce_uss_offdiagonal_3.F tce_uss_offdiagonal_4.F ccsd_r3.F ccsd_r4.F tce_uss_aux.F tce_uss_T1_R1.F tce_uss_T2_R2.F converting tce_uss_offdiagonal_1.F to 32-bit integers for BLAS/LAPACK [1] 3845 converting tce_uss_offdiagonal_2.F to 32-bit integers for BLAS/LAPACK [2] 3846 converting tce_uss_offdiagonal_3.F to 32-bit integers for BLAS/LAPACK [3] 3847 converting tce_uss_offdiagonal_4.F to 32-bit integers for BLAS/LAPACK [4] 3848 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_r3.F to 32-bit integers for BLAS/LAPACK [1] 3849 converting ccsd_r4.F to 32-bit integers for BLAS/LAPACK [2] 3850 converting tce_uss_aux.F to 32-bit integers for BLAS/LAPACK [3] 3851 converting tce_uss_T1_R1.F to 32-bit integers for BLAS/LAPACK [4] 3852 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_uss_T2_R2.F to 32-bit integers for BLAS/LAPACK [1] 3853 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK [1] 4586 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 mm_input.F converting mm_input.F to 32-bit integers for BLAS/LAPACK [1] 5317 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 gibbs.F converting gibbs.F to 32-bit integers for BLAS/LAPACK [1] 7515 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../basis -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/64_to_32 qmr_real.F dimqm_main.F converting qmr_real.F to 32-bit integers for BLAS/LAPACK [1] 9704 converting dimqm_main.F to 32-bit integers for BLAS/LAPACK [2] 9705 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 64_to_32 : no conversion necessary touch 64_to_32 make[2]: Leaving directory '/build/nwchem-6.8.1/src' find src -name include_stamp | xargs rm -f find src -name dependencies | xargs rm -f (cd /build/nwchem-6.8.1/src && make) make[2]: Entering directory '/build/nwchem-6.8.1/src' test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/nwchem-6.8.1/lib/LINUX64 || mkdir -p /build/nwchem-6.8.1/lib/LINUX64 test -d /build/nwchem-6.8.1/bin/LINUX64 || mkdir -p /build/nwchem-6.8.1/bin/LINUX64 ./util/util_nwchem_version.bash Making libraries in include for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm 64to32blas; do \ echo Making include_stamp in /build/nwchem-6.8.1/src/$dir ; \ (cd /build/nwchem-6.8.1/src/$dir; make include_stamp) ; \ done Making include_stamp in /build/nwchem-6.8.1/src/include Nothing to be done Making include_stamp in /build/nwchem-6.8.1/src/basis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/geom /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p geom.fh geomP.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/inp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p inp.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/input /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/pstat /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p pstat.fh pstat_consts.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/rtdb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in hdbm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p hdbm.h /build/nwchem-6.8.1/src/include touch include_stamp cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/task /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/symmetry /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p sym.fh ../NWints/auxil/spcartP.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/util /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in md5 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p checksum.h /build/nwchem-6.8.1/src/include touch include_stamp cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh vtune.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/peigs touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/perfm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p dist.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/bq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p bq.fh bq_params.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/cons /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/NWints /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in api /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in int /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p sh_order.fh case.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in auxil /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p spcartP.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in ints_sp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in deriv /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ../int/sh_order.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in texas /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p screened_op.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in ecp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ecp_nwc.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in hondo /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in rel /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in dk /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in simint /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in module /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in source /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/atomscf /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/ddscf /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in fast /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cint2esave.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/gradients /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/moints /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p moints_stats.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/nwdft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I./include -I./grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in input_dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in scf_dft /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory cp -p dftps.fh dft_fdist.fh dft_conv.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in scf_dft_cg /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in so_dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in xc cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in util /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in grid /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in dftgrad /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lr_tddft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lr_tddft_grad /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in zora /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in spec cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory touch include_stamp Making include_stamp in rt_tddft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in matutils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p matutils.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in rtutils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in input /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in init /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in canorg /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in propagators /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in closedshell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in openshell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /build/nwchem-6.8.1/src/include touch include_stamp cp -p ../ddscf/cosmo.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/rimp2 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/stepper /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/driver /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/optim /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in deloc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mepgs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in tropt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in neb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in string /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/cphf /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/ccsd cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/vib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/mcscf /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in detci /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/prepar /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/esp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/hessian /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in analytic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in dft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp cp -p hess_info.fh /build/nwchem-6.8.1/src/include touch include_stamp touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/selci /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/mp2_grad /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/qhop /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/property /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p prop.fh atomdata.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/solvation /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/nwpw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in nwpwlib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in Parallel /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p stupid_mpi4.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in D1dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in D3dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in Pneb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in K1dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in C3dB /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in DMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in CMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in TMatrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in control /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lattice /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in io /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in shake /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp cp -p ../../nwpwlib/utilities/beom.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in pseudopotential /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_atom /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_utilities /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp cp -p bafdecls.fh btdb.fh beom.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in unitcell /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in brillouin_zone /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in fractional /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p frac_occ.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in linesearch /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in timing /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ewald /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in thermostats /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in MetaDynamics /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in TAMD /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in FMM /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in md_xs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in FEFF6L /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in nwpwxc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p nwpwxc.fh nwpwxc_param.fh /build/nwchem-6.8.1/src/include touch include_stamp touch include_stamp Making include_stamp in libraryps /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in pspw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in exchange-correlation /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in sic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ion /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in psp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in aorbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in truncating_function /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in kbpp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in makepsi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cgsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in analysis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in APC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in qmmm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in pspw_LJ /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in pspw_Q /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in pspw_Pair /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mmq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in charge /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lcao /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in paw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_geometry /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_geom.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_ma /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_ma.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_utils /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_basis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_basis.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_proj /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_proj.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_matrix /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_comp_charge_matrix.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_ovlp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_ovlp_data.fh paw_ovlp.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_comp_charge /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_comp_charge_data.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_special_functions /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_gaunt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_gaunt.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_kinetic /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_vloc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_vloc_atom.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_ion_potential /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_ion_atom.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_core /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_core_atom.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_hartree /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include/ -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_hartree_atom.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_comp_pot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_mult /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_mult_data.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_nonlocal /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in paw_density /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in paw_xc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_xc.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_force /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_force_data.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in paw_Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in paw_psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cgsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in band /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in minimizer /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in structure /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cell_optimize /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in kbpp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in makepsi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in cpsp /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in coulomb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in psi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in hfx /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in Grsm_list /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in borbs /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in dplot /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in analysis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in ofpw /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in minimizer /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cpsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lib /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in chi /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in electron /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ke /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in WGC /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp touch include_stamp touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/fft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in pfft1.0 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in fftpack /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in pfft /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in pfftwrap /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/python /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/python2.7 -I/usr/include -I/usr/Include -I/usr -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/analyz /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/nwmd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p nwmd_constants.fh md_common.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/cafe /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/space /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/drdy /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/vscf /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/qmmm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/qmd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ../util/util_params.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/etrans /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/tce /build/nwchem-6.8.1/bin/LINUX64/depend.x -I./include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in diis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in diis2 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in gradients /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_lambda /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in eomccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cr-eomccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lrh /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in emb /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lccd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in qcisd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cc3 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mbpt1 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mbpt2 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mbpt3 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mbpt4 /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cis /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cisd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cisdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cisdtq /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in eomccsd_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cr_eomccsd_t_act /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in sort /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in eaccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ipccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsdt_lambda /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in eomccsdt /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_alpha /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_beta /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_yr /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in response /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mrcc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../include -I./include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in include /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_sub /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_t /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in uss /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/bq make[4]: 'include_stamp' is up to date. Making include_stamp in /build/nwchem-6.8.1/src/mm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p mm.fh mm_params.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/cons make[4]: 'include_stamp' is up to date. Making include_stamp in /build/nwchem-6.8.1/src/perfm make[4]: 'include_stamp' is up to date. Making include_stamp in /build/nwchem-6.8.1/src/dntmc /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/dangchang /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/ccca /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../basis -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/dimqm /build/nwchem-6.8.1/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p dimqm.fh dimqm_constants.fh /build/nwchem-6.8.1/src/include touch include_stamp Making include_stamp in /build/nwchem-6.8.1/src/64to32blas /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp Making libraries in basis Compiling basis.F... basis.F:599:0: dum_stdtag(tmp2:) = star_bas_typ(i_tag) Warning: '__builtin_memset' specified size between 18446744073709551362 and 18446744073709551615 exceeds maximum object size 9223372036854775807 [-Wstringop-overflow=] Compiling bas_input.F... Compiling bas_contrib.F... Compiling bas_checksum.F... Compiling basisP.F... Compiling bas_blas.F... Compiling bas_blasP.F... Compiling bas_vec_info.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a echo /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a Making libraries in geom Compiling geom.F... Compiling geom_input.F... Compiling geom_input2.F... Compiling geom_3d.F... Compiling geom_2d.F... Compiling geom_1d.F... Compiling geom_numcore.F... Compiling geom_checksum.F... Compiling geom_print_ecce.F... Compiling geom_freeze.F... Compiling geom_fragment.F... Compiling geom_getsym.F... Compiling geom_hnd.F... geom_hnd.F:4625:12: 120 DO 260 NR=1,N2 2 IK=IA(NR+1)+NR 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a Making libraries in inp Compiling c_inp.c... Compiling hnd_rdfree.F... Compiling inp.F... inp.F:27:19: data xback /'\\'/ ! Backslash ... note backslash for cpp 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) inp.F:1370:37: do i = 1, 3*max_width+80+6 2 csave(i,save_level) = cdata(i) 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: do i = 1, 9+4*max_field 2 isave(i,save_level) = idata(i) 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: do i = 1, 3*max_width+80+6 2 cdata(i) = csave(i,save_level) 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: do i = 1, 9+4*max_field 2 idata(i) = isave(i,save_level) 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) Compiling inp_irange.F... Compiling inp_ilist.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a Making libraries in input Compiling input_parse.F... Compiling input_mem.F... Compiling memory_input.F... Compiling input_set.F... Compiling input_title.F... Compiling get_inp_file.F... Compiling memory_def.F... Compiling speech_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwctask.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a echo /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a Making libraries in pstat Compiling pstat_init.F... Compiling pstat_term.F... Compiling pstat_alloc.F... Compiling pstat_on.F... Compiling pstat_off.F... Compiling pstat_pr_all.F... Compiling pstat_free.F... Compiling pstat_pr_han.F... Compiling pstat_pr_det.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a Making libraries in rtdb Compiling rtdb_f2c.c... Compiling rtdb.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] Integer type = msg_type; ^~~~ Compiling rtdb_seq.c... rtdb_seq.c: In function 'ma_print': rtdb_seq.c:134:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] nprint += fprintf(file, "%d ", ((Integer *) p)[i]); ~^ ~~~~~~~~~~~~~~~~~~ %ld Compiling context.c... context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] static void context_print() ^~~~~~~~~~~~~ Compiling context_f2c.c... Making all in hdbm Compiling hdbm.c... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a hdbm.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a Making libraries in task Compiling task_energy.F... Compiling task_gradient.F... Compiling task_optimize.F... Compiling task_freq.F... Compiling task_hessian.F... Compiling task_dynamics.F... Compiling task_thermo.F... Compiling task_et.F... Compiling task_save_state.F... Compiling task.F... Compiling task_input.F... Compiling task_shell_input.F... Compiling task_num_grad.F... Compiling task_vscf.F... Compiling task_property.F... Compiling task_dntmc.F... Compiling task_bsse.F... task_bsse.F:1826:0: filehess=filehess(1:lenhess)//'.'//j_mon_name Warning: '__builtin_memcpy' forming offset [256, 9223372036854775807] is out of the bounds [0, 255] of object 'filehess' with type 'character(kind=1)[1:255]' [-Warray-bounds] task_bsse.F:1712:0: character*(nw_max_path_len) filehess note: 'filehess' declared here task_bsse.F:1789:0: filehess=filehess(1:lenhess)//'.'//j_mon_name Warning: '__builtin_memcpy' forming offset [256, 9223372036854775807] is out of the bounds [0, 255] of object 'filehess' with type 'character(kind=1)[1:255]' [-Warray-bounds] task_bsse.F:1712:0: character*(nw_max_path_len) filehess note: 'filehess' declared here task_bsse.F:1789:0: filehess=filehess(1:lenhess)//'.'//j_mon_name Warning: '__builtin_memset' specified size between 9223372036854776064 and 18446744073709551615 exceeds maximum object size 9223372036854775807 [-Wstringop-overflow=] task_bsse.F:1826:0: filehess=filehess(1:lenhess)//'.'//j_mon_name Warning: '__builtin_memset' specified size between 9223372036854776064 and 18446744073709551615 exceeds maximum object size 9223372036854775807 [-Wstringop-overflow=] Compiling task_jefftce.F... Compiling task_ncc.F... Compiling task_rfcf.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwctask.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a /build/nwchem-6.8.1/lib/LINUX64/libnwctask.a Making libraries in symmetry Compiling dosymops.F... Compiling gensym.f... Compiling gensym_extra.F... Compiling sym_vec_sym.F... Compiling ludcmp.F... Compiling mprint.f... Compiling opprint.f... Compiling sym_put_geom.F... Compiling spgen.F... Compiling sym_map.F... Compiling sym_nwc.F... Compiling sym_apply_op.F... Compiling sym_get_cart.F... sym_get_cart.F:74:34: sym_get_cart.F:68:72: do j = 1, 4 2 sym_get_cart.F:74:34: $ amatrix_inv(k,j,geom) 1 Warning: Array reference at (1) out of bounds (4 > 3) in loop beginning at (2) Compiling sym_grp_name.F... Compiling sym_ap_cart.F... Compiling sym_cent_map.F... Compiling sym_num_ops.F... Compiling sym_ops_get.F... Compiling sym_pr_all.F... Compiling sym_geom_prj.F... Compiling cross_prod.F... Compiling sym_op_cname.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... Compiling sym_bs_irrep.F... Compiling sym_op_type.F... Compiling sym_char_tab.F... Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... Compiling sym_g_sym.F... Compiling wrcell.F... Compiling dctr.f... dctr.f:232:18: dctr.f:229:72: do 20 j=1,4 2 dctr.f:232:18: trans(j)=0d0 1 Warning: Array reference at (1) out of bounds (4 > 3) in loop beginning at (2) Compiling sym_irrepname.F... Compiling sym_abelian.F... Compiling sym_mol.F... Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... Compiling sym_bs_ir_id.F... Compiling sym_sh_pair.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a Making libraries in util Compiling output.f... Compiling errquit.F... Compiling ffflush.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... Compiling util_host.c... Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... Compiling ga_iter_diag.F... Compiling ga_maxelt.F... Compiling nga_idamax.F... Compiling ga_pcg_min.F... Compiling line_search.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... Compiling ga_mix.F... Compiling ga_list.F... Compiling ga_it_proj.F... Compiling ga_screen.F... Compiling ga_get_diag.F... Compiling fortchar.c... fortchar.c: In function 'fcrcv_': fortchar.c:125:40: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds] } while ( clength == lenbuf && cstring[clength] != '\0'); ~~~~~~~^~~~~~~~~ Compiling seq_output.F... Compiling ga_mat2col.F... Compiling util_ch_brd.F... Compiling two_ind_trn.F... Compiling util_pname.F... Compiling sread.F... Compiling swrite.F... Compiling banner.f... Compiling util_print.F... Compiling util_module_avail.F... cp util_v_stub.F util_version.F Compiling util_version.F... Compiling util_nwchem_version.F... ./util_ga_version.bash Compiling util_ga_version.F... Compiling util_nwchem_paper.F... Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... Compiling mk_fit_xf.F... Compiling int_2c_ga.F... Compiling ga_local_mdot.F... Compiling util_cpusec.F... Compiling util_wallsec.F... Compiling gather.f... Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... Compiling util_legal.F... Compiling util_file_name.F... Compiling util_io_unit.F... Compiling util_speak.c... Compiling util_rtdb_speak.F... Compiling util_file_copy.c... util_file_copy.c: In function 'util_file_parallel_copy': util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; ^~~~~~~~ Compiling util_file_unlink.c... Compiling util_system.c... Compiling util_sleep.c... Compiling util_rtdb_state.F... Compiling ecce_print.c... Compiling util_random.F... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... Compiling util_nwchemrc.F... Compiling util_md.F... Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... Compiling util_wall_remain.c... Compiling ga_normf.F... Compiling corr_mk_ref.F... Compiling nw_inp_from_file.F... Compiling bgj.F... Compiling movecs_ecce.F... Compiling get_density.F... Compiling moeig_read.F... Compiling util_debug.c... Compiling util_erf.F... Compiling util_cflush.c... Compiling util_ascii_plot.F... Compiling util_length_scale.F... Compiling ga_it2.F... Compiling ga_lkain_ext.F... Compiling ma_print.F... Compiling freeze_input.F... Compiling ga_extra.F... Compiling util_test.F... Compiling util_ga_test.F... Compiling util.c... Compiling util_patch_test.F... Compiling util_ndim_test.F... Compiling util_perf_test.F... Compiling util_test_lu.F... Compiling util_test_eig.F... Compiling util_dra_test.F... Compiling util_eaf_test.F... Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... Compiling util_io.F... Compiling util_xyz.F... Compiling util_ma.F... Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... Compiling util_dgeev.F... Compiling util_nwsort.F... Compiling util_mygabcast.c... Compiling util_getppn.c... Compiling util_units.F... Compiling util_intrsc2008.F... Compiling util_fadvise.c... ./util_scalapack_info.bash Compiling util_scalapack_info.F... Compiling ga_conjg.F... Compiling nwmolden.F... Compiling ao_1prdm_read.F... Compiling ao_1prdm_write.F... Compiling linux_cpu.c... Compiling linux_shift.F... Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... Compiling linux_setfpucw.c... linux_setfpucw.c:13:20: warning: "/*" within comment [-Wcomment] /*#define FPSWAMOD /* this modifies fpswa behavior on ia64 */ /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include/x86_64-linux-gnu/mpi -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Compiling ga_matpow.F... Compiling util_pack.F... Compiling dabssum.F... Compiling dabsmax.F... Compiling dfill.F... Compiling ifill.f... Compiling mabyte_fill.F... Compiling zfill.f... Compiling ga_it_lsolve.F... ga_it_lsolve.F:235:0: convg_ratio = rnorm/rnorm_prev Warning: 'rnorm_prev' may be used uninitialized in this function [-Wmaybe-uninitialized] ga_it_lsolve.F:77:0: double precision rnorm, rnorm_prev, bnorm, convg_ratio note: 'rnorm_prev' was declared here Compiling ga_it_orth.F... Compiling ga_orthog.F... Compiling idamin.f... Compiling util_jacobi.F... Compiling util_rsg.f... util_rsg.f:146:0: if (dabs(e2(l)) .le. dabs(c/h)) go to 210 Warning: 'c' may be used uninitialized in this function [-Wmaybe-uninitialized] util_rsg.f:139:0: h = g * p / r Warning: 'b' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling stpr_sjacobi.F... Compiling util_memcpy.c... Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... nxtask.F:125:0: end Warning: '__result_nxtask0' may be used uninitialized in this function [-Wmaybe-uninitialized] nxtask.F:36:0: integer function nxtask0(nproc, ichunk, skipfirst) note: '__result_nxtask0' was declared here nxtask.F:36:0: Warning: '__result_nxtask0' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling util_mirror.F... Compiling ga_copy_dz.F... Compiling dgami.f... dgami.f:351:0: DCSEVL = 0.5D0*(B0-B2) Warning: 'b2' may be used uninitialized in this function [-Wmaybe-uninitialized] dgami.f:937:0: 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', Warning: 'i' may be used uninitialized in this function [-Wmaybe-uninitialized] dgami.f:874:0: IF (X.GT.0.D0) RETURN Warning: '__result_dlngam' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling util_eri_cholesky.F... Compiling util_test_cholesky.F... Compiling util_sillysort.F... Compiling icopy.f... Compiling dsum.f... Compiling dgefa.f... Compiling zsum.f... Making all in md5 Compiling md5wrap.c... md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) ^~~~~~~~~~~~~~~~~~~~~~ Compiling md5.c... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a md5wrap.o md5.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o icopy.o dsum.o dgefa.o zsum.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a /build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a Making libraries in peigs (make lib ) || exit 1 (cd ./src/c; make) Compiling clustrfix.c... clustrfix.c: In function 'clustrfix_': clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); ~^ ~~~~~~~~~~~~~~~~ %ld clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); ~^ ~~~~~~~~~~~~~~~~~~ %ld clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); ~^ ~~~~~~~~~~~~~~~~~~ %ld clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); ~^ ~~~~~~~~~~~~~~~~~~ %ld clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] DoublePrecision eps, xj1, xj2; ^~~ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] Integer me; ^~ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] Integer j, num_cls, num_all_cls; ^~~~~~~~~~~ clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] Integer jblk, nblk; ^~~~ At top level: clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] static Integer clustr_check(c1, cn, imin, imax) ^~~~~~~~~~~~ Compiling mgscs.c... mgscs.c: In function 'mgscs': mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); ~^ ~~ %ld Compiling pscale.c... pscale.c: In function 'pscale_': pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] nproc, msize, maxinfo; ^~~~~~~ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] nproc, msize, maxinfo; ^~~~~ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] Integer il, linfo, me, ^~ pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] Integer il, linfo, me, ^~~~~ Compiling clustrxx5.c... clustrxx5.c: In function 'clustrinv5_': clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; ^~~~ clustrxx5.c:513:44: warning: 'myindx' may be used uninitialized in this function [-Wmaybe-uninitialized] if( recv_num > 0 && ( myindx % 2 ) == 0 ) { ~~~~~~~~~~~~~~~^~~~ Compiling clustrxx4.c... clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] DoublePrecision eps; ^~~ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] Integer me, naproc, Zvec; ^~~~ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] Integer me, naproc, Zvec; ^~~~~~ Compiling pstein4.c... pstein4.c: In function 'pstein4': pstein4.c:242:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pstein4.c:242:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pstein4.c:310:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pstein4.c:310:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pstein4.c:474:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~ pstein4.c:474:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~~~~ pstein4.c:474:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~~~~~~ pstein4.c:158:24: warning: variable 'piwork' set but not used [-Wunused-but-set-variable] Integer **piwork, max_sz, sync_proc, numclstr; ^~~~~~ Compiling pstein5.c... pstein5.c: In function 'pstein5': pstein5.c:233:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] printf( " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pstein5.c:233:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] printf( " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pstein5.c:301:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] printf( " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pstein5.c:301:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] printf( " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pstein5.c:446:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~ pstein5.c:446:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~~~~ pstein5.c:446:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~~~~~~ pstein5.c:146:24: warning: variable 'piwork' set but not used [-Wunused-but-set-variable] Integer **piwork, max_sz, sync_proc; ^~~~~~ Compiling peigs_dlasq1.c... peigs_dlasq1.c: In function 'peigs_dlasq1': peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" error in ylasq1 info = %d \n", *info ); ~^ ~~~~~ %ld peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] sprintf( filename, "pdspevx.%d", me); ~^ ~~ %ld peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); ~^ ~~~ %ld peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] Integer i, j, iii, me, nproc; ^~~~~ Compiling b_ortho.c... b_ortho.c: In function 'b_ortho': b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ b_ortho.c:190:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ b_ortho.c:190:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ Compiling chol_bcst.c... chol_bcst.c: In function 'chol_pipe_bcast': chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] Integer *junk, k, isize; ^~~~~ Compiling choleski9.c... choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] long length, root; ^~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] long length, root; ^~~~~~ Compiling ci_entry.c... ci_entry.c: In function 'ci_entry': ci_entry.c:122:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); ~^ ~~~ %ld ci_entry.c:145:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("PeIGS: ci_entry_ :node %d : i < j \n", *me); ~^ ~~~ %ld ci_entry.c: In function 'ci_entry_': ci_entry.c:231:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); ~^ ~~~ %ld ci_entry.c:254:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf( "PeIGS: ci_entry_ :node %d : i < j \n", *me); ~^ ~~~ %ld ci_entry.c: In function 'ci_size_': ci_entry.c:321:20: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); ~^ ~~~ %ld ci_entry.c:321:56: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); ~^ ~~~ %ld ci_entry.c:321:68: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); ~^ ~~~~~~~~~ %ld ci_entry.c:335:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: ci_size_ node %d : Mapping problem\n", *me); ~^ ~~~ %ld ci_entry.c: In function 'fil_mapvec_': ci_entry.c:396:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); ~^ ~~~~~~~~~ %ld ci_entry.c:397:19: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("me = %d fil_mapvec_ \n", *me); ~^ ~~~ %ld ci_entry.c:402:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); ~^ ~~~~~~~~~ %ld ci_entry.c:402:60: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); ~^ ~~~ %ld ci_entry.c:403:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:408:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); ~^ ~~~ %ld ci_entry.c:409:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:413:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); ~^ ~~~ %ld ci_entry.c:414:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:418:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); ~^ ~~~ %ld ci_entry.c:420:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:427:42: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : 3rd argument error. \n", *me); ~^ ~~~ %ld ci_entry.c:428:28: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:432:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); ~^ ~~~ %ld ci_entry.c:433:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); ~^ ~~~ %ld ci_entry.c:435:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:446:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); ~^ ~~~ %ld ci_entry.c:447:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld Compiling conjug22.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] Integer *iscrat, *mapvecA, *mapvecB, *iptr; ^~~~ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] Integer i, me, nvecsA, nvecsB, linfo, id; ^~~~~ Compiling de_sym.c... de_sym.c: In function 'un_load': de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] Integer indx, jndx, j, k, icount; ^~~~~~ Compiling exit.c... exit.c: In function 'g_exit2_': exit.c:78:35: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "G_EXIT2: Node %d Error. A routine called g_exit2_, \n", me); ~^ ~~ %ld exit.c:79:65: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "Message from calling routine: %s node id = %d \n", array, me); ~^ ~~ %ld exit.c: In function 'g_exit_': exit.c:151:36: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "G_EXIT: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); ~^ ~~ %ld exit.c:164:41: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); ~^ ~~ %ld exit.c:164:51: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); ~^ ~~ %ld Compiling exit2.c... exit2.c: In function 'l_exit_': exit2.c:61:39: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); ~^ ~~ %ld exit2.c:61:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); ~^ ~~~~~ %ld Compiling forLL.c... Compiling forLU.c... Compiling gmax.c... Compiling inverse.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] Integer *junk, *ptr, k, isize; ^~~~~ inverse.c: In function 'inverseL': inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] Integer length; ^~~~~~ Compiling lu_mxm2.c... Compiling mapdif.c... mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] Integer me; ^~ Compiling mapdif1.c... mapdif1.c: In function 'mapdif1_': mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] Integer me; ^~ Compiling matmax.c... Compiling mdif2b.c... Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... memreq.c: In function 'memreq_': memreq.c:181:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); ~^ ~~ %ld memreq.c:197:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " me = %d error in mapZ in memreq.c \n",me); ~^ ~~ %ld memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; ^~~~~~ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] ptr_tred2, ptr_mxm25, ptr_pdspevx; ^~~~~~~~~ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] ptr_tred2, ptr_mxm25, ptr_pdspevx; ^~~~~~~~~ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, ^~~~~~~~~~~~~ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, ^~~~~~~ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, ^~~~~~~~~~ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, ^~~~~~~~~~~ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, ^~~~~~~~~~ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, ^~~~~~~~~~ memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] d_dstebz, d_pstebz, d_clustrf, d_inv_it, ^~~~~~~~~ Compiling memreq_f.c... memreq_f.c: In function 'fmemreq_': memreq_f.c:168:26: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); ~^ ~~ %ld memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); ~^ ~~ %ld Compiling mgs5.c... Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... ortho.c: In function 'ortho': ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ ortho.c:162:54: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ ortho.c:162:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ Compiling pdspev_c.c... pdspev_c.c: In function 'pdspev': pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); ~^ ~~ %ld pdspev_c.c:287:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); ~^ ~~~~~~ %ld pdspev_c.c:315:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pdspev_c.c:315:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspev_c.c:341:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~ pdspev_c.c:341:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspev_c.c:357:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); ~^ ~~ %ld pdspev_c.c:382:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); ~^ ~~ %ld pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, ^~~~~ Compiling pdspevx.c... pdspevx.c: In function 'pdspevx': pdspevx.c:353:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] sprintf( filename, "pdspevx.%d", me); ~^ ~~ %ld pdspevx.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspevx.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspevx.c:455:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pdspevx.c:455:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspevx.c:482:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~ pdspevx.c:482:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspevx.c:498:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); ~^ ~~ %ld pdspevx.c:523:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); ~^ ~~ %ld pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdspevx.c:937:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld pdspevx.c:1068:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdspevx.c:1068:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] Integer iscale; ^~~~~~ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; ^~~~ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; ^~~~ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; ^~~~ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; ^~~ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] DoublePrecision fnormA; ^~~~~~ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, ^~~~~~~ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, ^~~~~~ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] isize, nZ2, ^~~ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] nproc, itmp, ^~~~~ Compiling pdspgv_c.c... pdspgv_c.c: In function 'pdspgv': pdspgv_c.c:320:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspgv_c.c:320:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspgv_c.c:353:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pdspgv_c.c:353:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspgv_c.c:387:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~ pdspgv_c.c:387:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspgv_c.c:407:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); ~^ ~~ %ld pdspgv_c.c:433:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); ~^ ~~ %ld pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] Integer i, j, k, isize, msize, me, nproc; ^~~~~ Compiling pdspgvx.c... pdspgvx.c: In function 'pdspgvx': pdspgvx.c:423:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspgvx.c:423:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspgvx.c:467:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pdspgvx.c:467:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspgvx.c:513:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~ pdspgvx.c:513:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspgvx.c:533:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); ~^ ~~ %ld pdspgvx.c:558:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); ~^ ~~ %ld pdspgvx.c:711:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdspgvx.c:711:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld pdspgvx.c:741:38: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdspgvx.c:741:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld pdspgvx.c:829:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdspgvx.c:829:61: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld Compiling pdsptri.c... pdsptri.c: In function 'pdsptri': pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld pdsptri.c:573:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdsptri.c:573:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld Compiling peigs_cmod.f... Compiling pipe_fut.c... pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] Integer *junk, *ptr, k, isize; ^~~~~ Compiling pmmLSL.c... pmmLSL.c: In function 'pmmLSL': pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; ^~~~~~ Compiling pmmLUL.c... pmmLUL.c: In function 'pmmLUL': pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; ^~~~~~ Compiling pmmlsl2.c... pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; ^~~~~~~ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] Integer me, isize, indx, nvecsA, nvecsB; ^~~~~~ Compiling pxerbla.c... pxerbla.c: In function 'pxerbla2_': pxerbla.c:128:37: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "PXERBLA: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); ~^ ~~ %ld Compiling qsort.c... Compiling resid.c... Compiling residual.c... Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] DoublePrecision safeulp; ^~~~~~~ Compiling sonenorm.c... Compiling soort.c... Compiling sort.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] Integer i, j, *k; ^ Compiling sorteig.c... sorteig.c: In function 'sorteig': sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, ^~~~~~ Compiling tred22.c... tred22.c: In function 'tred2': tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); ~^ ~~ %ld tred22.c:354:43: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] sprintf(msg, "TRED22:Error in argument %d \n", linfo); ~^ ~~~~~ %ld Compiling treesort3.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] Integer *junk, k, num_indx; ^~~~ Compiling tresid.c... tresid.c: In function 'tresid': tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] DoublePrecision t, derror, normA, ulp, dumb; ^~~~ Compiling util.c... Compiling xerbla.c... xerbla.c: In function 'xerbla': xerbla.c:45:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stdout, " processor %d \n", mxmynd_()); ~^ ~~~~~~~~~ %ld xerbla.c:46:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stdout, " ** On entry to %s parameter number %d had an illegal value or pointer \n", ~^ %ld string, *info ); ~~~~~ Compiling mapchk.c... mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] for (indx = 0; indx < *n; indx++ ) ^~~ mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' iptr++; ^~~~ Compiling pdiff.c... pdiff.c: In function 'pdiff': pdiff.c:104:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " Error in pdiff. me = %d not in proclist. \n", me ); ~^ ~~ %ld pdiff.c:131:58: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s %s is different on processors %d and %d \n", ~^ %ld msg1, msg2, me, last_proc ); ~~ pdiff.c:131:65: warning: format '%d' expects argument of type 'int', but argument 6 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s %s is different on processors %d and %d \n", ~^ %ld msg1, msg2, me, last_proc ); ~~~~~~~~~ Compiling pgexit.c... pgexit.c: In function 'pgexit': pgexit.c:85:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); ~^ ~~~~~~~~~ %ld Compiling reducemap.c... Compiling pstebz10.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] DoublePrecision eps, tmp; ^~~ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] DoublePrecision ulp, safemn, onenrm; ^~~~~~ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] DoublePrecision ulp, safemn, onenrm; ^~~ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] Integer j, i, i1split, jsplit, blksz; ^ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] nproc, msize, maxinfo, *i_work, *proclist; ^~~~~ pstebz10.c:512:21: warning: 'nlow' may be used uninitialized in this function [-Wmaybe-uninitialized] numeig = nhigh - nlow + 1; ~~~~~~^~~~~~ pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling pstebz11.c... pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; ^~~~~ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; ^~~~ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] nproc, msize, maxinfo, *i_work, *proclist; ^~~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] iii, m, nlow, me, ncol, k, nn_procs, ^ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] nhigh, numeig, irem, isize, ival, linfo, ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] Integer indx, il, iu, ifakeme, itype, ^~~~ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] char msg[35], *cptr; ^~~~ pstebz11.c:657:33: warning: 'nlow' may be used uninitialized in this function [-Wmaybe-uninitialized] il = irem + ifakeme * ncol + nlow; ~~~~~~~~~~~~~~~~~~~~~~^~~~~~ pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized in this function [-Wmaybe-uninitialized] numeig = nhigh - nlow + 1; ~~~~~~^~~~~~ Compiling inv_it4.c... inv_it4.c: In function 'inv_it4': inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] DoublePrecision xj, sep; ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] Integer indrv1, indrv2, indrv3, indrv4, indrv5; ^~~~~~ Compiling inv_it5.c... inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] DoublePrecision xj, sep; ^~~ Compiling inv_it3.c... Compiling peigs_tldlfact.c... Compiling clustrf5.c... clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] DoublePrecision ortol, xj, sepfine; ^~~~~ clustrf5.c:456:6: warning: 'xjm' may be used uninitialized in this function [-Wmaybe-uninitialized] xj = xjm + pertol; ~~~^~~~~~~~~~~~~~ Compiling r_ritz.c... r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] DoublePrecision *dptr, *dscrat; ^~~~~~ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] DoublePrecision *dptr, *dscrat; ^~~~ Compiling gdot.F... ar rU /build/nwchem-6.8.1/lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libpeigs.a (cd ./src/f77; make) Compiling inverm.F... inverm.F:497:0: IC = ICD Warning: 'icd' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling damax.f... Compiling dlaebz2.F... Compiling dstebz3.F... dstebz3.F:461:0: IF( IRANGE.EQ.1 .OR. ( WL.LT.D( IBEGIN )-PIVMIN .AND. WU.GE. Warning: 'wu' may be used uninitialized in this function [-Wmaybe-uninitialized] dstebz3.F:461:0: Warning: 'wl' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling heapsort.f... Compiling neblw2.F... Compiling dspevx2.F... Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... Compiling xstop.f... (cd ./comm; make) Compiling mxbrod.F... mxbrod.F:141:0: dstsrc = mylpos - srcpos Warning: 'srcpos' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling mxcombv1.F... mxcombv1.F:135:0: integer prtnr, prtlpos Warning: 'prtlpos' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling mxsubs.F... mxsubs.F:571:0: ireslt = mxwrit (data,isize,ito,itype) Warning: 'ireslt' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling sum.F... Compiling maxx.F... Compiling peigs_dgop.F... (cd ./ctof; make) Compiling bortho_f.c... bortho_f.c: In function 'bortho_': bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ bortho_f.c:120:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ bortho_f.c:120:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... ortho_f.c: In function 'ortho_': ortho_f.c:115:46: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ ortho_f.c:115:56: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ ortho_f.c:115:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ Compiling pdspev_f.c... pdspev_f.c: In function 'pdspev_': pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspev_f.c:147:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspev_f.c:159:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); ~^ ~~ %ld Compiling pdspevx_f.c... pdspevx_f.c: In function 'pdspevx_': pdspevx_f.c:170:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspevx_f.c:170:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspevx_f.c:182:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); ~^ ~~ %ld Compiling pdspgv_f.c... pdspgv_f.c: In function 'pdspgv_': pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspgv_f.c:159:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspgv_f.c:172:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); ~^ ~~ %ld Compiling pdspgvx_f.c... pdspgvx_f.c: In function 'pdspgvx_': pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); ~^ ~~ %ld Compiling resid_f.c... Compiling residual_f.c... Compiling sonenorm_f.c... Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... rm -f libpeigs.a ar rU /build/nwchem-6.8.1/lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /build/nwchem-6.8.1/lib/LINUX64/libpeigs.a /build/nwchem-6.8.1/lib/LINUX64/libpeigs.a touch peigs_stamp.LINUX64 Making libraries in perfm Compiling perfm_start.F... Compiling perfm_end.F... Compiling perfm_flop.F... Compiling dist.c... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libperfm.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libperfm.a echo /build/nwchem-6.8.1/lib/LINUX64/libperfm.a /build/nwchem-6.8.1/lib/LINUX64/libperfm.a Making libraries in bq Compiling bq_input.F... Compiling bq_data.F... Compiling bq_rtdb.F... Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libbq.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libbq.a echo /build/nwchem-6.8.1/lib/LINUX64/libbq.a /build/nwchem-6.8.1/lib/LINUX64/libbq.a Making libraries in cons Compiling cons_input.F... Compiling cons.F... Compiling cons_utils.F... Compiling cons_springs.F... Compiling cons_rtdb.F... Compiling cons_data.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libcons.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libcons.a echo /build/nwchem-6.8.1/lib/LINUX64/libcons.a /build/nwchem-6.8.1/lib/LINUX64/libcons.a Making libraries in NWints Compiling intgrl_input.F... Making all in api Compiling cando_sp.F... cando_sp.F:294:0: #define USE_TEXAS Warning: "USE_TEXAS" redefined :14:0: note: this is the location of the previous definition Compiling exact_mem.F... Compiling exactd_mem.F... Compiling int_1cg.F... Compiling int_1e3ov.F... Compiling int_1estv.F... Compiling int_2e2c.F... int_2e2c.F:58:0: #define USE_TEXAS Warning: "USE_TEXAS" redefined :14:0: note: this is the location of the previous definition Compiling int_2e3c.F... Compiling int_acc.F... Compiling int_canon.F... Compiling int_chk_init.F... Compiling int_chk_sh.F... Compiling int_func_c.F... Compiling int_init.F... Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... Compiling int_l1eov.F... Compiling int_l1epe.F... Compiling int_l2e2c.F... Compiling int_l2e3c.F... Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... Compiling int_mpole.F... Compiling int_nint.F... Compiling int_pgen1e.F... Compiling int_projpole.F... Compiling int_term.F... Compiling intd_1eh1.F... Compiling intd_1eov.F... Compiling intd_1eke.F... Compiling int_1er.F... Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... Compiling intd_init.F... Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... Compiling intbdd_init4c.F... Compiling intbdd_2e4c.F... Compiling intd_mpolel.F... Compiling intdd_1eh1.F... Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... Compiling intp_1eke.F... Compiling intp_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... Compiling intp_mpole.F... Compiling intp_1e1cpe.F... Compiling intp_2e3ct.F... Compiling intp_mpolel.F... Compiling intp_txyz.F... Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... Compiling intpd_1eov.F... Compiling intpd_1epe.F... Compiling intpd_2e2c.F... Compiling intpd_2e3c.F... Compiling intpd_2e3ct.F... Compiling intpd_mpolel.F... Compiling intso_1e.F... Compiling intd_1eso.F... Compiling int_1epvpe.F... Compiling int_1epxvpe.F... Compiling int_vstat1e.F... Compiling intdd_1eecp1.F... Compiling int_1eelec.F... Compiling int_giaoh01.F... Compiling int_giaoh11.F... Compiling int_giaol10.F... Compiling int_giaos10.F... Compiling int_giaotv10.F... Compiling int_giaobq10.F... Compiling int_giao_2e.F... Compiling int_pso.F... Compiling int_dso.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... intd_1epot_cosmo.F:140:48: & scrsize,scr(offset),nint,H1a,efc_c,efc_q,nefc) 1 Warning: Rank mismatch in argument 'efc_q' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling int_veloc.F... Compiling int_angmom.F... Compiling int_giaos100.F... Compiling int_hf1sp.F... int_hf1sp.F:597:56: c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ Warning: backslash and newline separated by space Compiling int_l2e4c.F... Compiling intb_init4c.F... Compiling intb_2e4c.F... Compiling int_2e4c.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libnwints.a echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in int Compiling hf3PEabc.F... Compiling hf3mkr.f... Compiling hf3pot.F... Compiling defNxyz.F... Compiling getNxyz.F... Compiling matchNxyz.F... Compiling hf1.F... Compiling hf1mke3.f... Compiling hf1mkr.f... Compiling hf1set3.F... Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... Compiling hfnai_er.F... Compiling case_impl.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in auxil Compiling do_chk_sum.F... Compiling intb_chk_sum.F... Compiling xlmcoeff.F... Compiling xlm_norm.F... Compiling int_spcart2.F... Compiling int_norm.F... Compiling nmcoef.F... Compiling int_norm_2c.F... Compiling int_chk_sum.F... Compiling int_spcart.F... Compiling nmcoef2c.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in ints_sp Compiling sp1111.F... Compiling genr70.F... Compiling init70.F... Compiling qout70.F... Compiling sinfo.F... Compiling sp0000.F... Compiling sp0001.F... Compiling sp0011.F... Compiling sp0101.F... Compiling sp0111.F... Compiling tabgen.f... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in deriv Compiling hf1d.F... Compiling hf2d.F... Compiling hfd2oi.f... Compiling hfderi.F... hfderi.F:246:0: if( kl.gt.ij ) go to 480 Warning: 'ij' may be used uninitialized in this function [-Wmaybe-uninitialized] hfderi.F:120:0: ij = (ma*(ma-1))/2 + mb note: 'ij' was declared here Compiling hfdkei.F... Compiling hfdnai.f... Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... Compiling hf2d_3a2b.F... Compiling hf2d_all.F... Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... Compiling hf1d_cosmo.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in texas Compiling abcd.F... Compiling texas_face.F... texas_face.F:1064:72: * iprint,ncs,inx(inxx),ntxs_scr_size) 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_face.F:1556:19: common /ganz/ ll9(9) ,na,nn4(4) 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1159:19: common /ganz/ lcore,iov,last,nganz(67) 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523:25: common /ctxs_index/ maxsh,ifp,inx(mxsh) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) texas_face.F:1761:25: common /ctxs_index/ maxsh,ifp,inx(1) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1921:25: common /ctxs_index/ maxsh,ifp,inx(1) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) Compiling texas_hf.F... texas_hf.F:936:72: call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:937:72: call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:938:72: call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:939:72: call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:941:72: * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:436:72: * icspnl,jcspnl,kcspnl,lcspnl) 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:470:72: * bl(iqorder),bl(isblpoin) ) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:485:72: * bl(iqorder),ngcont) 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:493:72: call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:504:72: * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:512:72: * bl(isbl_split),isplit ) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:521:72: call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling big_service.F... big_service.F:773:0: s=zero Warning: 'zero' is used uninitialized in this function [-Wuninitialized] Compiling getmem.F... Compiling amshift.F... amshift.F:82:72: call make_indxx(bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:141:72: * bl(indxx),lni*lnj,lnk*lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:168:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:180:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:195:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:219:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:251:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:299:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:341:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling assemblx.F... assemblx.F:55:72: * bl(ibuf2),bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:64:72: * bl(iaax),bl(ibbx),bl(iccx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:69:72: * bl(iaax),bl(ibbx),bl(iccx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:76:72: * bl(iaax),bl(ibbx),bl(iccx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:81:72: * bl(iaax),bl(ibbx),bl(iccx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:91:72: * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:96:72: * bl(iaax),bl(ibbx),bl(iccx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:680:72: * bl(idx1),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:698:72: * bl(idx1),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:715:72: * bl(idx2),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:733:72: * bl(idx2),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:748:72: * bl(idx1),bl(indx),ij3b,kl3b) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:761:72: * bl(idx2),bl(indx), ij3b,kl3b) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:773:72: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:785:72: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:797:72: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:809:72: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:824:72: * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:835:72: * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:846:72: * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:857:72: * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:868:72: * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1438:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1456:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1473:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1491:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1506:72: * bl(indx),ij3b,kl3b) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1519:72: * bl(indx), ij3b,kl3b) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1531:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1543:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1555:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1567:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1582:72: * lck,lcij,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1593:72: * lcl,lcij,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1604:72: * lci,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1615:72: * lcj,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1626:72: * lcij,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling spec_block.F... spec_block.F:84:72: * bl(nblock1),nbl1,nbl2,nbl4) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:94:72: call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:114:72: call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:122:72: * bl(mxsize),bl(mxpair)) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:41:72: call block_info(inx,bl(nblock1),bl(npard),nbl2) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:1632:72: * bl(nklbd),bl(nkled)) 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:2305:0: functf=dble(nfunct)/dble(nfijkl) Warning: 'nfunct' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_block.F:2282:0: nfunct= limitfp(mmax) note: 'nfunct' was declared here spec_block.F:2301:0: xqrt_limit=cachef*dble(nqrt_limit) Warning: 'nqrt_limit' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_block.F:326:0: * itype1,jtype1,ktype1,ltype1, nqrt_limit) note: 'nqrt_limit' was declared here spec_block.F:2305:0: functf=dble(nfunct)/dble(nfijkl) Warning: 'nfunct' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling cshneg.f... Compiling d_datlog.F... Compiling spec_calcint.F... spec_calcint.F:102:72: call doblock2(ibl,bl(ijblock),idoit) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:106:72: call doblock2(kbl,bl(klblock),jdoit) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:111:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:114:72: * isbdo,bl(isbl_split) ) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:126:72: call get_nparts(isupb,bl(isbl_part),nparts) 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:134:72: * bl(isbl_copy) ) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:136:72: * bl(isbl_copy),maxsize) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:2234:72: * bl(map_ij),bl(map_kl) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:158:72: * bl(ijpres2),bl(klpres2) ) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:379:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:386:72: * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:406:72: * bl(isymm),nblspec) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:551:72: * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1237:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1241:72: * bl(map_n0), nbls_n0) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1793:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1815:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1819:72: * bl(map_n0), nbls_n0) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:893:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:897:72: * bl(map_n0), nbls_n0) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1404:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1455:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1459:72: * bl(map_n0), nbls_n0) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:255:72: * lab1,lab2,lab3,lab4,fockmat,ncfunct) 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:180:72: * ibl,bl(ijblock),igo_back ) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:41:72: * lab1,lab2,lab3,lab4,fockmat,ncfunct) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling spec_destiny.F... spec_destiny.F:344:0: lcfx(integ_n0)=iix(4) Warning: 'MEM[(integer(kind=8)[4] *)&iix][3]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:343:0: kcfx(integ_n0)=iix(3) Warning: 'MEM[(integer(kind=8)[4] *)&iix][2]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:342:0: jcfx(integ_n0)=iix(2) Warning: 'MEM[(integer(kind=8)[4] *)&iix][1]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:341:0: icfx(integ_n0)=iix(1) Warning: 'MEM[(integer(kind=8)[4] *)&iix][0]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1118:0: lcfx(integ_n0)=iix(4) Warning: 'MEM[(integer(kind=8)[4] *)&iix][3]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1117:0: kcfx(integ_n0)=iix(3) Warning: 'MEM[(integer(kind=8)[4] *)&iix][2]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1116:0: jcfx(integ_n0)=iix(2) Warning: 'MEM[(integer(kind=8)[4] *)&iix][1]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1115:0: icfx(integ_n0)=iix(1) Warning: 'MEM[(integer(kind=8)[4] *)&iix][0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling memoha.F... Compiling precalc2.F... precalc2.F:34:72: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:42:72: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:75:72: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:83:72: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:312:72: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:317:72: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:336:72: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:341:72: * nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:351:72: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:357:72: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:1346:72: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:1370:72: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:1390:72: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:1628:0: factab=factab*contrij Warning: 'factab' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:1623:0: fctpp= abs( est_ip*est_jp ) Warning: 'est_jp' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:1621:0: fctsp= abs( est_is*est_jp ) Warning: 'est_is' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:1623:0: fctpp= abs( est_ip*est_jp ) Warning: 'est_ip' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:584:0: factab=factab*contrij Warning: 'factab' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:579:0: fctpp= abs( est_ip*est_jp ) Warning: 'est_jp' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:579:0: Warning: 'est_ip' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling prepint.F... Compiling lab_reorder.F... Compiling rt123.F... Compiling shells.F... Compiling time.f... Compiling zeroint.F... zeroint.F:41:72: call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:45:72: call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:57:72: * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:70:72: * bl(ibut2 ),lqij,l02,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:86:72: * bl(ibut2 ),lqij,l02,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:101:72: * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:116:72: * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:132:72: * bl(ibut2 ),lij3,l02,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:146:72: * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:160:72: * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:174:72: * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:188:72: * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:202:72: * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:218:72: * bl(ibut2 ),lqmx,l3l,1 ,1) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:230:72: * bl(ibut2 ),lqmx,l3l,1 ,1) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:242:72: * bl(ibut2 ),l3l,lqmx,1 ,1) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:254:72: * bl(ibut2 ),l3l,lqmx,1 ,1) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:269:72: * bl(ibut2 ),lsss,lsss,1 ,1) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling missing.f... Compiling texas_stubs.F... texas_stubs.F:7:0: #define USE_TEXAS Warning: "USE_TEXAS" redefined :14:0: note: this is the location of the previous definition Compiling uniq_pairs.F... uniq_pairs.F:73:72: call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] uniq_pairs.F:74:72: call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] uniq_pairs.F:40:72: * bl(ij_uniqe) , nij_uniqe ) 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] uniq_pairs.F:42:72: * bl(kl_uniqe) , nkl_uniqe ) 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling transfor.F... Compiling gencon.f... gencon.f:352:72: * bl(indx),nbls1, ngcd,bl(igcoet) ) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] gencon.f:366:72: * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] gencon.f:370:72: * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling derivat.F... Compiling convert.f... Compiling test_calc2.f... Compiling screened_op.F... Compiling trobsa.F... trobsa.F:292:72: call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] trobsa.F:329:72: call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] trobsa.F:348:72: * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] trobsa.F:364:72: * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] trobsa.F:372:72: * bl(ip1234),bl(iabcd),bl(ihabcdx) ) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] trobsa.F:382:72: * bl(iwt0),bl(iwt0_u),lnij,lnkl) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in ecp Compiling ecp_sph_tens.f... Compiling int_ecp.F... Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2slower.f... Compiling ecp_c2snorm.F... ecp_c2snorm.F:42:0: wa = wa/sqrt(wb*wc) Warning: 'wa' may be used uninitialized in this function [-Wmaybe-uninitialized] ecp_c2snorm.F:20:0: double precision wa,wb,wc,zero,half note: 'wa' was declared here Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... Compiling ecp_contract.f... Compiling ecp_cstrans.F... Compiling ecp_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... Compiling ecp_int0.F... Compiling ecp_int1.F... Compiling ecp_int2.F... Compiling ecp_integral.F... Compiling ecp_matpi.F... Compiling ecp_matpr.F... Compiling ecp_radint0.F... Compiling ecp_radint1.F... Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... Compiling ecp_t1_Q0pow.F... Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... Compiling ecp_t1_Q2int.F... Compiling ecp_t2_ghq.F... Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... Compiling ecp_up_k.f... Compiling ecp_local0.F... Compiling ecp_local1.F... Compiling ecp_local2.F... Compiling ecp_locint1.F... ecp_locint1.F:56:0: & coeff_c(n_c),tol,wa,wb,wc,prefac Warning: 'prefac' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling ecp_skipint.F... Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... Compiling ecp_t1_Q4int.F... Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... Compiling ecp_ind_var.f... Compiling ecp_gradient.F... Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... Compiling ecp_hessian.F... Compiling ecp_int2_k.F... Compiling ecp_local2_k.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in hondo Compiling hnd_vstat.F... Compiling hnd_whermt.F... Compiling hnd_rt123.F... Compiling hnd_root4.F... Compiling hnd_root5.F... Compiling hnd_droot.F... Compiling hnd_1emem.F... Compiling hnd_init.F... Compiling hnd_set_acc.F... Compiling hnd_stvint.F... Compiling hnd_sxyz.F... hnd_sxyz.F:18:0: double precision ptx, pty, ptz, ax, ay, az, bx, by, bz Warning: 'bz' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_sxyz.F:18:0: Warning: 'by' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_sxyz.F:18:0: Warning: 'bx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling hnd_txyz.F... Compiling hnd_initd.F... Compiling hnd_d1emem.F... Compiling hnd_stvintd.F... Compiling hnd_dderij.F... Compiling hnd_sd_ij.F... Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... Compiling hnd_dervxyz.F... Compiling hnd_initdd.F... Compiling hnd_dd1emem.F... Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... Compiling hnd_terminate.F... Compiling hnd_denxyz.F... Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... Compiling hnd_giaos10.F... Compiling hnd_giaotv10.F... Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... hnd_giagnm.F:56:13: hnd_giagnm.F:54:72: do 70 m=2,max 2 hnd_giagnm.F:56:13: 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: hnd_giagnm.F:62:72: do 80 n=2,nmax-1 2 hnd_giagnm.F:64:13: b10(ig,n)=b10(ig,n-1)+b10(ig,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: hnd_giagnm.F:79:72: do 100 n=2,nmax-1 2 hnd_giagnm.F:81:29: gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: hnd_giagnm.F:79:72: do 100 n=2,nmax-1 2 hnd_giagnm.F:82:29: gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: hnd_giagnm.F:79:72: do 100 n=2,nmax-1 2 hnd_giagnm.F:83:29: gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: hnd_giagnm.F:93:72: do 130 m=2,mmax-1 2 hnd_giagnm.F:95:13: b01(ig,m)=b01(ig,m-1)+b01(ig,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: hnd_giagnm.F:110:72: do 150 m=2,mmax-1 2 hnd_giagnm.F:112:29: gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: hnd_giagnm.F:110:72: do 150 m=2,mmax-1 2 hnd_giagnm.F:113:29: gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: hnd_giagnm.F:110:72: do 150 m=2,mmax-1 2 hnd_giagnm.F:114:29: gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: hnd_giagnm.F:124:72: do 180 m=2,mmax-1 2 hnd_giagnm.F:129:31: 2 b00(ig,m )*gnm(ig,1,n ,m ) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: hnd_giagnm.F:124:72: do 180 m=2,mmax-1 2 hnd_giagnm.F:132:31: 2 b00(ig,m )*gnm(ig,2,n ,m ) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: hnd_giagnm.F:124:72: do 180 m=2,mmax-1 2 hnd_giagnm.F:135:31: 2 b00(ig,m )*gnm(ig,3,n ,m ) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_giaspd.F... Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... Compiling hnd_spdgia.F... Compiling hnd_pso.F... Compiling hnd_dso.F... Compiling hnd_wleg.F... Compiling hnd_herxyz.F... Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... Compiling hnd_init_1emtpl.F... Compiling hnd_init_pso.F... Compiling hnd_veloc.F... Compiling hnd_angmom.F... Compiling hnd_dipxyz.F... Compiling hnd_init_dip.F... Compiling hnd_giaos100.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in rel Compiling int_rel_init.F... Compiling rel_input.F... Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... Compiling calc_modelpotential.F... Compiling rel_onel.F... rel_onel.F:9:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_onel.F:14:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space Compiling rel_mpole.F... Compiling rel_pvp.F... Compiling rel_pot.F... Compiling rel_pot2.F... Compiling rel_2e4c_sf.F... Compiling rel_LLSS.F... Compiling rel_SSLL.F... Compiling rel_SSSS.F... Compiling rel_init_con.F... Compiling dmd_input.F... Compiling zora_input.F... Compiling rel_oneld.F... rel_oneld.F:9:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_oneld.F:14:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space Compiling rel_oneld_cosmo.F... rel_oneld_cosmo.F:9:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_oneld_cosmo.F:113:0: logical doV ! compute potential (True/False) Warning: 'dov' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling rel_2e4cd_sf.F... Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in dk Compiling int_1edk_ga.F... Compiling dk_input.F... Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... Compiling bas_create_uncont.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in simint Making all in module Compiling nwcsim_module.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a nwcsim_module.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making all in source Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a nwcsim_facef90.o nwcsim_hf2.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwints.a intgrl_input.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwints.a /build/nwchem-6.8.1/lib/LINUX64/libnwints.a Making libraries in atomscf Compiling orderd.F... Compiling atcond.F... Compiling denat.F... Compiling hamild.F... Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... jacod.F:141:0: f(iebr) = tt*sx - f(iebr)*cx Warning: 'tt' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling pdfded.F... Compiling tracd.F... Compiling cmergd.F... Compiling densid.F... Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... Compiling trafsd.F... Compiling creded.F... Compiling square.F... Compiling tramad.F... Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... Compiling writel.F... Compiling printbasis.F... Compiling atscf_ecp.F... Compiling atscf_atscf.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libguess.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libguess.a echo /build/nwchem-6.8.1/lib/LINUX64/libguess.a /build/nwchem-6.8.1/lib/LINUX64/libguess.a Making libraries in ddscf Compiling comp4_bins.F... Compiling rhf_dens_mo.F... Compiling comp4_insert.F... Compiling scf_sym_adap.F... Compiling rhf_fock_2e.F... Compiling scf_lindep.F... Compiling ga_atom_blk.F... Compiling scf.F... Compiling scf_input.F... Compiling schwarz_init.F... Compiling vectors_inp.F... Compiling int_1e_ga.F... Compiling schwarz_pr.F... Compiling ga_orth_mos.F... Compiling schwarz_tidy.F... Compiling int2e_balance.F... Compiling vectors.F... Compiling scf_sym_scr.F... Compiling ga_cont_blk.F... Compiling mull_pop.F... Compiling matrix_exp.F... Compiling scf_pstat.F... Compiling schwarz_max.F... Compiling movecs_proj.F... Compiling movecs_rotate.F... Compiling ao_fock_2e.F... Compiling movecs_lock.F... Compiling fock_2e.F... Compiling fock_2e_et.F... Compiling fock_2e_a.F... Compiling print_aoints.F... Compiling fock_2e_b.F... Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... Compiling rohf.F... Compiling rohf_nr_sol.F... Compiling rohf_wrap.F... Compiling rohf_canon.F... Compiling rohf_k2cf.F... Compiling rohf_precon.F... Compiling rohf_shift.F... Compiling rohf_step.F... Compiling rohf_rotate.F... Compiling scf_get_info.F... Compiling rohf_hscale.F... Compiling fock_2e_file.F... Compiling rohf_hxx.F... Compiling rohf_fock.F... Compiling rohf_fock2g.F... Compiling scf_movecs.F... Compiling rohf_h1e.F... Compiling rohf_h2e.F... Compiling rohf_hessv2.F... rohf_hessv2.F:57:17: $ pflg, g_movecs, oskel, noskew, 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling rohf_dens.F... Compiling movecs_phase.F... Compiling riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... Compiling riscf_tidy.F... Compiling riscf_trans.F... Compiling do_riscf.F... Compiling riscf_dovecs.F... Compiling rohf_scat.F... Compiling uhf.F... Compiling uhf_hessv.F... Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... Compiling print_integ_list.F... Compiling print_1eints.F... Compiling riscf_square.F... Compiling riscf_io.F... Compiling movecs_pr_anal.F... Compiling rohf_lagr.F... Compiling rohf_diis.F... rohf_diis.F:174:34: call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling rhf_fock.F... Compiling multipole.F... Compiling ga_mat_to_vec.F... Compiling movecs_frag.F... Compiling localize.F... localize.F:123:39: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] localize.F:133:36: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] localize.F:142:36: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] localize.F:192:39: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] localize.F:202:36: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] localize.F:211:36: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling int_dip_ga.F... Compiling fock_xc.F... fock_xc.F:193:28: = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) [-Wargument-mismatch] fock_xc.F:204:44: int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling fock_j_fit.F... fock_j_fit.F:17:45: call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling rohf_jkfac.F... Compiling uhf_jkfac.F... Compiling rohf_hessv3.F... rohf_hessv3.F:69:17: $ pflg, g_movecs, oskel, noskew, 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling fock_2e_cam.F... Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... Compiling rohf_hessv3_ext.F... rohf_hessv3_ext.F:88:11: & g_movecs, 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) [-Wargument-mismatch] rohf_hessv3_ext.F:429:11: & g_movecs, ! in : MO coefficients 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling uhf_hessv2_ext.F... Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... Compiling fock_2e_task.F... Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... fock_2e_lab.F:1609:46: call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) [-Wargument-mismatch] fock_2e_lab.F:2039:50: call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling fock_labscal.F... Compiling fock_2e_c.F... Compiling fock_scale.F... Compiling fock_densc.F... Compiling schwarz_atom.F... Compiling comp4_ext.F... Compiling schwarz_sh.F... Compiling int2e_file.F... Compiling ao_replicated.F... Making all in fast Compiling xlm_poles.F... Compiling cheby.F... Compiling fastj.F... fastj.F:1639:0: dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid Warning: 'potgrid' may be used uninitialized in this function [-Wmaybe-uninitialized] fastj.F:541:0: if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit Warning: 'nx' is used uninitialized in this function [-Wuninitialized] fastj.F:541:0: Warning: 'ny' is used uninitialized in this function [-Wuninitialized] fastj.F:541:0: Warning: 'nz' may be used uninitialized in this function [-Wmaybe-uninitialized] fastj.F:736:0: $ x-a, y-b, z-c, q, lmax) Warning: 'z' may be used uninitialized in this function [-Wmaybe-uninitialized] fastj.F:736:0: Warning: 'y' may be used uninitialized in this function [-Wmaybe-uninitialized] fastj.F:736:0: Warning: 'x' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling anlfit.F... anlfit.F:371:12: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Loop variable at (1) must be integer anlfit.F:371:15: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Start expression in DO loop at (1) must be integer anlfit.F:371:22: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer anlfit.F:371:31: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Step expression in DO loop at (1) must be integer anlfit.F:615:0: D(1)=PTWO Warning: 'ptwo' may be used uninitialized in this function [-Wmaybe-uninitialized] anlfit.F:615:0: D(1)=PTWO Warning: 'ptwo' may be used uninitialized in this function [-Wmaybe-uninitialized] anlfit.F:598:0: DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) note: 'ptwo' was declared here Compiling cart_trans.F... Compiling gauleg.f... Compiling solver.F... solver.F:1030:15: do j = 0,lmax 2 yp(j,i) = yy 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: solver.F:1029:72: do j = 0,lmax 2 solver.F:1031:15: zp(j,i) = zz 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: do j = 0, lmax 2 yf(j) = yf(j) + yp(j,l)*f(l,m) 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: solver.F:1058:72: do k = 0,lmax 2 solver.F:1060:46: q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:99:0: $ write(6,15) etime(tt) - start Warning: 'start' may be used uninitialized in this function [-Wmaybe-uninitialized] solver.F:34:0: real*4 etime, tt(2), start note: 'start' was declared here Compiling vsint.f... Compiling pot_shell.F... pot_shell.F:88:0: double precision qm2, qm1, q0, qp1, qp2, start Warning: 'start' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling fastj_direct.F... Compiling fastj_range.f... Compiling newfmm.F... newfmm.F:580:0: call xlm(lmax, x-xo, y-yo, z-zo, w, lq) Warning: 'zo' may be used uninitialized in this function [-Wmaybe-uninitialized] newfmm.F:580:0: Warning: 'yo' may be used uninitialized in this function [-Wmaybe-uninitialized] newfmm.F:580:0: Warning: 'xo' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling potential.F... Compiling sint.f... sint.f:25:72: CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] sint.f:140:72: CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libddscf.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libddscf.a echo /build/nwchem-6.8.1/lib/LINUX64/libddscf.a /build/nwchem-6.8.1/lib/LINUX64/libddscf.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libddscf.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /build/nwchem-6.8.1/lib/LINUX64/libddscf.a /build/nwchem-6.8.1/lib/LINUX64/libddscf.a Making libraries in gradients Compiling gradients.F... Compiling grad_force.F... Compiling grad1.F... Compiling scf_gradient.F... Compiling grad_dens.F... Compiling grad_inp.F... Compiling ga_reorder.F... Compiling grad2.F... Compiling grad_getdens.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libgradients.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libgradients.a echo /build/nwchem-6.8.1/lib/LINUX64/libgradients.a /build/nwchem-6.8.1/lib/LINUX64/libgradients.a Making libraries in moints Compiling atwtest.F... Compiling direct_mp2.F... Compiling mointdriver.F... Compiling moints_1e.F... Compiling moints_dbg.F... Compiling moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... Compiling moints_stats.F... Compiling moints_full.F... moints_full.F:353:72: $ nsym, sym_lo, sym_hi) 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling sifs0.F... sifs0.F:1471:72: assign 6021 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs0.F:1473:72: assign 6022 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs0.F:1483:21: write(nlist,ifmtv) values(i), (labels(j,i), j=1,nipv) 1 Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1) Compiling sifs1.F... sifs1.F:107:72: assign 6021 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:109:72: assign 6022 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:111:72: assign 6024 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:119:21: write(nlist,ifmtv) values(i), (labels(j,i), j=1,nipv) 1 Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1) Compiling moints_cutil.c... Compiling moints_aodisk.F... moints_aodisk.F:1623:72: call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) [-Wargument-mismatch] moints_aodisk.F:1288:72: $ ssbb(lblo,kblo,j,i) ) 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) [-Wargument-mismatch] moints_aodisk.F:999:72: $ iorec(irrp), iorec(drp), nnz1 ) 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] moints_aodisk.F:1728:22: if (.not.(sprs_verify(llen,klen,itmp(1), 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) [-Wargument-mismatch] moints_aodisk.F:1669:18: if (.not.(ao_ijverify( ilen, jlen, klen, llen, 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) [-Wargument-mismatch] Compiling moints_2x.F... Compiling moints_6x.F... Compiling moints_semi.F... Compiling moints_aux2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libmoints.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libmoints.a echo /build/nwchem-6.8.1/lib/LINUX64/libmoints.a /build/nwchem-6.8.1/lib/LINUX64/libmoints.a Making libraries in nwdft Compiling nwdft.F... Making all in include Making all in input_dft Compiling dft_inpana.F... Compiling dft_rdinput.F... Compiling dft_input.F... Compiling tol_inp.F... Compiling grid_inp.F... Compiling xc_inp.F... Compiling conv_inp.F... Compiling cdft_inp.F... Compiling occup_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in scf_dft /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory Compiling dft_swapab.F... Compiling dft_main0d.F... Compiling dft_scf.F... Compiling print_irrep_occp.F... Compiling dft_fockbld.F... Compiling dft_scfutil.F... Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... Compiling dft_canorg.F... Compiling dft_diagn.F... Compiling dft_dump_info.F... Compiling dft_fant.F... Compiling dft_printinfo.F... Compiling dft_fock_efield.F... Compiling dft_frac_mo.F... Compiling dft_nwmolden.F... Compiling dft_spinflip.F... /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory Compiling dft_dencvg.F... Compiling dft_densm.F... Compiling dft_invdiag.F... Compiling dft_mxovl.F... Compiling dft_mxspin_ovlp.F... Compiling dft_s2_value.F... Compiling dft_scfcvg.F... Compiling diis_bld12.F... Compiling diis_bsolve.F... Compiling diis_core.F... Compiling diis_driver.F... Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... Compiling cdft_util.F... /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in scf_dft_cg Compiling dft_cscf.F... Compiling dft_cg_answer.F... Compiling dft_cg_info.F... Compiling dft_cg_guess.F... Compiling dft_cg_solve.F... Compiling dft_get_conv_info.F... Compiling dft_roks_energy.F... Compiling dft_roks_fock.F... Compiling dft_roks_hessv_2e.F... Compiling dft_roks_hessv.F... Compiling dft_roks_hessv_xx.F... Compiling dft_roks_nr_solve.F... Compiling dft_roks_search_precond.F... Compiling dft_roks_step_energy.F... Compiling dft_uks_energy.F... Compiling dft_uks_hessv_2e.F... Compiling dft_uks_hessv.F... Compiling dft_uks_nr_solve.F... Compiling dft_uks_search_precond.F... Compiling dft_uks_step_energy.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in so_dft Compiling dft_scf_so.F... Compiling dft_densmso.F... Compiling dft_mxovlso.F... Compiling grad_force_so.F... Compiling dft_gradients_so.F... Compiling vectors_so.F... Compiling grad_dens_so.F... Compiling grad1_so.F... Compiling diis_driver_so.F... Compiling diis_bsolve_so.F... Compiling diis_bld12_so.F... Compiling diis_core_so.F... Compiling diis_hamwgt_so.F... Compiling diis_refvec_so.F... Compiling movecs_anal_so.F... Compiling getv_coul.F... Compiling getv_exch0.F... Compiling getv_exchX.F... Compiling getv_exchY.F... Compiling getv_exchZ.F... Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... Compiling sym_char_tab_so.F... Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... Compiling ga_orthog_so.F... Compiling sym_op_cname_so.F... Compiling grad_dens_so2.F... Compiling dft_scf_utils_so.F... Compiling dft_frac_mo_so.F... Compiling xc_exso.F... Compiling getv_coul_cd.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in coulomb Compiling dft_3cincor.F... Compiling dft_mem3c.F... Compiling dft_fitcd.F... Compiling dft_fitvc.F... Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... Compiling dft_getvc.F... Compiling dft_n3c.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in xc cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... Compiling xc_sicutil.F... Compiling chk_dens.F... Compiling xc_util.F... Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... xc_vdw_init.F:205:0: subroutine init_c6_params_d3 note: variable tracking size limit exceeded with -fvar-tracking-assignments, retrying without Compiling 2ndDerivB97.c... 2ndDerivB97.c: In function 'dft_xckernel_cb97_': 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] double Gec_a0=0.0,Gec_b0=0.0; ^~~~~~ 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] double Gec_a0=0.0,Gec_b0=0.0; ^~~~~~ 2ndDerivB97.c:688:61: warning: 'Gec_a0_ra' may be used uninitialized in this function [-Wmaybe-uninitialized] FC[ _FXC_RAGAA ] = ScalGGAC*(0.0 + Gec_a0_ra*Ggc_aa_gaa + 0.0 + ec_a0*Ggc_aa_ragaa + 0.0 + Gec_ab_ra*Ggc_ab_gaa + 0.0 + ec_ab*Ggc_ab_ragaa); ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ 2ndDerivB97.c:675:38: warning: 'Gec_b0_rb' may be used uninitialized in this function [-Wmaybe-uninitialized] FC[ _FXC_RB ] = ScalGGAC*(0.0 + Gec_b0_rb*gcbb + ec_b0*Ggc_bb_rb + Gec_ab_rb*gcab + ec_ab*Ggc_ab_rb); ~~~~^~~~~~~~~~~~~~~~ cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory Compiling xc_eval_basis.F... Compiling a_dist.F... Compiling eumac.F... Compiling qdist.F... Compiling scat_mat.F... Compiling setACmat.F... Compiling xc_becke88.F... Compiling xc_dirac.F... Compiling xc_bnl.F... Compiling xc_dirac_screened.F... Compiling xc_fitv.F... Compiling xc_hfexch.F... Compiling xc_lebedev.F... Compiling xc_lyp88.F... Compiling xc_perdew86.F... Compiling xc_perdew91.F... Compiling xc_pw91lda.F... Compiling xc_pw91ldag.F... Compiling xc_rhogen.F... Compiling xc_tabcd.F... Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... Compiling xc_vwn_2.F... Compiling xc_vwn_3.F... Compiling xc_vwn_4.F... Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... xc_eval_fnl.F:1665:29: & 0d0, .false., 0d0, 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling xc_fd.F... xc_fd.F:65:72: & dbl_mb(i_prho), dbl_mb(i_pdelrho)) 1 Warning: Type mismatch in argument 'npert' at (1); passed LOGICAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling xc_pbe96.F... xc_pbe96.F:1423:0: if (nlfac) then Warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:28:0: logical lfac, nlfac, lfacl, nlfacl note: 'nlfac' was declared here xc_pbe96.F:374:0: if (abs(cfac(6)).gt.EPS.or.lfac) then Warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:28:0: logical lfac, nlfac, lfacl, nlfacl note: 'lfac' was declared here xc_pbe96.F:1062:0: if (id_cpbe.eq.1.or.id_cpbe.eq.3) then Warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:24:0: integer ipol, nq, id_cpbe note: 'id_cpbe' was declared here xc_pbe96.F:1454:0: & rhoval*dH0dna)*fac Warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:30:0: double precision fac, facl note: 'fac' was declared here xc_pbe96.F:1423:0: if (nlfac) then Warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:374:0: if (abs(cfac(6)).gt.EPS.or.lfac) then Warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1062:0: if (id_cpbe.eq.1.or.id_cpbe.eq.3) then Warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:30:0: double precision fac, facl Warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1085:0: fAtden3 = fAtden2*fAtden Warning: 'fatden2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1155:0: 8 (fAtden4) Warning: 'dfatnumdt' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1181:0: B (fAtden4) Warning: 'dfatnumda' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1181:0: Warning: 'd2fatnumdtda' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1155:0: 8 (fAtden4) Warning: 'd2fatnumdt2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1452:0: if (nlfac)then Warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:374:0: if (abs(cfac(6)).gt.EPS.or.lfac) then Warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1062:0: if (id_cpbe.eq.1.or.id_cpbe.eq.3) then Warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:30:0: double precision fac, facl Warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_hcth.F... Compiling xc_xpbe96.F... Compiling xc_xpw91.F... Compiling xc_tarad.F... Compiling xc_murakn.F... Compiling xc_signf.F... Compiling xc_gill96.F... Compiling xc_xmpw91.F... Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... Compiling xc_cMpbe96.F... Compiling xc_xtpss03.F... Compiling xc_ctpss03.F... xc_ctpss03.F:499:0: delca = -(1.d0 + ccc)*fabup*delc Warning: 'ccc' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_oep.F... Compiling xc_sic_pert.F... Compiling xc_sic.F... Compiling localize_sic.F... Compiling xc_optx.F... Compiling xc_optc.F... Compiling xc_atomblock.F... Compiling xc_replicated.F... Compiling xc_ft97.F... xc_ft97.F:77:0: Amat(n,2) = Amat(n,2)+dfdrbx*xfac+dfdrbc*cfac Warning: 'dfdrbx' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_ft97.F:38:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdrbx' was declared here xc_ft97.F:79:0: dfdzb=dfdgbbx*xfac+dfdgbbc*cfac Warning: 'dfdgbbx' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_ft97.F:38:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdgbbx' was declared here Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... Compiling xc_kop.F... Compiling xc_bc95.F... Compiling xc_xm05.F... xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at9' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at9' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at8' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at8' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at7' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at7' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at6' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at6' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at5' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at4' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at3' was declared here xc_xm05.F:341:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at2' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at11' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:54:0: double precision at, at10, at11, C1, C2, fL, fNL note: 'at11' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at10' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:54:0: double precision at, at10, at11, C1, C2, fL, fNL note: 'at10' was declared here xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 Warning: 'at1' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_cm05.F... xc_cm05.F:339:0: W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) Warning: 'sss4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:350:0: dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) Warning: 'sss3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:350:0: Warning: 'sss2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:350:0: Warning: 'sss1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:229:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp4' was declared here xc_cm05.F:229:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp3' was declared here xc_cm05.F:229:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp2' was declared here xc_cm05.F:229:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp1' was declared here Compiling xc_xpw6.F... Compiling xc_xvs98.F... Compiling xc_cvs98.F... Compiling xc_xm06.F... xc_xm06.F:380:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at9' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at9' was declared here xc_xm06.F:380:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at8' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at8' was declared here xc_xm06.F:213:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at7' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at7' was declared here xc_xm06.F:213:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at6' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at6' was declared here xc_xm06.F:213:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at5' was declared here xc_xm06.F:380:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at4' was declared here xc_xm06.F:380:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at3' was declared here xc_xm06.F:380:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at2' was declared here xc_xm06.F:213:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at11' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:57:0: double precision at, at10, at11, at0, C1, C2, fL, fNL note: 'at11' was declared here xc_xm06.F:213:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at10' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:57:0: double precision at, at10, at11, at0, C1, C2, fL, fNL note: 'at10' was declared here xc_xm06.F:56:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 Warning: 'at1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:57:0: double precision at, at10, at11, at0, C1, C2, fL, fNL Warning: 'at0' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_cm06.F... xc_cm06.F:394:0: W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) Warning: 'sss4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:405:0: dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) Warning: 'sss3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:405:0: Warning: 'sss2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:405:0: Warning: 'sss1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:394:0: W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) Warning: 'sss0' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:270:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:87:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp4' was declared here xc_cm06.F:270:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:87:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp3' was declared here xc_cm06.F:270:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:87:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp2' was declared here xc_cm06.F:270:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:87:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp1' was declared here xc_cm06.F:261:0: W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) Warning: 'sopp0' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:87:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp0' was declared here Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... Compiling xc_s12x.F... Compiling xc_cams12x.F... Compiling xc_camb88.F... Compiling xc_att_xc.F... Compiling xc_camxpbe96.F... Compiling xc_camxlsd.F... Compiling xc_xwpbe.F... Compiling hse08fx.F... Compiling xc_vdw_main.F... Compiling xc_vdw_util.F... xc_vdw_util.F:993:0: xc_neff=1.17d0+0.33d0*nv Warning: 'nv' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_xsogga.F... xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 Warning: 'cxa0' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 Warning: 'cxb0' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:177:0: fb5 = CxB5 *Fexp**F5 Warning: 'cxb5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 note: 'cxb5' was declared here xc_xsogga.F:176:0: fb4 = CxB4 *Fexp**F4 Warning: 'cxb4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 note: 'cxb4' was declared here xc_xsogga.F:360:0: fb3 = CxB3 *Fexp**F3 Warning: 'cxb3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 note: 'cxb3' was declared here xc_xsogga.F:359:0: fb2 = CxB2 *Fexp**F2 Warning: 'cxb2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 note: 'cxb2' was declared here xc_xsogga.F:57:0: Warning: 'cxb1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:171:0: fa5 = CxA5 *Ffrac**F5 Warning: 'cxa5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 note: 'cxa5' was declared here xc_xsogga.F:170:0: fa4 = CxA4 *Ffrac**F4 Warning: 'cxa4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 note: 'cxa4' was declared here xc_xsogga.F:354:0: fa3 = CxA3 *Ffrac**F3 Warning: 'cxa3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 note: 'cxa3' was declared here xc_xsogga.F:353:0: fa2 = CxA2 *Ffrac**F2 Warning: 'cxa2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 note: 'cxa2' was declared here xc_xsogga.F:56:0: Warning: 'cxa1' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_csogga.F... xc_csogga.F:199:0: fb5 = CcB(5) *Fexp**F5 Warning: 'ccb[5]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'ccb[5]' was declared here xc_csogga.F:198:0: fb4 = CcB(4) *Fexp**F4 Warning: 'ccb[4]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'ccb[4]' was declared here xc_csogga.F:197:0: fb3 = CcB(3) *Fexp**F3 Warning: 'ccb[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'ccb[3]' was declared here xc_csogga.F:196:0: fb2 = CcB(2) *Fexp**F2 Warning: 'ccb[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'ccb[2]' was declared here xc_csogga.F:65:0: Warning: 'ccb[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:193:0: fa5 = CcA(5) *Ffrac**F5 Warning: 'cca[5]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'cca[5]' was declared here xc_csogga.F:192:0: fa4 = CcA(4) *Ffrac**F4 Warning: 'cca[4]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'cca[4]' was declared here xc_csogga.F:191:0: fa3 = CcA(3) *Ffrac**F3 Warning: 'cca[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'cca[3]' was declared here xc_csogga.F:190:0: fa2 = CcA(2) *Ffrac**F2 Warning: 'cca[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'cca[2]' was declared here xc_csogga.F:65:0: Warning: 'cca[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... Compiling xc_xb86b.F... Compiling xc_xdm.F... Compiling ts_eval_fnl.F... Compiling ts_tf.F... Compiling ts_vw.F... Compiling xc_xn12.F... xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc33' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:82:0: CC33 = -2.41834D+00 note: 'cc33' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc32' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:81:0: CC32 = 7.61661D+01 note: 'cc32' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc31' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:80:0: CC31 = -3.44631D+01 note: 'cc31' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc30' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:79:0: CC30 = 4.03611D-01 note: 'cc30' was declared here xc_xn12.F:136:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc23' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:78:0: CC23 = 1.42738D+02 note: 'cc23' was declared here xc_xn12.F:136:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc22' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:77:0: CC22 = -1.66220D+02 note: 'cc22' was declared here xc_xn12.F:136:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc21' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:76:0: CC21 = 5.13392D+01 note: 'cc21' was declared here xc_xn12.F:136:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc20' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:75:0: CC20 = -3.90755D-01 note: 'cc20' was declared here xc_xn12.F:217:0: $ 3.0d0*CC32*FV**2*U**2+3.0d0*CC33*FV**2*U**3 Warning: 'cc13' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:74:0: CC13 = -7.01726D+01 note: 'cc13' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc12' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:73:0: CC12 = 6.50814D+01 note: 'cc12' was declared here xc_xn12.F:217:0: $ 3.0d0*CC32*FV**2*U**2+3.0d0*CC33*FV**2*U**3 Warning: 'cc11' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:72:0: CC11 = -1.71008D+01 note: 'cc11' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc10' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:71:0: CC10 = 8.60211D-02 note: 'cc10' was declared here xc_xn12.F:70:0: CC03 = 1.28887D-01 Warning: 'cc03' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:69:0: CC02 = 1.68233D-01 Warning: 'cc02' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:68:0: CC01 = 5.07880D-01 Warning: 'cc01' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:67:0: CC00 = 1.00000D+00 Warning: 'cc00' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_xscan.F... Compiling xc_cscan.F... Compiling xc_xscanl.F... Compiling xc_cscanl.F... xc_cscanl.F:355:0: Amat(n,2) = Amat(n,2) + vcn + ntot*dfcadt*(Ec0-Ec1)*dtdnb Warning: 'dtdnb' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cscanl.F:112:0: double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn note: 'dtdnb' was declared here xc_cscanl.F:112:0: Warning: 'dtdlb' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cscanl.F:359:0: & dfcadt*(Ec0-Ec1)*dtdgb) Warning: 'dtdgb' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cscanl.F:112:0: double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn note: 'dtdgb' was declared here Compiling ts_pc.F... cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_vdw_main.o xc_vdw_util.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in util Compiling ga_chol.F... Compiling ga_inverse.F... Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... Compiling dft_print_mats.F... Compiling dft_save_mats.F... Compiling dft_gather.F... Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... Compiling dft_tstamp.F... Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... Compiling dft_frozemb_fde.F... dft_frozemb_fde.F:357:41: call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) [-Wargument-mismatch] dft_frozemb_fde.F:180:0: write(luout,*) '' Warning: array subscript 1 is above array bounds of 'character(kind=1)[1:0]' [-Warray-bounds] dft_frozemb_fde.F:397:0: write(luout,*) '' Warning: array subscript 1 is above array bounds of 'character(kind=1)[1:0]' [-Warray-bounds] Compiling int_1e_fde.F... Compiling sca_lab_mat.F... Compiling dft_utilmap.F... dft_utilmap.F:68:0: integer lo(3),hi(3),ld(2),ld12,offs Warning: 'offs' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling dft_genutils.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in grid Compiling grid_sic.F... Compiling grid_checks.F... Compiling grid_balance.F... Compiling grid_rtrunc.F... Compiling grid_atom_type_info.F... Compiling grid_setquad.F... Compiling grid_setrad.F... Compiling grid_setang.F... Compiling grid_invariant.F... Compiling grid_list.F... Compiling grid_setspac_params.F... Compiling grid_acc_def.F... Compiling grid_memory.F... Compiling grid_update_rtdb.F... Compiling grid_tasks.F... Compiling grid_gen_pts.F... Compiling grid_setspac.F... Compiling grid_neighb.F... Compiling grid_cleanup.F... Compiling grid_gaussq.F... Compiling grid_finpts.F... Compiling grid_init.F... Compiling grid_loop.F... Compiling grid_xcfit.F... Compiling dftg_loop.F... Compiling grid_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... Compiling grid_sswold.F... grid_sswold.F:36:0: double precision ass,distnc,distnn,wsum Warning: 'ass' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling grid_beckew.F... Compiling grid_signf.F... Compiling grid_quadvw.F... Compiling grid_quadvw1.F... Compiling grid_bucket.F... Compiling grid_utils.F... Compiling grid_sympts.F... Compiling grid_qpts.F... Compiling grid_quadv0.F... Compiling grid_quadv0a.F... grid_quadv0a.F:240:0: if(oprint_qbecke) then Warning: 'oprint_qbecke' may be used uninitialized in this function [-Wmaybe-uninitialized] grid_quadv0a.F:62:0: logical oprint_qbecke note: 'oprint_qbecke' was declared here Compiling grid_quadv0b.F... grid_quadv0b.F:429:0: & ttau_fde, kske, do_xdm) Warning: 'ilap_fde' may be used uninitialized in this function [-Wmaybe-uninitialized] grid_quadv0b.F:92:0: integer llap_fde, ilap_fde note: 'ilap_fde' was declared here Compiling grid_quadvc.F... Compiling grid_file.F... Compiling grid_eaf.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in dftgrad Compiling dft_grad_top.F... Compiling dftg_getxc.F... Compiling dft_gradients.F... Compiling grad_dft.F... Compiling dftg_getcden.F... Compiling dftg_getxden.F... Compiling dftg_gridpart.F... Compiling dftg_gridv0a.F... Compiling dftg_gridv0.F... dftg_gridv0.F:30:28: . iga_dens, force, 0d0, 0, 1, natoms, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) [-Wargument-mismatch] Compiling dftg_gridv0b.F... Compiling dftg_griddo.F... Compiling dftg_cdfit.F... dftg_cdfit.F:30:43: & iga_dens, force, 0d0, 0, 0d0, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) [-Wargument-mismatch] Compiling dftg_quadv0b.F... Compiling dftg_grad2.F... dftg_grad2.F:35:45: call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) [-Wargument-mismatch] dftg_grad2.F:333:0: & q4*scale, idatom, if1, il1, if2, il2, if3, il3, if4, il4) Warning: 'scale' may be used uninitialized in this function [-Wmaybe-uninitialized] dftg_grad2.F:76:0: double precision tol2e, s34(nat), s12, q2, q4, scale note: 'scale' was declared here Compiling dint_block_j.F... Compiling j_nucder_gen.F... j_nucder_gen.F:21:55: call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) [-Wargument-mismatch] j_nucder_gen.F:38:49: call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling dftg_beckew.F... Compiling dftg_wderiv.F... Compiling dftg_gridssw.F... Compiling dftg_gridsswold.F... dftg_gridsswold.F:240:0: dmu1dmu=dmu1dmu*alpha_erf Warning: 'alpha_erf' may be used uninitialized in this function [-Wmaybe-uninitialized] dftg_gridsswold.F:46:0: double precision xa,ya,za,alpha_erf note: 'alpha_erf' was declared here Compiling dftg_signf.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in lr_tddft Compiling tddft_energy.F... Compiling tddft_input.F... Compiling tddft_init.F... Compiling tddft_memory.F... Compiling tddft_iguess.F... Compiling tddft_dump.F... Compiling tddft_davidson.F... Compiling tddft_transfm.F... Compiling tddft_contract.F... Compiling tddft_epsilon.F... Compiling tddft_subspace.F... Compiling tddft_diagon.F... Compiling tddft_residual.F... Compiling tddft_analysis.F... Compiling tddft_dftinit.F... Compiling tddft_finalize.F... Compiling tddft_schmidt.F... Compiling tddft_fold.F... Compiling tddft_bdtensor.F... Compiling tddft_patch.F... Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... Compiling tddft_restart.F... Compiling tddft_s2.F... Compiling tddft_simpleso.F... Compiling tddft_contract2.F... Compiling tddft_lanczos.F... Compiling tddft_lanczos_tda.F... Compiling tddft_dipole.F... Compiling tddft_prod_v.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_contract2.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in lr_tddft_grad Compiling tddft_gradient.F... Compiling tddft_grad_init.F... Compiling tddft_grad_input.F... Compiling tddft_grad_finalize.F... Compiling tddft_grad_print_info.F... Compiling tddft_grad_ints.F... Compiling tddft_grad_print_header.F... Compiling tddft_grad_e.F... Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... Compiling tddft_grad_compute_r.F... Compiling tddft_grad_trans_mo2ao.F... Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... Compiling tddft_grad_solve.F... Compiling tddft_grad_epsilon.F... Compiling tddft_grad_solve_product.F... Compiling tddft_grad_solve_precond.F... Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... Compiling tddft_grad_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... Compiling tddft_grad_compute_g.F... Compiling tddft_grad_grad_1e.F... Compiling tddft_grad_grad_2e.F... Compiling tddft_grad_make_2pdm.F... Compiling tddft_grad_print_result.F... Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... Compiling tddft_grad_anti_symmetrize.F... Compiling tddft_grad_gxc.F... Compiling tddft_grad_irreg_acc.F... Compiling tddft_grad_fxc_l.F... Compiling tddft_grad_fix_exc.F... Compiling tddft_grad_store_gradient.F... Compiling tddft_grad_util_print.F... Compiling tddft_grad_solve_load_x.F... Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... Compiling tddft_grad_dfxc.F... Compiling tddft_grad_quadv0b.F... Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in zora Compiling dft_zora_utils.F... dft_zora_utils.F:198:0: scale_MO=scf_dbl*focc(ind_occ) Warning: 'scf_dbl' may be used uninitialized in this function [-Wmaybe-uninitialized] dft_zora_utils.F:44:0: double precision eval_scal,ener_scal,scf_dbl note: 'scf_dbl' was declared here Compiling dft_zora_utils_so.F... Compiling dft_zora_rhos.F... Compiling dft_zora_rhos_so.F... dft_zora_rhos_so.F:407:0: #include "zora.fh" ! Added by FA Warning: extra tokens at end of #include directive Compiling gridNuclearPotential.F... gridNuclearPotential.F:14:0: #include "global.fh" ! Added for using ga_nodeid() Warning: extra tokens at end of #include directive gridNuclearPotential.F:75:0: #include "global.fh" ! Added for using ga_nodeid() Warning: extra tokens at end of #include directive Compiling gridHartreePotential.F... Compiling gridQpqPotential.F... Compiling zora_getv_EFGZ4_SR.F... Compiling calc_zora_EFGZ4_SR.F... Compiling zora_getv_EFGZ4_SO.F... Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... Compiling zora_getv_NMRCS_SR.F... Compiling calc_zora_NMRCS_SR.F... Compiling dft_zora_EPR.F... dft_zora_EPR.F:376:0: factor=(-0.25d0)*coeffpol*ppt Warning: 'coeffpol' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling dft_zora_EPR-NMR_tools.F... Compiling zora_getv_EPR.F... Compiling calc_zora_EPR.F... Compiling dft_zora_Hyperfine.F... Compiling zora_getv_HFine.F... zora_getv_HFine.F:81:0: call dfill(3*nbf_ao*nbf_ao,0d0,dbl_mb(izpso(j)),1) Warning: array subscript 3 is above array bounds of 'integer(kind=8)[3]' [-Warray-bounds] Compiling calc_zora_HFine.F... Compiling zora_getv_sf.F... zora_getv_sf.F:294:0: if(ipol.eq.2) g_dens(2)=g_dens0(2) Warning: 'g_dens0[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] zora_getv_sf.F:62:0: integer g_densrep(2),g_dens0(2),dorep_glob note: 'g_dens0[1]' was declared here zora_getv_sf.F:293:0: g_dens(1)=g_dens0(1) Warning: 'g_dens0[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] zora_getv_sf.F:62:0: integer g_densrep(2),g_dens0(2),dorep_glob note: 'g_dens0[0]' was declared here Compiling zora_getv_so.F... zora_getv_so.F:283:0: if(ipol.eq.2) g_dens(2)=g_dens0(2) Warning: 'g_dens0[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] zora_getv_so.F:62:0: integer g_densrep(2),g_dens0(2),dorep_glob note: 'g_dens0[1]' was declared here zora_getv_so.F:282:0: g_dens(1)=g_dens0(1) Warning: 'g_dens0[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] zora_getv_so.F:62:0: integer g_densrep(2),g_dens0(2),dorep_glob note: 'g_dens0[0]' was declared here Compiling calc_EFG.F... Compiling calc_zora_sf.F... Compiling calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in spec cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory Compiling dft_vspec.F... Compiling dft_vspec_so.F... Compiling dft_xps.F... cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in rt_tddft Compiling rt_tddft.F... Making all in matutils Compiling convert_d2z.F... Compiling convert_z2d.F... Compiling pack_buffer2ga.F... Compiling pack_ga2buffer.F... Compiling matutils.F... Compiling dmat_io.F... Compiling zmat_diag.F... Compiling zmat_inv.F... Compiling zmat_checksum.F... Compiling zmat_spectral_range.F... Compiling zmat_max_abs_elem.F... Compiling zmat_compare.F... Compiling elem_compare.F... Compiling calc_array_partitioning.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in rtutils Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... Compiling rt_tddft_output.F... rt_tddft_output.F:427:72: call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:428:72: call rt_tddft_print_val (params, tt, energies%core, "Ecore") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:429:72: call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:430:72: call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:431:72: call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:432:72: call rt_tddft_print_val (params, tt, energies%tot, "Etot") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:434:72: $ energies%tot - energies%gs, "Eadded") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:467:72: call rt_tddft_print_msg (params, tt, "No applied E-field") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:477:72: $ eval, trim(outstr)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:483:72: $ eval, trim(outstr)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:650:72: $ charge_tot, trim(outstr)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_calc.F... Compiling rt_tddft_movecs_gs.F... Compiling rt_tddft_movecs_import.F... rt_tddft_movecs_import.F:330:72: call rt_tddft_movecs_fname (params, rt_movecs_fname) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_movecs_import.F:363:72: $ mo_nsets, mo_ns_mo) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_movecs_import.F:386:72: $ dbl_mb(iocc), dbl_mb(ievals)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_movecs_import.F:577:72: call rt_tddft_movecs_fname (params, rt_movecs_fname) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_movecs_import.F:643:72: $ dbl_mb(iocc), dbl_mb(ievals)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_movecs_import.F:662:72: $ dbl_mb(iocc), dbl_mb(ievals)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_moocc.F... Compiling rt_tddft_atpoint.F... Compiling rt_tddft_snapshot.F... rt_tddft_snapshot.F:205:72: call rt_tddft_snapshot_fname (params, it, tt, fname_tail) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_snapshot.F:276:20: itreference = rt_tddft_find_itreference (params) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_snapshot.F:287:72: $ params%viz_treference, fname_tail) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_snapshot.F:314:13: if (rt_tddft_at_snap (params, tt)) then 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_snapshot.F:328:72: call rt_tddft_snapshot_fname (params, it, tt, fname_tail) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_snapshot.F:332:72: $ fname_tail_cube) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_geom_mask.F... Compiling rt_tddft_estimate_rem.F... Compiling rt_tddft_vec_quad.F... Compiling rt_tddft_excite.F... rt_tddft_excite.F:336:47: val = val * rt_tddft_hann_window (field, tt) 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) [-Wargument-mismatch] rt_tddft_excite.F:338:51: val = val * rt_tddft_gaussian_window (field, tt) 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) [-Wargument-mismatch] rt_tddft_excite.F:81:72: call rt_tddft_update_fields (params, tt) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_checkpoint.F... Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... rt_tddft_project.F:221:72: call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_project.F:223:72: $ g_zaproj, g_zb, g_zaback, lherm) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_project.F:368:72: $ g_za, g_movecs_gs, g_zaproj) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_project.F:370:72: $ g_zaproj, g_movecs_gs, g_zaback) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_zdens_tot_movecs.F... Compiling rt_tddft_restart.F... Compiling rt_tddft_mocap.F... Compiling rt_tddft_calc_dip_contribs.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in input Compiling rt_tddft_input_put_defaults.F... Compiling rt_tddft_input_field.F... rt_tddft_input_field.F:188:72: call rt_tddft_field_rtdb_get (rtdb, i, prev_field) 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) [-Wargument-mismatch] rt_tddft_input_field.F:353:72: call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) [-Wargument-mismatch] Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... rt_tddft_input_excite.F:223:72: call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) [-Wargument-mismatch] Compiling rt_tddft_input_tolerances.F... Compiling rt_tddft_input_visualization.F... Compiling rt_tddft_input_mocap.F... Compiling rt_tddft_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in init Compiling rt_tddft_init_coulcdfit.F... Compiling rt_tddft_init_zora.F... Compiling rt_tddft_init_dip_quad_ints.F... Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... Compiling rt_tddft_init_rtdb.F... Compiling rt_tddft_init_check_params.F... rt_tddft_init_check_params.F:41:72: call rt_tddft_init_check_fields (params) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... Compiling rt_tddft_clean.F... Compiling task_rt_tddft.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in canorg Compiling canorg_check.F... Compiling canorg_init.F... Compiling canorg_clean.F... Compiling canorg_trans.F... canorg_trans.F:108:72: call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] canorg_trans.F:110:72: call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] canorg_trans.F:127:72: call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] canorg_trans.F:129:72: call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in propagators Compiling exp_diag.F... Compiling exp_pseries.F... Compiling prop_euler.F... Compiling prop_magnus_exp_bch.F... Compiling prop_magnus_exp_bch_scaled.F... Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in closedshell Compiling zfock_cs_build.F... Compiling zfock_cs_core.F... Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... Compiling zfock_cs_coul_exchre.F... Compiling zfock_cs_coul.F... Compiling zfock_cs_dftxc.F... Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... Compiling rt_tddft_cs_init.F... Compiling rt_tddft_cs_confirm.F... Compiling rt_tddft_cs_checkpoint.F... Compiling rt_tddft_cs_restart.F... Compiling rt_tddft_cs_prop.F... Compiling rt_tddft_cs_tdfock.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making all in openshell Compiling zfock_os_build.F... Compiling zfock_os_core.F... Compiling zfock_os_core_scalarzora.F... Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... Compiling zfock_os_exch.F... Compiling zfock_os_dftxc.F... Compiling rt_tddft_os_init.F... Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a rt_tddft.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a nwdft.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a Making libraries in rimp2 Compiling rimp2_v_e2.F... Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... Compiling xf3ci_step3.F... Compiling xform_3cints.F... Compiling occ_ranges.F... Compiling rimp2_xf.F... Compiling close_3ci.F... Compiling open_3ci.F... Compiling put_3cints.F... Compiling get_3cints.F... Compiling rimp2.F... Compiling dgecop.F... Compiling lnblnk.f... Compiling max_v_diag.F... Compiling rimp2_parm.F... Compiling rimp2_timers.F... Compiling pr_corr_map.F... Compiling prog_report.F... Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... Compiling rimp2_denom.F... Compiling sum_pairs.F... Compiling xf3ci_s12a.F... Compiling xf3ci_s12b.F... Compiling eval_3ci.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/librimp2.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/librimp2.a echo /build/nwchem-6.8.1/lib/LINUX64/librimp2.a /build/nwchem-6.8.1/lib/LINUX64/librimp2.a Making libraries in stepper Compiling stpr_cheker.F... Compiling stpr_chkhess.F... Compiling stpr_clnstp.F... Compiling stpr_cneed.f... Compiling stpr_cross.f... Compiling stpr_driver.F... Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... Compiling stpr_inihes.F... Compiling stpr_face.F... Compiling stpr_locate.f... Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... Compiling stpr_pmat.f... Compiling stpr_prntpd.f... Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... Compiling stpr_setmass.f... Compiling stpr_stepcor.F... Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... Compiling stpr_walk.F... Compiling stpr_datestp.f... Compiling distang.F... Compiling stpr_gh_at.F... Compiling stpr_gen_aux.F... Compiling stpr_filenames.F... Compiling stepper_inp.F... Compiling stpr_partit.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libstepper.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libstepper.a echo /build/nwchem-6.8.1/lib/LINUX64/libstepper.a /build/nwchem-6.8.1/lib/LINUX64/libstepper.a Making libraries in driver Compiling opt_drv.F... Compiling oniom.F... Compiling lbfgs.F... Compiling lbfgs-b.F... lbfgs-b.F:4401:50: lbfgs-b.F:4399:72: do 30 j = 2, n 2 lbfgs-b.F:4401:50: call yaxpy(n-j+1,temp,t(j,j-1),1,b(j),1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:17: lbfgs-b.F:4399:72: do 30 j = 2, n 2 lbfgs-b.F:4402:17: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:24: lbfgs-b.F:4399:72: do 30 j = 2, n 2 lbfgs-b.F:4402:24: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:31: lbfgs-b.F:4399:72: do 30 j = 2, n 2 lbfgs-b.F:4402:31: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:17: do 120 j = 2, n 2 b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:24: do 120 j = 2, n 2 b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:42: do 120 j = 2, n 2 b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:17: lbfgs-b.F:4439:72: do 120 j = 2, n 2 lbfgs-b.F:4441:17: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:24: lbfgs-b.F:4439:72: do 120 j = 2, n 2 lbfgs-b.F:4441:24: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:31: lbfgs-b.F:4439:72: do 120 j = 2, n 2 lbfgs-b.F:4441:31: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling lbfgs-b_driver.F... Compiling lbfgs_driver.F... Compiling lbfgs_utils.F... Compiling driver_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libdriver.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o driver_input.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libdriver.a echo /build/nwchem-6.8.1/lib/LINUX64/libdriver.a /build/nwchem-6.8.1/lib/LINUX64/libdriver.a Making libraries in optim Making all in deloc Compiling deloc_driver.F... Compiling deloc.F... Compiling deloc_utils.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/liboptim.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/liboptim.a echo /build/nwchem-6.8.1/lib/LINUX64/liboptim.a /build/nwchem-6.8.1/lib/LINUX64/liboptim.a Making all in mepgs Compiling mepgs_drv.F... Compiling mepgs_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/liboptim.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /build/nwchem-6.8.1/lib/LINUX64/liboptim.a /build/nwchem-6.8.1/lib/LINUX64/liboptim.a Making all in tropt Compiling tropt_drv.F... Compiling tropt_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/liboptim.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /build/nwchem-6.8.1/lib/LINUX64/liboptim.a /build/nwchem-6.8.1/lib/LINUX64/liboptim.a Making all in neb Compiling neb_input.F... Compiling neb_drv.F... Compiling neb_utils.F... Compiling bead_list.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/liboptim.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /build/nwchem-6.8.1/lib/LINUX64/liboptim.a /build/nwchem-6.8.1/lib/LINUX64/liboptim.a Making all in string Compiling string.F... Compiling string_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/liboptim.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/liboptim.a string.o string_input.o echo /build/nwchem-6.8.1/lib/LINUX64/liboptim.a /build/nwchem-6.8.1/lib/LINUX64/liboptim.a Making libraries in cphf Compiling cphf.F... Compiling cphf_poliz.F... Compiling cphf_solve.F... Compiling cphf_solve2.F... Compiling cphf_solve3.F... Compiling cphf_solve4.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libcphf.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libcphf.a echo /build/nwchem-6.8.1/lib/LINUX64/libcphf.a /build/nwchem-6.8.1/lib/LINUX64/libcphf.a Making libraries in ccsd cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... Compiling ccsd_sortmo.F... Compiling geaxpy.F... Compiling ccden_2pdma.F... Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... Compiling aoccsd2.F... Compiling ccsd_itm.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... Compiling ccsd_pampt2.F... Compiling ccsd_pampt3.F... Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... Compiling ccsd_idx34.F... Compiling ccsd_tengy.F... Compiling ccsd_trpdrv.F... Compiling ccsd_trpdrv_nb.F... Compiling ccsd_trpdrv_omp.F... Compiling ccsd_trpdrv_omp_mixprec.F... Compiling moints_trp.F... Compiling ccsd.F... Compiling ccsd_aux.F... Compiling ccsd_get_param.F... Compiling ccsd_iterdrv2.F... Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... Compiling ccsd_trpmo.F... Compiling ccsd_rdtrpo.F... Compiling qstat.F... Compiling cputime.F... Compiling rddcom.F... Compiling ccsd_input.F... Compiling ccsd_graddrv.F... Compiling ccsd_zvecs.F... Compiling ccsd_pzamp.F... Compiling ccsd_zsig1.F... Compiling ccsd_zsig2.F... Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... Compiling ccsd_mem.F... Compiling ccsd_pstat.F... Compiling convert_single_double.F... Compiling ccsd_aosig.F... cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory Got lock on /build/nwchem-6.8.1/lib/LINUX64/libccsd.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libccsd.a echo /build/nwchem-6.8.1/lib/LINUX64/libccsd.a /build/nwchem-6.8.1/lib/LINUX64/libccsd.a Making libraries in vib Compiling vib_bcalc.F... Compiling vib_bdiha5.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... Compiling vib_dsquar.F... Compiling vib_dtrngl.F... Compiling vib_eckart.F... Compiling vib_gtors.F... Compiling vib_hmass.F... Compiling vib_libe.F... Compiling vib_nmass.F... Compiling vib_prdata.F... Compiling vib_prntpd.F... Compiling vib_rdinp.F... Compiling vib_setup.F... Compiling vib_tors.F... Compiling vib_transp.F... Compiling vib_vib.F... Compiling vib_wmatrix.F... Compiling vib_wrtfreq.F... Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... Compiling vib_thermo.F... Compiling vib_phonon.F... vib_phonon.F:156:72: > hess,dbl_mb(hessadjust(1))) 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] Compiling vib_zone_input.F... Compiling vib_input.F... Compiling vib_callg.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libvib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libvib.a vib_bcalc.o vib_bdiha5.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libvib.a echo /build/nwchem-6.8.1/lib/LINUX64/libvib.a /build/nwchem-6.8.1/lib/LINUX64/libvib.a Making libraries in mcscf Compiling mcscf.F... Compiling mcscf_b.F... Compiling mcscf_aux.F... Compiling mcscf_ci.F... Compiling mcscf_etr.F... Compiling mcscf_fcore.F... Compiling mcscf_fock.F... Compiling mcscf_hdiag.F... Compiling mcscf_ohv.F... Compiling mcscf_ohv1e.F... Compiling mcscf_ohv2e.F... Compiling mcscf_ohvao.F... Compiling mcscf_ohvmo.F... Compiling mcscf_orb.F... Compiling mcscf_prcnd.F... Compiling mcscf_debug.F... Compiling mcscf_input.F... Making all in detci Compiling detci_aux.F... Compiling detci_intf.F... Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libmcscf.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a echo /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libmcscf.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o echo /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a /build/nwchem-6.8.1/lib/LINUX64/libmcscf.a Making libraries in prepar Compiling prepar.F... Compiling pre_admin.F... pre_admin.F:178:0: return Warning: '__result_pre_admin' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_admin.F:1:0: logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) note: '__result_pre_admin' was declared here Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... Compiling pre_atnam.F... Compiling pre_atnum.F... Compiling pre_atom_index.F... Compiling pre_atrad.F... Compiling pre_atype.F... Compiling pre_base.F... Compiling pre_bnd.F... Compiling pre_bonds.F... Compiling pre_boxsiz.F... Compiling pre_center.F... Compiling pre_charge.F... Compiling pre_check.F... Compiling pre_collaps.F... pre_collaps.F:278:0: xs(k,i)=xs(k,i)+root*tran(k) Warning: 'tran[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_collaps.F:45:0: real*8 tr(3),tran(3),xmax(3),xmin(3) note: 'tran[2]' was declared here pre_collaps.F:278:0: xs(k,i)=xs(k,i)+root*tran(k) Warning: 'tran[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_collaps.F:45:0: real*8 tr(3),tran(3),xmax(3),xmin(3) note: 'tran[1]' was declared here pre_collaps.F:278:0: xs(k,i)=xs(k,i)+root*tran(k) Warning: 'tran[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_collaps.F:45:0: real*8 tr(3),tran(3),xmax(3),xmin(3) note: 'tran[0]' was declared here Compiling pre_crop.F... Compiling pre_dih.F... Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... Compiling pre_disres.F... Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... Compiling pre_ffield.F... pre_ffield.F:157:0: elseif(jcomb.eq.3) then Warning: 'jcomb' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_ffield.F:39:0: integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb note: 'jcomb' was declared here Compiling pre_fix.F... Compiling pre_frgsiz.F... Compiling pre_frgrd.F... Compiling pre_gensgm.F... Compiling pre_his.F... Compiling pre_hnames.F... Compiling pre_hybrid.F... Compiling pre_imp.F... Compiling pre_input.F... Compiling pre_links.F... Compiling pre_master.F... Compiling pre_merge.F... pre_merge.F:88:0: + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_merge.F:14:0: character*1 altloc,chain note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:0: + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_merge.F:14:0: character*1 altloc,chain note: 'chain[1]{lb: 1 sz: 1}' was declared here Compiling pre_misfit.F... Compiling pre_mkfrg.F... Compiling pre_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... Compiling pre_mksgm.F... Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... Compiling pre_namiup.F... Compiling pre_natyps.F... Compiling pre_nonbon.F... Compiling pre_nucleic.F... Compiling pre_orient.F... Compiling pre_params.F... Compiling pre_parcnv.F... Compiling pre_paths.F... Compiling pre_paths2.F... Compiling pre_pdbseq.F... Compiling pre_pdbsiz.F... Compiling pre_protein.F... Compiling pre_rdgeom.F... Compiling pre_rdpdb.F... Compiling pre_rstmod.F... Compiling pre_rdrst.F... Compiling pre_rdseq.F... Compiling pre_rdsgm.F... Compiling pre_removw.F... Compiling pre_rename.F... Compiling pre_repeat.F... Compiling pre_rot.F... Compiling pre_rotate.F... Compiling pre_rstsiz.F... Compiling pre_rtdbin.F... Compiling pre_rtdbsq.F... Compiling pre_select.F... pre_select.F:45:40: call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) [-Wargument-mismatch] Compiling pre_seqsiz.F... Compiling pre_sgmfil.F... Compiling pre_sgmndx.F... Compiling pre_sgmnum.F... Compiling pre_sgmsiz.F... Compiling pre_short.F... Compiling pre_slvnum.F... Compiling pre_slvrd.F... Compiling pre_slvsiz.F... Compiling pre_solvat.F... Compiling pre_task.F... Compiling pre_term.F... Compiling pre_third.F... Compiling pre_toprd.F... Compiling pre_topsiz.F... Compiling pre_torang.F... Compiling pre_transl.F... Compiling pre_wrtnam.F... Compiling pre_wrtnoe.F... Compiling pre_wrtpdb.F... Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... Compiling pre_wrtrst.F... Compiling pre_wrtseq.F... Compiling pre_wrtsgm.F... Compiling pre_wrttop.F... Compiling pre_wrtxyz.F... Compiling pre_impctr.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libprepar.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libprepar.a echo /build/nwchem-6.8.1/lib/LINUX64/libprepar.a /build/nwchem-6.8.1/lib/LINUX64/libprepar.a Making libraries in esp Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... Compiling esp_getden.F... Compiling esp_fit.F... Compiling esp_getg.F... Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... Compiling esp_input.F... Compiling esp_malloc.F... Compiling esp_matinv.F... Compiling esp_out.F... Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... Compiling esp_wrtinp.F... Compiling esp_jacobi.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libesp.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libesp.a echo /build/nwchem-6.8.1/lib/LINUX64/libesp.a /build/nwchem-6.8.1/lib/LINUX64/libesp.a Making libraries in hessian Compiling hess_blas.F... Compiling hess_input.F... Making all in analytic Compiling hess_anal.F... Compiling hess_init.F... Compiling hess_energyinit.F... Compiling hess_check.F... Compiling nucdd_cont.F... Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling onedd_cont.F... Compiling get_wdens.F... Compiling onedd_calc.F... Compiling hess_dipder.F... Compiling twodd_cont.F... Compiling twodd_coul_ex.F... Compiling shell_fock_build.F... Compiling shell_fock_build_cam.F... Compiling hess_cphf.F... Compiling hess_pxfy.F... Compiling hess_sxsy.F... Compiling sx_dra.F... Compiling hess_wrt.F... Compiling hess_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... Compiling hess_utils.F... Making all in dft Compiling xc_d2expl.F... Compiling xc_cpks_coeff.F... Compiling xc_exit_index.F... Compiling xc_init_index.F... Compiling xc_nucder_gen.F... xc_nucder_gen.F:26:43: , g_dens, nactive, oactive, hess, 0, 2) 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) [-Wargument-mismatch] xc_nucder_gen.F:53:38: , g_dens, nactive, oactive, 0d0, g_rhs, 3) 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling dft_3dacc.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libhessian.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libhessian.a echo /build/nwchem-6.8.1/lib/LINUX64/libhessian.a /build/nwchem-6.8.1/lib/LINUX64/libhessian.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libhessian.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o echo /build/nwchem-6.8.1/lib/LINUX64/libhessian.a /build/nwchem-6.8.1/lib/LINUX64/libhessian.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libhessian.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /build/nwchem-6.8.1/lib/LINUX64/libhessian.a /build/nwchem-6.8.1/lib/LINUX64/libhessian.a Making libraries in selci Compiling iprtri.F... Compiling prtri.F... Compiling selci_icopy.f... Compiling selci_output.f... selci_output.f:35:33: 1 8h-------- /,blank/8h / 1 Warning: Legacy Extension: Hollerith constant at (1) selci_output.f:35:33: 1 8h-------- /,blank/8h / 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:34:37: data column/8hcolumn /,asa/8h ,8h00000000 , 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:34:50: data column/8hcolumn /,asa/8h ,8h00000000 , 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:35:13: 1 8h-------- /,blank/8h / 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:34:20: data column/8hcolumn /,asa/8h ,8h00000000 , 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) Compiling selci_yacobi.f... Compiling tred1.f... Compiling tqlrat.f... tqlrat.f:152:0: if (dabs(e2(l)) .le. dabs(c/h)) go to 210 Warning: 'c' may be used uninitialized in this function [-Wmaybe-uninitialized] tqlrat.f:145:0: h = g * p / r Warning: 'b' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling loadw.F... Compiling rdhint.F... Compiling rdhcon.f... Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... Compiling bserch.F... Compiling popcnt32.F... Compiling readh.F... Compiling selci_renorm.f... Compiling selci_sread.f... Compiling selci_swrite.f... Compiling pkcon.F... Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... rd1.F:43:72: call selci_ulab16(buf(lbuf),info,4) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) [-Wargument-mismatch] rd1.F:61:72: call selci_ulab16(buf(lbuf),info,4) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) [-Wargument-mismatch] rd1.F:64:72: call selci_ulab8(buf(nipbuf+1),ibuf,2*num) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) [-Wargument-mismatch] rd1.F:101:72: call selci_ulab16(buffer(lenbuf),info,4) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) [-Wargument-mismatch] rd1.F:105:72: call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) [-Wargument-mismatch] Compiling fcidim.F... Compiling axb.f... Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... Compiling selci_check.f... Compiling davids.F... davids.F:102:72: $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling sigma.F... Compiling conf.F... conf.F:58:72: call selci_start(rtdb, title, q(irefo)) 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] conf.F:467:72: call selci_excit(irefo, q(ioccrf), q(ixstak)) 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] conf.F:62:72: call selci_refgen(q, q(irefo),q(jrefo)) 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] conf.F:67:72: call selci_chkci(q(irefo),q(indxci),wmatrx) 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling ci.F... Compiling initci.F... Compiling rdhead.F... Compiling load.F... Compiling loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... Compiling eijeji.F... Compiling makehd.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... Compiling makehs.F... Compiling eirerj.F... Compiling loadab.F... Compiling couple.c... Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... Compiling eijil.F... Compiling mknsneed.F... Compiling eijkl.F... Compiling putinb.F... Compiling inicij.F... Compiling ointer.F... Compiling oeq.f... Compiling selci_select.F... Compiling selci.F... Compiling ptidy.F... Compiling anal.F... Compiling mkindx.F... Compiling slect.F... Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... Compiling e0mp2.F... Compiling mpdele.F... Compiling stool.F... Compiling restk.F... Compiling restin.F... Compiling orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libselci.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libselci.a iprtri.o prtri.o selci_icopy.o selci_output.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o popcnt32.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libselci.a echo /build/nwchem-6.8.1/lib/LINUX64/libselci.a /build/nwchem-6.8.1/lib/LINUX64/libselci.a Making libraries in dplot Compiling dplot.F... dplot.F:441:0: Call ycopy(3*nAtom,Dbl_mb(k_xyz),1,Dbl_mb(k_Grid+3*Atom_Off),1) Warning: 'atom_off' may be used uninitialized in this function [-Wmaybe-uninitialized] dplot.F:44:0: Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off note: 'atom_off' was declared here Compiling get_grid.F... Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... Compiling get_charges.F... Compiling dplot_defgrid.F... Compiling dplot_dump.F... Compiling dplot_dos.F... dplot_dos.F:153:25: call dplot_dos(nbf,nmo,span,traslx,nstep,sigma, 1 Warning: Rank mismatch in argument 'nmo' at (1) (scalar and rank-1) [-Wargument-mismatch] dplot_dos.F:248:0: emax=efermi+span/au2ev Warning: 'efermi' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling ao_rdm_read.F... ao_rdm_read.F:123:0: return Warning: '__result_ao_rdm_read' may be used uninitialized in this function [-Wmaybe-uninitialized] ao_rdm_read.F:1:0: logical function ao_rdm_read(filename,basis, g_dens) note: '__result_ao_rdm_read' was declared here Compiling get_transden.F... Compiling get_diffden.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libdplot.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libdplot.a echo /build/nwchem-6.8.1/lib/LINUX64/libdplot.a /build/nwchem-6.8.1/lib/LINUX64/libdplot.a Making libraries in mp2_grad Compiling mp2_grad.F... Compiling mp2_energy.F... Compiling mp2_grad_doit.F... Compiling mp2_make_cphf_rhs.F... Compiling mp2_make_tot_dens.F... Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... Compiling mp2_pstat.F... Compiling mp2_input.F... Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... Compiling mp2_back_transform.F... mp2_back_transform.F:88:41: $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) 1 Warning: Rank mismatch in argument 'shdim' at (1) (rank-1 and scalar) [-Wargument-mismatch] mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'ylo_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:808:0: $ ylo_cur, yhi_cur, udim_cur, vdim_cur, xdim_cur, ydim_cur note: 'ylo_cur' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'yhi_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:808:0: $ ylo_cur, yhi_cur, udim_cur, vdim_cur, xdim_cur, ydim_cur note: 'yhi_cur' was declared here mp2_back_transform.F:1066:0: $ density(y,x,v,u)*eri(icart,1) Warning: 'ycent' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:795:0: integer xcent, ycent, ucent, vcent, ijkl, xsh_start, ysh_start note: 'ycent' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'xlo_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:807:0: $ ulo_cur, uhi_cur, vlo_cur, vhi_cur, xlo_cur, xhi_cur, note: 'xlo_cur' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'xhi_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:807:0: $ ulo_cur, uhi_cur, vlo_cur, vhi_cur, xlo_cur, xhi_cur, note: 'xhi_cur' was declared here mp2_back_transform.F:1064:0: $ density(y,x,v,u)*eri(icart,2) Warning: 'xcent' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:795:0: integer xcent, ycent, ucent, vcent, ijkl, xsh_start, ysh_start note: 'xcent' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'vlo_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:807:0: $ ulo_cur, uhi_cur, vlo_cur, vhi_cur, xlo_cur, xhi_cur, note: 'vlo_cur' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'vhi_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:807:0: $ ulo_cur, uhi_cur, vlo_cur, vhi_cur, xlo_cur, xhi_cur, note: 'vhi_cur' was declared here mp2_back_transform.F:1062:0: $ density(y,x,v,u)*eri(icart,3) Warning: 'vcent' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:795:0: integer xcent, ycent, ucent, vcent, ijkl, xsh_start, ysh_start note: 'vcent' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'ulo_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:807:0: $ ulo_cur, uhi_cur, vlo_cur, vhi_cur, xlo_cur, xhi_cur, note: 'ulo_cur' was declared here Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... Compiling mp2_wijab_uhf.F... Compiling mp2_lai_uhf.F... Compiling mp2_lai_fock_uhf.F... Compiling mp2_memory.F... Compiling mp2_make_tuhf.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libmp2.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libmp2.a echo /build/nwchem-6.8.1/lib/LINUX64/libmp2.a /build/nwchem-6.8.1/lib/LINUX64/libmp2.a Making libraries in qhop Compiling qhop_setup.F... qhop_setup.F:357:39-48: read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: write(lfntop,1005)(zpef(i,m),m=1,6) 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:98:0: integer prtin(2),flseq,flhv,nseql,eof,ptat(3) Warning: 'ptat[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... Compiling qhop_init.F... qhop_init.F:185:35-44: read(lfntop,1005) (zpef(ipar,i),i=1,6) 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: write(lfnout,1005)(zpef(ipar,i),i=1,6) 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) Compiling qhop_pindex.F... Compiling qhop_final.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libqhop.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libqhop.a echo /build/nwchem-6.8.1/lib/LINUX64/libqhop.a /build/nwchem-6.8.1/lib/LINUX64/libqhop.a Making libraries in property Compiling hnd_efgmap.F... hnd_efgmap.F:40:0: integer i_qbq Warning: 'i_qbq' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_efgmap.F:39:0: integer i_cbq Warning: 'i_cbq' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling hnd_efgmap_z4.F... hnd_efgmap_z4.F:24:0: #include "msgids.fh" ! Added by FA - for NLMO analysis Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:25:0: #include "zora.fh" ! Added by FA Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:926:0: #include "msgids.fh" ! Added by FA - for tag msg_efgs_col Warning: extra tokens at end of #include directive Compiling hnd_elfmap.F... Compiling hnd_elpmap.F... Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... Compiling hnd_spind.F... Compiling hnd_elfcon.F... Compiling hnd_elfcon_symm.F... hnd_elfcon_symm.F:35:0: #include "zora.fh" ! for lbl_nlmo Warning: extra tokens at end of #include directive Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... hnd_mtpole.F:938:0: do i = 1, ndens Warning: 'ndens' is used uninitialized in this function [-Wuninitialized] Compiling prop_input.F... Compiling prop.F... Compiling prp.F... Compiling hnd_mulken.F... Compiling wnbofile.F... wnbofile.F:61:0: integer atn, charge, maxL, nat, nbf, ncont, ngeno, nmo, Warning: 'maxl' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling wefgfile.F... wefgfile.F:49:0: #include "zora.fh" ! FA-04-24-10 Warning: extra tokens at end of #include directive Compiling whypfile.F... whypfile.F:58:0: #include "zora.fh" ! FA-04-24-10 Warning: extra tokens at end of #include directive whypfile.F:302:0: open (lfn, file=fname_hyp, status='unknown') Warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] whypfile.F:82:0: integer lfn note: 'lfn' was declared here Compiling wgshiftfile.F... wgshiftfile.F:58:0: #include "zora.fh" ! FA-04-24-10 Warning: extra tokens at end of #include directive wgshiftfile.F:316:0: open (lfn, file=fname_gshift, status='unknown') Warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] wgshiftfile.F:85:0: integer lfn note: 'lfn' was declared here Compiling wshldfile.F... wshldfile.F:51:0: #include "zora.fh" ! FA-04-24-10 Warning: extra tokens at end of #include directive wshldfile.F:296:0: open (lfn, file=fname_shield, status='unknown') Warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] wshldfile.F:73:0: integer lfn note: 'lfn' was declared here Compiling hnd_prp_get_dens.F... Compiling hnd_prp_vec_read.F... Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... Compiling giaofock.F... giaofock.F:930:0: g_dens=g_dens0 Warning: 'g_dens0' may be used uninitialized in this function [-Wmaybe-uninitialized] giaofock.F:23:0: integer npol,ntot Warning: 'ntot' may be used uninitialized in this function [-Wmaybe-uninitialized] giaofock.F:151:0: cam_beta1 =factor_cam*cam_beta Warning: 'factor_cam' may be used uninitialized in this function [-Wmaybe-uninitialized] giaofock.F:42:0: double precision factor_cam,cam_alpha1,cam_beta1 note: 'factor_cam' was declared here giaofock.F:366:0: integer npol,ntot Warning: 'ntot' may be used uninitialized in this function [-Wmaybe-uninitialized] giaofock.F:503:0: cam_beta1 =factor_cam*cam_beta Warning: 'factor_cam' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling hnd_giaox.F... Compiling hnd_hyperfine_zora.F... hnd_hyperfine_zora.F:764:0: #include "zora.fh" ! for num NMRCS-Z4 Warning: extra tokens at end of #include directive hnd_hyperfine_zora.F:849:0: #include "zora.fh" ! for hyperfine Warning: extra tokens at end of #include directive hnd_hyperfine_zora.F:577:0: & (eig(ix)*conv2MHz,ix=1,3) Warning: 'conv2mhz' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:0: double precision a(6),axs(3,3),eig(3),conv2MHz note: 'conv2mhz' was declared here Compiling hnd_gshift_zora.F... hnd_gshift_zora.F:5202:0: par_arr(7,iy,ix)=val_ov_noJK*coeffpol*ppt*(-0.25d0) Warning: 'val_ov_nojk' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5201:0: par_arr(6,iy,ix)=val_ov_Exch*coeffpol*ppt*(-0.25d0) Warning: 'val_ov_exch' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5204:0: par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) Warning: 'val_ov_esji' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5200:0: par_arr(5,iy,ix)=val_ov_Coul*coeffpol*ppt*(-0.25d0) Warning: 'val_ov_coul' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5203:0: par_arr(8,iy,ix)=val_ov_1e*coeffpol*ppt*(-0.25d0) Warning: 'val_ov_1e' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:2125:0: & natoms,oskel) Warning: 'k_xyz' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:4939:0: & natoms,oskel) Warning: 'k_xyz' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling hnd_giaox_zora.F... Compiling int_giao_1ega.F... int_giao_1ega.F:148:0: max1e = max1e*nblocks Warning: 'nblocks' may be used uninitialized in this function [-Wmaybe-uninitialized] int_giao_1ega.F:45:0: integer nblocks note: 'nblocks' was declared here Compiling giao_aotomo.F... Compiling hnd_diag.F... Compiling hnd_spinspin.F... Compiling hnd_sdfc.F... Compiling hnd_psoten.F... Compiling hnd_dsoten.F... Compiling prop_atom.F... Compiling aoresponse_driver.F... Compiling aoresponse_driver_new.F... Compiling int_mpole_1ega.F... Compiling aoresponse.F... Compiling aoresponse_beta.F... Compiling aor_write_roadata.F... Compiling aoresponse_beta2.F... Compiling fiao_f1_movecs.F... Compiling aor_r1_tensor.F... aor_r1_tensor.F:127:0: double precision ga_trace_diag,coeffre,coeffim Warning: 'coeffim' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling aor_r1_tensor_giao.F... Compiling aor_r1_beta.F... Compiling aor_r1_beta_anl.F... Compiling giao_b1_movecs.F... Compiling fiao_b1_movecs.F... Compiling get_vecB1.F... Compiling get_vecF1.F... Compiling aor_get_fiaoints.F... Compiling aor_get_giaoints.F... Compiling aoresponse_giao_rhs.F... Compiling get_alfaorbeta_reim.F... get_alfaorbeta_reim.F:411:0: bhi(3) = ind2 Warning: 'ind2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:405:0: ahi(3) = ind1 Warning: 'ind1' may be used uninitialized in this function [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:247:0: bhi(3) = ind2 Warning: 'ind2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:241:0: ahi(3) = ind1 Warning: 'ind1' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling CalcPerturbedTDPmat1.F... Compiling CalcPerturbedTDPmat1_opt.F... Compiling localization_driver.F... Compiling hnd_vec_write.F... Compiling giao_b1_movecs_tools.F... Compiling aor_r1_beta_anl_tools.F... Compiling task_raman.F... Compiling raman_input.F... Compiling raman.F... Compiling waimfile.F... waimfile.F:1152:0: integer np,iorb,forb,nsf Warning: 'nsf' may be used uninitialized in this function [-Wmaybe-uninitialized] waimfile.F:1152:0: Warning: 'iorb' may be used uninitialized in this function [-Wmaybe-uninitialized] waimfile.F:1152:0: Warning: 'forb' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling hnd_eldmap_grid.F... Compiling prop_moldenfile.F... Compiling prop_grid.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libproperty.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libproperty.a echo /build/nwchem-6.8.1/lib/LINUX64/libproperty.a /build/nwchem-6.8.1/lib/LINUX64/libproperty.a Making libraries in solvation Compiling mnsol_mem.F... Compiling mnsol_interface.F... Compiling mnsol.F... mnsol.F:1436:31: IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) [-Wargument-mismatch] mnsol.F:1562:42: IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) [-Wargument-mismatch] mnsol.F:1785:43: IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) [-Wargument-mismatch] mnsol.F:1788:43: IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) [-Wargument-mismatch] mnsol.F:158:72: $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] mnsol.F:56:19: CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) [-Wargument-mismatch] Compiling solv_data.F... Compiling cosmo_smd_output.F... Compiling cosmo_vem_output.F... Compiling cosmo_input.F... Compiling cosmo_initialize.F... Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... Compiling cosmo_charges.F... Compiling hnd_cosmo_lib.F... hnd_cosmo_lib.F:2411:72: 1 x(i40),x(i50),ierr,nodcmp) 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] hnd_cosmo_lib.F:2427:72: 1 x(i40),x(i50),ierr,nodcmp) 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling grad_hnd_cos.F... grad_hnd_cos.F:114:0: double precision zeta1, zeta2, zeta12 Warning: 'zeta1' may be used uninitialized in this function [-Wmaybe-uninitialized] grad_hnd_cos.F:125:0: double precision rin, rout, alphai, xyzff Warning: 'xyzff' may be used uninitialized in this function [-Wmaybe-uninitialized] grad_hnd_cos.F:112:0: double precision dE, qfac, fact, dx, dy, dz, rr Warning: 'fact' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libsolvation.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o hnd_cosmo_lib.o grad_hnd_cos.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libsolvation.a echo /build/nwchem-6.8.1/lib/LINUX64/libsolvation.a /build/nwchem-6.8.1/lib/LINUX64/libsolvation.a Making libraries in nwpw Compiling nwpw_input.F... Compiling nwpw_default.F... Compiling nwpw_vectors_input.F... Making all in nwpwlib Making all in Parallel Compiling Parallel.F... Compiling Parallel-mpi.F... Parallel-mpi.F:203:72: call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:214:72: call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:380:72: call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:394:72: call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:407:72: call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:966:72: call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:971:72: call stupid_icopy4to8(n,int_mb(sumall(1)),sum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1162:72: call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1165:72: call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1252:72: call stupid_icopy8to4(nreq,req,int_mb(request2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1327:72: call stupid_icopy8to4(nreq,req,int_mb(request2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1668:72: call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1673:72: call stupid_icopy4to8(n,int_mb(sumall(1)),sum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1874:72: call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1877:72: call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:2249:72: call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:2388:72: call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in D1dB Compiling D1dB.F... Compiling Dne.F... Dne.F:7131:0: > 'work1in',work1in(2),work1in(1)) Warning: 'mcin[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Compiling D1dB-mpi.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in D3dB Compiling D3dB-new.F... D3dB-new.F:1659:72: call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-new.F:1668:72: call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-new.F:1754:72: call cshift1_fftb(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-new.F:1760:72: call zeroend_fftb(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-new.F:2197:72: call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-new.F:2357:72: call cshift_fftf(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] Compiling generate_map_indexes.F... Compiling hilbert.c... hilbert.c: In function 'hilbert2d': hilbert.c:126:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] int start,direction; ^~~~~~~~~ hilbert.c: In function 'hilbert_dir': hilbert.c:269:11: warning: 'direction' may be used uninitialized in this function [-Wmaybe-uninitialized] return direction; ^~~~~~~~~ Compiling hcurve.c... Compiling olist.c... Compiling trans.F... Compiling D3dB_pfft.F... Compiling D3dB-mpi.F... D3dB-mpi.F:3907:72: > dcpl_mb(tmp2(1))) !*** map1to3 operation *** 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-mpi.F:4147:72: > dcpl_mb(tmp2(1))) !*** map1to3 operation *** 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-mpi.F:5168:72: > dcpl_mb(tmp2(1))) !*** map3to1 operation *** 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-mpi.F:629:0: integer i,nnfft3d Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] D3dB-mpi.F:426:0: integer i,nnfft3d Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in Pneb Compiling Pneb.F... Pneb.F:1988:72: > sum2) 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Pneb.F:1990:72: call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Pneb.F:1994:72: > sum3) 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Pneb.F:2424:72: > tmp) 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Pneb.F:3478:72: > dbl_mb(svec_shift)) 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Pneb.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in K1dB Compiling K1dB.F... Compiling K1dB-mpi.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in C3dB Compiling C3dB-new.F... Compiling c_trans.F... Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... C3dB-mpi.F:2892:72: > dcpl_mb(tmp2(1))) !*** map1to3 operation *** 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] C3dB-mpi.F:433:0: integer i,nnfft3d Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] C3dB-mpi.F:617:0: integer i,nnfft3d Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in DMatrix Compiling DMatrix.F... Compiling DMatrix-mpi.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in CMatrix Compiling CMatrix.F... Compiling CMatrix-mpi.F... CMatrix-mpi.F:1857:0: integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 Warning: 'shft3' may be used uninitialized in this function [-Wmaybe-uninitialized] CMatrix-mpi.F:1857:0: Warning: 'shft2' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in TMatrix Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling daxpy_omp.F... Compiling dscal_omp.F... Compiling ffm_multiply_omp_group.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o dscal_omp.o ffm_multiply_omp_group.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in control Compiling control.F... Compiling psi_get_ne.F... Compiling psi_get_version.F... Compiling psi_get_header.F... Compiling cpsi_get_header.F... Compiling get_psp_type.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o get_psp_type.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in lattice Compiling lattice.f... Compiling mask_init.F... Compiling pack.F... Compiling cloak.F... Compiling cram.F... Compiling balance.F... Compiling c_balance.F... Compiling G_init.F... Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in io Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in ion Compiling center.f... Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... Compiling incell3.f... Compiling unfold.f... Compiling xyz.F... Compiling ion.F... Compiling katm_list.F... Compiling fcoord.f... Compiling seperate_molpsp.F... Compiling seperate_pointcharge.F... Compiling ion_scaling_atoms.F... Making all in shake Compiling shake_chain.F... Compiling shake_chain2.F... Compiling shake_chain3.F... Compiling shake_bonddiff.F... Compiling shake_analysis.F... Compiling molecular.F... Compiling pspw_molecule.c... Compiling pspw_atom.c... Compiling pspw_bond.c... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in pseudopotential Compiling psp_generator_input.F... Compiling pspsolve.c... In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] char *soutfile = (char *) malloc (m0 + m2 + 9); ^~~~~~~~ rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] int i, j, k, l, p, Nlinear, Nvalence; ^ rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] int i, j, k, l, p, Nlinear, Nvalence; ^ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] int i, j, k, l, p, Nlinear, Nvalence; ^ pspsolve.c: In function 'pspsolve_': pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized in this function [-Wmaybe-uninitialized] double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; ^~~~~~~~~~ Compiling hgh_parse.c... hgh_parse.c: In function 'hgh_parse_': hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] char words[20][80]; ^~~~~ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] int argc,value; ^~~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] int argc,value; ^~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] char line[255]; ^~~~ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] int nmax_l[4]; ^~~~~~ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] double rlocal_out; ^~~~~~~~~~ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] int lmax_out,locp_out; ^~~~~~~~ hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] int lmax_out,locp_out; ^~~~~~~~ Compiling cpi_parse.c... cpi_parse.c: In function 'cpi_parse_': cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] int argc,value; ^~~~ Compiling teter_parse.c... teter_parse.c: In function 'teter_parse_': teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] int argc; ^~~~ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] double r0,xx; ^~ Compiling carter_parse.c... carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] int argc; ^~~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~~ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] int n[10]; ^ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] double r0,xx; ^~ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] double r0,xx; ^~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] int lmax,locp,lmaxp; ^~~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] double drl=0.0,rmax; ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] **pspl; ^~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] **psil, ^~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] int i,k,l,p,p1; ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] int *nl; ^~ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] double over_fourpi; ^~~~~~~~~~~ Compiling qmmm_parse.c... qmmm_parse.c: In function 'qmmm_parse_': qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] int argc; ^~~~ qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; ^~~~~~~ Compiling get_word.c... Compiling name.c... Compiling loggrid.c... Compiling pred_cor.c... Compiling spline.c... Compiling grids.c... grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] printf(" address: %lx\n", grid); ~~^ ~~~~ grids.c:147:23: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] printf("%lx ", cur->grid); ~~^ ~~~~~~~~~ Compiling atom.c... atom.c: In function 'solve_Atom': atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] int it, converged, sz; ^~ atom.c: In function 'solve_Scattering_State_Atom': atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] int st; ^~ atom.c: In function 'print_Atom': atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] int i, st; ^~ Compiling schrodin.c... Compiling pauli.c... pauli.c: In function 'R_Pauli_Fixed_E': pauli.c:346:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] node, ^~~~ Compiling dirac.c... dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] L2, L0, ^~ dirac.c: In function 'R_Dirac_Fixed_E': dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; ^~ dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] sum, a, scale, m1scale, ^~~~~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] sum, a, scale, m1scale, ^ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] L2, L0, ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] int i, j, iteration, node, Ninf, Ngrid; ^~~~ Compiling zora.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] L2, L0, ^~ zora.c: In function 'R_ZORA_Fixed_E': zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; ^~ Compiling dft.c... dft.c: In function 'R_Screening_Cut': dft.c:127:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] int k,NN,n0,n1=0; ^~ dft.c:137:14: warning: 'v0' may be used uninitialized in this function [-Wmaybe-uninitialized] m = (v1-v0)/(r1-r0); ~~~^~~~ dft.c:137:22: warning: 'r0' may be used uninitialized in this function [-Wmaybe-uninitialized] m = (v1-v0)/(r1-r0); ~~~^~~~ Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... perdew_wang.c: In function 'R_Perdew_Wang': perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] double sevensixth; ^~~~~~~~~~ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] double onesixth; ^~~~~~~~ Compiling perdew_zunger.c... perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] double two_to_onethird; ^~~~~~~~~~~~~~~ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] double onethird,fourthird,twothird; ^~~~~~~~ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] double onethird,fourthird,twothird; ^~~~~~~~~ Compiling vosko.c... vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] double two_to_onethird; ^~~~~~~~~~~~~~~ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] double onesixth,onethird,fourthird,twothird; ^~~~~~~~ vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] double onesixth,onethird,fourthird,twothird; ^~~~~~~~~ Compiling pbe_exchange.c... pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] double onethird,fourthird,twothird; ^~~~~~~~ Compiling pbe_correlation.c... pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] double sevensixth; ^~~~~~~~~~ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] double onesixth; ^~~~~~~~ Compiling revpbe_exchange.c... revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] double onethird,fourthird,twothird; ^~~~~~~~ Compiling revpbe_correlation.c... revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] double sevensixth; ^~~~~~~~~~ revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] double onesixth; ^~~~~~~~ Compiling becke_exchange.c... becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:59:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] double *G2dr; ^~~~ becke_exchange.c:57:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] double *G2; ^~ becke_exchange.c:37:41: warning: unused variable 'two_onethird' [-Wunused-variable] double rho_fourthirds,rho_onethird, two_onethird; ^~~~~~~~~~~~ becke_exchange.c:35:24: warning: unused variable 'z1' [-Wunused-variable] double z5,z4,z3,z2,z1; ^~ becke_exchange.c:35:21: warning: unused variable 'z2' [-Wunused-variable] double z5,z4,z3,z2,z1; ^~ becke_exchange.c:35:18: warning: unused variable 'z3' [-Wunused-variable] double z5,z4,z3,z2,z1; ^~ becke_exchange.c:35:15: warning: unused variable 'z4' [-Wunused-variable] double z5,z4,z3,z2,z1; ^~ becke_exchange.c:35:12: warning: unused variable 'z5' [-Wunused-variable] double z5,z4,z3,z2,z1; ^~ becke_exchange.c:34:21: warning: unused variable 'ddamp' [-Wunused-variable] double lap,damp,ddamp; ^~~~~ becke_exchange.c:34:16: warning: unused variable 'damp' [-Wunused-variable] double lap,damp,ddamp; ^~~~ becke_exchange.c:33:12: warning: unused variable 'norm' [-Wunused-variable] double norm; ^~~~ Compiling lyp_correlation.c... lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] double norm; ^~~~ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] double smallnumber; ^~~~~~~~~~~ Compiling hamann.c... hamann.c: In function 'solve_Hamann': hamann.c:209:18: warning: 'w1l_prime' may be used uninitialized in this function [-Wmaybe-uninitialized] double *w1l,*w1l_prime, ^~~~~~~~~ Compiling troullier.c... troullier.c: In function 'solve_Troullier': troullier.c:191:15: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] double al,amesh,rmax,Zion; ^~~~~ Compiling xpansion.c... xpansion.c: In function 'get_c0_c10': xpansion.c:341:28: warning: 'ddelta' may be used uninitialized in this function [-Wmaybe-uninitialized] ddelta = -fdnew*ddelta/(fdnew-fdold); ~~~~~~^~~~~~~ xpansion.c: In function 'get_c0_c12': xpansion.c:434:28: warning: 'ddelta' may be used uninitialized in this function [-Wmaybe-uninitialized] ddelta = -fdnew*ddelta/(fdnew-fdold); ~~~~~~^~~~~~~ Compiling gaussj.c... gaussj.c: In function 'gaussj': gaussj.c:78:18: warning: 'irow' may be used uninitialized in this function [-Wmaybe-uninitialized] indxr[i] = irow; ~~~~~~~~~^~~~~~ gaussj.c:62:12: warning: 'icol' may be used uninitialized in this function [-Wmaybe-uninitialized] if (irow != icol) ^ Compiling vanderbilt.c... vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:15: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] double al,amesh,Zion; ^~~~~ Compiling xpansion2.c... xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] double r1,r2,r3,r5,r7,r9,r11; ^~~ xpansion2.c: In function 'ddp_xpansion2': xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] double r1,r2,r4,r6,r8,r10; ^~~ xpansion2.c: In function 'dddp_xpansion2': xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] double r1,r2,r3,r5,r7,r9; ^~ xpansion2.c: In function 'ddddp_xpansion2': xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] double r1,r2,r4,r6,r8; ^~ Compiling psp1d.c... Compiling generate_rho_semicore.c... Compiling debug.c... Compiling rhamann.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] int p, npsps, itmp; ^~~~ rhamann.c: In function 'solve_RelHamann': rhamann.c:193:17: warning: 'w1l_prime' may be used uninitialized in this function [-Wmaybe-uninitialized] double *w1l, *w1l_prime, *w2l, *w2l_prime; ^~~~~~~~~ Compiling rtroullier.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] double al, amesh, rmax, Zion; ^~~~~ Compiling rpsp.c... rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] char *w, *tc; ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] int p, p1, p2; ^~ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] int p, p1, p2; ^~ At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] static double rlocal, clocal; ^~~~~~ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] static double rlocal, clocal; ^~~~~~ Making all in paw_atom Compiling paw_atom_driver.c... paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] char *full_filename = (char *) malloc(m9+25+5); ^~~~~~~~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] int argc; ^~~~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] char comment[255]; ^~~~~~~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] FILE *fp; ^~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] char *w,*tc; ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] char *w,*tc; ^ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] double rchrg,fchrg,qchrg,pi; ^~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] double rchrg,fchrg,qchrg,pi; ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] double rchrg,fchrg,qchrg,pi; ^~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] double rchrg,fchrg,qchrg,pi; ^~~~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] int pspdat,pspcode,pspxc; ^~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] int pspdat,pspcode,pspxc; ^~~~~~~ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] int pspdat,pspcode,pspxc; ^~~~~~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] int n[10]; ^ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] double r0,xx; ^~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] double r0,xx; ^~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] int lmax,locp,lmaxp; ^~~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] int lmax,locp,lmaxp; ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] int lmax,locp,lmaxp; ^~~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] double drl,rmax; ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] double drl,rmax; ^~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] **pspl; ^~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] **psil, ^~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] double *rgrid,*psi,*psp; ^~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] double *rgrid,*psi,*psp; ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] double *rgrid,*psi,*psp; ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] int Ngrid,nrl; ^~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] int Ngrid,nrl; ^~~~~ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] int i,k,l,p,p1; ^~ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] int i,k,l,p,p1; ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] int i,k,l,p,p1; ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] int i,k,l,p,p1; ^ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] int i,k,l,p,p1; ^ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] int *nl; ^~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] double over_fourpi; ^~~~~~~~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] double zatom,zion; /* local psp parameters */ ^~~~ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] double zatom,zion; /* local psp parameters */ ^~~~~ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] double rlocal_out; ^~~~~~~~~~ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] int lmax_out,locp_out; ^~~~~~~~ paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] int lmax_out,locp_out; ^~~~~~~~ Compiling paw_atom.c... paw_atom.c: In function 'paw_init_paw_atom': paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] double *rgrid; ^~~~~ Compiling paw_basis.c... paw_basis.c: In function 'paw_init_paw_basis': paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] double *rgrid; ^~~~~ paw_basis.c: In function 'paw_generate_projectors_vanderbilt': paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] double max_phi; ^~~~~~~ paw_basis.c: In function 'paw_generate_projectors_blochl': paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] double **test_matrix; ^~~~~~~~~~~ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] double max_phi; ^~~~~~~ paw_basis.c: In function 'paw_scattering_test': paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] int Ngrid; ^~~~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~ paw_basis.c:1217:27: note: assuming directive output of 8 bytes sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~~~~~~~~ paw_basis.c:1217:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_test_to_file': paw_basis.c:1299:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~ paw_basis.c:1299:27: note: assuming directive output of 8 bytes sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~~~~~~~~ paw_basis.c:1299:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_scattering.c... paw_scattering.c: In function 'paw_solve_paw_scattering': paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] int Ngrid; ^~~~~ Compiling paw_schrodin.c... Compiling paw_pauli.c... paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:342:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] node, ^~~~ Compiling paw_orbitals.c... paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] double *rgrid; ^~~~~ paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~ paw_orbitals.c:683:23: note: assuming directive output of 8 bytes sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~ paw_orbitals.c:691:27: note: assuming directive output of 8 bytes sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~ paw_orbitals.c:691:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:729:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~ paw_orbitals.c:729:27: note: assuming directive output of 8 bytes sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_kinetic_energy.c... Compiling paw_potential.c... Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... Compiling paw_hartree.c... Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... paw_get_inverse.c: In function 'paw_get_inverse': paw_get_inverse.c:113:25: warning: 'irow' may be used uninitialized in this function [-Wmaybe-uninitialized] temp = a[irow][j]; ^ Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... paw_output.c: In function 'paw_generate_basis_file': paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] double** psi_ps0; ^~~~~~~ paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] double tmp; ^~~ Compiling paw_sdir.c... Compiling paw_my_memory.c... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in utilities Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_list.F... Compiling nwpw_scf_mixing.F... Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... Compiling cpmd_properties.F... Compiling nwpw_rdf.F... Compiling pair_dist.F... Compiling pair_dist2.F... Compiling pair_distab.F... Compiling auto_corr.F... Compiling generate_unfolded_xyz.F... Compiling matrix.f... Compiling simp.F... Compiling is_sORd.F... Compiling psi_filefind.F... Compiling v_psi_filefind.F... Compiling getfilling.F... Compiling CIF_write.F... Compiling densityofstates.F... Compiling MOTION_nframes.F... Compiling spdf_name.F... Compiling cell.F... Compiling cellgeometry.F... Compiling cpsi_data.F... Compiling psi_data.F... Compiling butter.F... Compiling print_elapsed_time.F... Compiling log_integrate.F... Compiling nwpw_parse.F... Compiling nwpw_matrix_invert.F... Compiling analysis_expansion_coef.F... Compiling nwpw_double_factorial.F... Compiling nwpw_kbpp_ray.F... Compiling nwpw_talker.c... Compiling nwpw_expression.F... Compiling nwpw_emachine.c... nwpw_emachine.c: In function 'nwpw_gencode': nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] char lexpr[500],rexpr[500],tmps[10],tmpss[10]; ^~~~~ nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] char lexpr[500],rexpr[500],tmps[10],tmpss[10]; ^~~~ nwpw_emachine.c: In function 'nwpw_emachine': nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] Integer op,arg1,arg2,arg3,arg4,ln1,ln2; ^~~~ nwpw_emachine.c: In function 'nwpw_fmachine': nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] Integer op,arg1,arg2,arg3,arg4,ln1,ln2; ^~~~ nwpw_emachine.c: In function 'nwpw_emachine_parse_': nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] int i; ^ Compiling BA_memory.F... Compiling btdb.F... Compiling beom.F... Compiling task_paulsmatrix.F... Compiling nwpw_cosmo.F... Making all in paw_utilities Compiling nwpw_gaunt.F... nwpw_gaunt.F:1298:0: real*8 r,cos_theta,phi,coeff Warning: 'coeff' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_gaunt.F:1299:0: complex*16 ctmp Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_gaunt.F:1299:0: Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpw_compcharge.F... nwpw_compcharge.F:1158:0: call Parallel_shared_vector_zero(.true.,8,dbl_mb(tmp(1))) Warning: 'tmp[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:1168:0: > dbl_mb(ftmp(1))) Warning: 'ftmp[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:0: integer Gx,Gy,Gz Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:0: Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:0: Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4222:0: > dbl_mb(ftmp(1))) Warning: 'ftmp[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:0: integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:0: Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:0: Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4486:0: > dbl_mb(ftmp(1))) Warning: 'ftmp[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:0: integer indx,indx1,indx2,Gx,Gy,Gz Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:0: Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:0: Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:5180:0: call ycopy(3*nion_paw,0.0d0,0,dbl_mb(ftmp(1)),1) Warning: 'ftmp[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:0: integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:0: Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:0: Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpw_xc.F... Compiling nwpw_vosko.F... Compiling nwpw_gga.F... Compiling nwpw_SpecialKummer.F... Compiling nwpw_GaussBessel.F... Compiling nwpw_WGaussian.F... Compiling nwpw_gauss_weights.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in unitcell Compiling simulation_cell_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in brillouin_zone Compiling brillouin_zone_input.F... Compiling brillioun.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in fractional Compiling fractional.F... Compiling frac_occ_input.F... Compiling frac_occ.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in linesearch Compiling linesearch.F... Compiling Order_Values.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in timing Compiling nwpw_timing.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in ewald Compiling ewald.F... ewald.F:1226:0: dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ewald.F:1793:0: dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ewald.F:2357:0: dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling ewald_strfac.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in thermostats Compiling nose-hoover.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a nose-hoover.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in MetaDynamics Compiling metadynamics_input.F... Compiling metadynamics_aux.F... metadynamics_aux.F:227:14: C1 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:229:14: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:243:20: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:255:17: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:306:14: C1 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:308:14: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:336:20: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:368:17: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:90:0: dVdN2 = dVdRb*dRbdN2 Warning: 'drbdn2' is used uninitialized in this function [-Wuninitialized] Compiling metadynamics.F... metadynamics.F:2153:0: real*8 wr,ar,br,wp,ap,bp,fr,fp,frp,gr,gp Warning: 'wr' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2153:0: Warning: 'wp' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2153:0: Warning: 'br' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2153:0: Warning: 'ar' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in TAMD Compiling tamd_input.F... Compiling tamd.F... tamd.F:2257:0: real*8 wr,ar,br,wp,ap,bp,fr,fp,frp,gr,gp Warning: 'wr' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2257:0: Warning: 'wp' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2257:0: Warning: 'br' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2257:0: Warning: 'ar' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in FMM Compiling fmm.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a fmm.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in md_xs Compiling md_xs_input.F... Compiling md_xs.F... md_xs.F:277:0: else if (mc_algorithm.eq.2) then Warning: 'mc_algorithm' may be used uninitialized in this function [-Wmaybe-uninitialized] md_xs.F:39:0: integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm note: 'mc_algorithm' was declared here Making all in FEFF6L Compiling feff6Lib.f... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a feff6Lib.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in nwpwxc Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... Compiling nwpwxc_nwchem.F... Compiling nwpwxc_vdw3d.F... nwpwxc_vdw3d.F:7:0: subroutine nwpwxc_copyc6(fname,maxc,max_elem,c6ab,maxci, note: variable tracking size limit exceeded with -fvar-tracking-assignments, retrying without Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... nwpwxc_x_ft97.F:116:0: Amat(n,D1_RB) = Amat(n,D1_RB)+dfdrbx*wght Warning: 'dfdrbx' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_x_ft97.F:82:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdrbx' was declared here nwpwxc_x_ft97.F:115:0: Amat(n,D1_RA) = Amat(n,D1_RA)+dfdrax*wght Warning: 'dfdrax' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_x_ft97.F:82:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdrax' was declared here nwpwxc_x_ft97.F:118:0: dfdzb=dfdgbbx*wght Warning: 'dfdgbbx' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_x_ft97.F:82:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdgbbx' was declared here nwpwxc_x_ft97.F:117:0: dfdza=dfdgaax*wght Warning: 'dfdgaax' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_x_ft97.F:82:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdgaax' was declared here Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... nwpwxc_c_tpss03.F:510:0: delca = -(1.d0 + ccc)*fabup*delc Warning: 'ccc' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:0: double precision zeta, ccc note: 'ccc' was declared here Compiling nwpwxc_c_vs98.F... Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... Compiling nwpwxc_c_vwn5.F... Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... Compiling nwpwxc_vdw3a.F... nwpwxc_vdw3a.F:1828:0: write(*,*)'' Warning: array subscript 1 is above array bounds of 'character(kind=1)[1:0]' [-Warray-bounds] nwpwxc_vdw3a.F:1744:0: edisp=-(e6+e8) Warning: 'e6' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:453:0: if(maxc6.and.k.lt.1)then Warning: 'k' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:450:0: if(minc6.and.j.lt.1)then Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpwxc_vdw3b.F... Compiling nwpwxc_vdw3c.F... nwpwxc_vdw3c.F:2337:0: edisp=-(e6+e8) Warning: 'e6' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpwxcP_xc_b97.c... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] double Gec_a0=0.0,Gec_b0=0.0; ^~~~~~ nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] double Gec_a0=0.0,Gec_b0=0.0; ^~~~~~ nwpwxcP_xc_b97.c:741:61: warning: 'Gec_a0_ra' may be used uninitialized in this function [-Wmaybe-uninitialized] FC[ _FXC_RAGAA ] = ScalGGAC*(0.0 + Gec_a0_ra*Ggc_aa_gaa + 0.0 + ec_a0*Ggc_aa_ragaa + 0.0 + Gec_ab_ra*Ggc_ab_gaa + 0.0 + ec_ab*Ggc_ab_ragaa); ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ nwpwxcP_xc_b97.c:743:61: warning: 'Gec_b0_rb' may be used uninitialized in this function [-Wmaybe-uninitialized] FC[ _FXC_RBGBB ] = ScalGGAC*(0.0 + Gec_b0_rb*Ggc_bb_gbb + 0.0 + ec_b0*Ggc_bb_rbgbb + 0.0 + Gec_ab_rb*Ggc_ab_gbb + 0.0 + ec_ab*Ggc_ab_rbgbb); ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ Compiling nwpwxc_x_b97.F... Compiling nwpwxc_c_b97.F... Compiling nwpwxc_xc_kt1.F... Compiling nwpwxc_c_spbe.F... Compiling nwpwxc_x_ssbD_1.F... Compiling nwpwxc_c_perdew81.F... Compiling nwpwxc_c_perdew86.F... Compiling nwpwxc_x_pw91.F... Compiling nwpwxc_x_pw6.F... Compiling nwpwxc_x_b86b.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3a.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in libraryps Compiling nwpw_library.F... nwpw_library.F:156:0: k_lgth=sqptr_r-sqptr_l-1 Warning: 'sqptr_r' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a /build/nwchem-6.8.1/lib/LINUX64/libnwpwlib.a Making all in pspw Compiling task_pspw.F... Making all in lib Making all in psi Compiling dipole.F... Compiling orthocheck.f... Compiling psi.F... Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... Compiling psi_dmatrix.F... Compiling psi_read.F... Compiling psi_write.F... Compiling v_psi_read.F... Compiling v_psi_write.F... Compiling psi_new.F... Compiling v_psi_new.F... Compiling psi_history.F... Compiling psi_write_filename.F... Compiling psi_read_filename.F... Compiling berry_phase_pol.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libpspw.a echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in electron Compiling psi_H.F... Compiling psi_Hv4.F... Compiling electron.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in ke Compiling ke.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ke.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in coulomb Compiling coulomb.F... Compiling coulomb2.F... Compiling coulomb_screened.F... coulomb_screened.F:647:72: call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] Compiling coulomb_screened_small.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in exchange-correlation Compiling v_bwexc_all.F... Compiling v_exc.F... Compiling v_mexc.F... v_mexc.F:77:0: rhog(1) = fn(1) Warning: 'fn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_mexc.F:77:0: Warning: 'fn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_mexc.F:77:0: Warning: 'fn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_mexc.F:77:0: Warning: 'fn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_mexc.F:77:0: Warning: 'fn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_mexc.F:80:0: tmp(1) = fdn(1) Warning: 'fdn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_mexc.F:277:0: fn(1) = xfn(1) Warning: 'xfn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling v_bwexc.F... v_bwexc.F:79:0: rhog(1) = fn(1) Warning: 'fn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_bwexc.F:79:0: Warning: 'fn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_bwexc.F:79:0: Warning: 'fn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_bwexc.F:79:0: Warning: 'fn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_bwexc.F:79:0: Warning: 'fn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_bwexc.F:82:0: tmp(1) = fdn(1) Warning: 'fdn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_bwexc.F:301:0: fn(1) = xfn(1) Warning: 'xfn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_bwexc.F:297:0: rhoup(1) = grad(1) Warning: 'grad[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling v_bwexc_euv.F... v_bwexc_euv.F:94:0: tmp(1) = fdn(1) Warning: 'fdn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] v_bwexc_euv.F:376:0: fn(1) = xfn(1) Warning: 'xfn[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpw_meta_gga.F... Compiling pbe96.f... Compiling pbesol.f... Compiling revpbe.f... Compiling blyp.f... Compiling b3lyp.F... Compiling bnl2007_x.F... Compiling hsepbe.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in sic Compiling pspw_sic.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a pspw_sic.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in hfx Compiling pspw_hfx.F... Compiling pspw_hfx_localized.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a pspw_hfx.o pspw_hfx_localized.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in ion Compiling ion_ion.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a ion_ion.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in psp Compiling MOTION.F... Compiling psp.F... psp.F:4471:72: > ierr) 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] psp.F:1918:0: integer exi(2),vtmp(2),xtmp(2),G(3) Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1918:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1918:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:2898:0: integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:2898:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:2898:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling psp_olddebug.F... psp_olddebug.F:35:0: integer G(3),npack1,nion,nu Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_olddebug.F:35:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_olddebug.F:35:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling psp_cmp_dE_Qlm.F... Compiling paw.F... paw.F:2970:72: > dbl_mb(rho_cmp(1))) 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] paw.F:3174:72: > dbl_mb(rho_cmp(1))) 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] paw.F:3193:72: > fion) 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] paw.F:4476:72: > dbl_mb(rho_cmp(1))) 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] paw.F:4495:72: > fion) 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] paw.F:1120:0: integer exi(2),vtmp(2),xtmp(2),G(3) Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] paw.F:1120:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] paw.F:1120:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] paw.F:3420:0: real*8 wij,taunt Warning: 'taunt' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling psp_stress.F... psp_stress.F:705:72: > ierr) 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling semicore.F... Compiling semicore_force.F... Compiling psp_U.F... psp_U.F:823:0: density_total = density(1)+density(ispin) Warning: 'density[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:823:0: Warning: 'density[_570]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:200:0: integer G(3),npack1,nion,nu Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:200:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:200:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling psp_ld.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in Grsm_list Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... Compiling pspw_lmbfgs2.F... Compiling pspw_lmbfgs3.F... Compiling pspw_diis.F... Compiling pspw_rmmdiis.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in aorbs Compiling aorbs.F... aorbs.F:687:72: > ierr) 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a aorbs.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in truncating_function Compiling truncating_function.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a truncating_function.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in kbpp Compiling psp_formatter_input.F... Compiling psp_formatter.F... Compiling psp_stress_formatter.F... Compiling pawppv1.F... Compiling hghppv1.F... Compiling HGH_local.F... Compiling HGH_nonlocal.F... Compiling Tesseral.F... Compiling kbppv3.F... Compiling kbppv3-stress.F... Compiling setup_kbpp.f... Compiling kbpp_ray.F... Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... Compiling integrate_stress_ray.F... Compiling aorbs_formatter.F... Compiling kbpp_orb.F... Compiling integrate_kbpp_orb.F... Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... Compiling kbppv3d_stress.F... Compiling integrate_kbppv3d.f... Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... Compiling kbppv3e.F... Compiling kbppv3e_stress.F... Compiling integrate_kbppv3e.f... Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... Compiling integrate_e_stress_ray.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in makepsi Compiling wvfnc_init_input.F... Compiling wvfnc_init.F... wvfnc_init.F:36:0: double complex cc,cx,sx,zx Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_init.F:36:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling wvfnc_new.F... wvfnc_new.F:114:0: double complex cc,cx,sx,zx,zc,rx,ry Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_new.F:114:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... Compiling wvfnc_reformat.F... Compiling wvfnc_ionize.F... Compiling wvfnc_adjust.F... wvfnc_adjust.F:119:0: double complex cc,cx,sx,zx,zc,rx,ry Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_adjust.F:119:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling wvfnc_convert_restricted.F... Compiling v_wvfnc_init_input.F... Compiling v_wvfnc_init.F... Compiling v_wvfnc_new.F... Compiling pspw_wannier_input.F... Compiling pspw_wannier.F... Compiling silvestrelli_overlap.F... Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... silvestrelli_overlap_old.F:53:0: psic = rgrid(1) Warning: 'rgrid[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling silvestrelli_minimize_old.F... Compiling pspw_wannier2.F... Compiling pspw_translate.F... Compiling expand_cell.F... Compiling wvfnc_expand_cell.F... Compiling band_reformat_c_wvfnc.F... Compiling makenodefunctions.F... makenodefunctions.F:113:72: call psi_derivative_f(itype,gx,gy,gz,psir) 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in cpsd Compiling cpsd_input.F... Compiling cpmd_input.F... Compiling cpsdv5.F... Compiling cpmdv5.F... Compiling mmsdv1.F... Compiling inner_loop_md.F... Compiling mm_loop.F... Compiling psi_lmbda.f... Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... Compiling psi_lmbda2.f... Compiling psi_lmbda3.f... Compiling psi_lmbda_omp.F... Compiling fei_output.F... Compiling dipole_motion.F... Compiling pspw_et.F... Compiling inner_loop.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o psi_lmbda_omp.o inner_loop.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in cgsd Compiling cgsd_input.F... Compiling pspw_noit_energy.F... Compiling pspw_energy.F... Compiling pspw_gradient.F... Compiling pspw_bq_gradient.F... Compiling pspw_stress.F... Compiling cgsdv5.F... cgsdv5.F:662:0: > 3*nion,dbl_mb(fion(1))) Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] cgsdv5.F:63:0: integer i,k,ia,nion,minimizer,mapping,mapping1d note: 'nion' was declared here cgsdv5.F:601:0: if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ Warning: 'evq' may be used uninitialized in this function [-Wmaybe-uninitialized] cgsdv5.F:61:0: real*8 EV,EVQ,pi,rs note: 'evq' was declared here Compiling cgmontecarlov1.F... cgmontecarlov1.F:81:0: integer vcount,geom1,frac1(2),nion1 Warning: 'frac1[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling cgoptimize1.F... cgoptimize1.F:429:0: if (opt_algorithm.eq.0) then Warning: 'opt_algorithm' may be used uninitialized in this function [-Wmaybe-uninitialized] cgoptimize1.F:75:0: integer opt_algorithm note: 'opt_algorithm' was declared here Compiling cgmdv5.F... Compiling mmmdv1.F... Compiling cgsd_noit_energy.F... Compiling cgsd_energy.F... Compiling cgsd_excited.F... Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... Compiling cgminimize2.F... Compiling bfgsminimize.F... Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... Compiling bybminimize.F... bybminimize.F:220:0: deltae = Enew-Eold Warning: 'enew' may be used uninitialized in this function [-Wmaybe-uninitialized] bybminimize.F:45:0: real*8 Enew,Eold,alpha note: 'enew' was declared here Compiling bybminimize2.F... bybminimize2.F:239:0: deltae = Enew-Eold Warning: 'enew' may be used uninitialized in this function [-Wmaybe-uninitialized] bybminimize2.F:46:0: real*8 Enew,Eold,alpha note: 'enew' was declared here Compiling sdminimize.F... Compiling nominimize.F... Compiling md_energy.F... Compiling kp_structure.F... kp_structure.F:120:0: dist = (kv(1)-kold(1))**2 Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] kp_structure.F:28:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[0]' was declared here kp_structure.F:121:0: dist = dist + (kv(2)-kold(2))**2 Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] kp_structure.F:28:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[1]' was declared here kp_structure.F:122:0: dist = dist + (kv(3)-kold(3))**2 Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] kp_structure.F:28:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[2]' was declared here Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in analysis Compiling analysis_input.F... Compiling analysis.F... Compiling orb_pop.F... Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_analysis.F... Making all in APC Compiling pspw_APC.F... Compiling pspw_Efield.F... Compiling util_diag_jacobi.F... Compiling util_sorteps.F... Compiling pspw_Efield_grad.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in cell_optimize Compiling cell_optimize_input.F... Compiling cell_optimize.F... Compiling update_unitcell.F... update_unitcell.F:31:0: call load_cellgeometry(geom,dbl_mb(r1(1)),unita) Warning: 'r1[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling pspw_stress_numerical.F... Compiling pspw_force_numerical.F... Compiling force_fd.F... force_fd.F:47:0: > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] force_fd.F:47:0: Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling stress_fd.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in qmmm Compiling pspw_qmmm_input.F... Compiling pspw_qmmm.F... Compiling pspw_2qmmm.F... Compiling pspw_springs.F... Making all in pspw_LJ Compiling pspw_LJ.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a pspw_LJ.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in pspw_Q Compiling pspw_Q.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a pspw_Q.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in pspw_Pair Compiling pspw_Pair.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a pspw_Pair.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in mmq Compiling mmq.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a mmq.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in charge Compiling pspw_charge.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a pspw_charge.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in dplot Compiling pspw_dplot_input.F... Compiling pspw_dplot.F... pspw_dplot.F:260:72: > dcpl_mb(psir(1))) 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] pspw_dplot.F:682:72: call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] pspw_dplot.F:272:72: > .false.,tag) 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] Compiling pspw_dplot_iteration.F... Compiling ELF.F... Compiling Ursenbach_smoother.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in lcao Compiling lcao_wvfnc.F... Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... lcao_generate_vlmatrix.F:40:0: vpsi = vlr_l(1) Warning: 'vlr_l[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling lcao_generate_vnlmatrix.F... Compiling lcao_generate_vhxcmatrix.F... Compiling lcao_init_dn.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... Compiling lcaov1.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpspw.a task_pspw.o echo /build/nwchem-6.8.1/lib/LINUX64/libpspw.a /build/nwchem-6.8.1/lib/LINUX64/libpspw.a Making all in paw Compiling task_paw.F... Making all in paw_geometry Making all in paw_ma Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_ma.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libpaw.a echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_utils Compiling integrate.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling io_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling chkerr.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling double_factorial.f... double_factorial.f:15:0: end Warning: '__result_double_factorial' may be used uninitialized in this function [-Wmaybe-uninitialized] double_factorial.f:1:0: double precision function double_factorial(n) note: '__result_double_factorial' was declared here Compiling bessel_transform.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_gauss_weights.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_basis Compiling paw_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_small_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_proj Compiling paw_proj.F... paw_proj.F:918:0: complex*16 coef Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:918:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:918:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:918:0: Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_proj.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_matrix Compiling paw_comp_charge_matrix.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_ovlp Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_comp_charge Compiling paw_comp_charge.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_comp_charge.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_special_functions Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... paw_gamma_function.F:135:72: PAUSE 'a too large, ITMAX too small in gcf' 1 Warning: Deleted feature: PAUSE statement at (1) Compiling paw_hypergeom1F1.F... paw_hypergeom1F1.F:12:0: DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) Warning: '__result_paw_hypergeom1f1' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_gaunt Compiling paw_gaunt.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_gaunt.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_kinetic Compiling paw_energy_kin_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_vloc Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_ion_potential Compiling paw_energy_ion_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_core Compiling paw_energy_core_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_hartree Compiling paw_matrix_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_pot_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_comp_pot Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_mult Compiling paw_mult.F... Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_nonlocal Compiling paw_nonlocal.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_nonlocal.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_density Compiling paw_density.F... paw_density.F:563:72: > paw_rho_ae(1,l2,ms)) 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_density.F:568:72: > paw_rho_ps(1,l2,ms)) 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_density.F:726:72: > paw_rho_ae_prime(1,l2,ms)) 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_density.F:733:72: > paw_rho_ps_prime(1,l2,ms)) 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_density.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_xc Compiling paw_xc.F... paw_xc.F:1275:72: > rho(1,ms)) 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:1315:72: > rho_prime(1,1,ms)) 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:1328:72: > rho_prime(1,2,ms)) 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:1335:72: > rho_prime(1,3,ms)) 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:671:72: > dcpl_mb(paw_dvxc_ps(1))) 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:686:72: > dcpl_mb(paw_vxc_ps(1))) 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:741:72: > dcpl_mb(paw_xc_matr(1))) 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:815:72: > dcpl_mb(paw_xc_dmatr(1))) 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_force Compiling paw_force.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_force.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_Grsm_list Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in paw_psi Compiling paw_psi.F... Compiling paw_psi2.F... paw_psi2.F:189:0: > dcpl_mb(t(1))) Warning: 'lmbda_r0' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_psi2.F:189:0: > dcpl_mb(t(1))) Warning: 'lmbda_r0' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_psi2.F:115:0: real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 note: 'lmbda_r0' was declared here Compiling paw_psi_new.F... Compiling paw_psi_H.F... Compiling paw_electron.F... Compiling paw_geodesic.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in cpsd Compiling paw_sd.F... Compiling paw_cpmd.F... paw_cpmd.F:200:0: integer icount,it_in,it_out,icount_shift Warning: 'icount_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling paw_inner_loop.F... Compiling paw_inner_loop_md.F... paw_inner_loop_md.F:128:0: real*8 eke,eki,sse,ssr,sa1,sa2 Warning: 'sa2' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_inner_loop_md.F:128:0: Warning: 'sa1' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling psi_marat_write.F... Compiling paw_output.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in cgsd Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_minimizer.F... paw_minimizer.F:505:0: > 3*nion,dbl_mb(fion(1))) Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_minimizer.F:64:0: integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d note: 'nion' was declared here Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... Compiling paw_bfgsminimize.F... Compiling paw_nominimize.F... Compiling paw_sdminimize.F... Compiling paw_cgsd_noit_energy.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in cell_optimize Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... Compiling paw_cell_optimize.F... Compiling paw_update_unitcell.F... paw_update_unitcell.F:31:0: call load_cellgeometry(geom,dbl_mb(r1(1)),unita) Warning: 'r1[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpaw.a task_paw.o echo /build/nwchem-6.8.1/lib/LINUX64/libpaw.a /build/nwchem-6.8.1/lib/LINUX64/libpaw.a Making all in band Compiling band_input.F... Compiling task_band.F... Compiling band_energy.F... Compiling band_noit_energy.F... Compiling band_gradient.F... Compiling band_stress.F... Making all in minimizer Compiling band_minimizer.F... band_minimizer.F:577:0: > 3*nion,dbl_mb(fion(1))) Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] band_minimizer.F:61:0: integer i,k,ia,nion,vers,nbrillioun,nb,ms note: 'nion' was declared here Compiling c_cgsd_energy.F... Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... Compiling c_bfgsminimize.F... Compiling c_bybminimize.F... Compiling c_bybminimize2.F... Compiling c_sdminimize.F... Compiling c_nominimize.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libband.a echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in structure Compiling band_structure.F... band_structure.F:695:0: dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_structure.F:60:0: real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut note: 'kold[2]' was declared here band_structure.F:695:0: dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_structure.F:60:0: real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut note: 'kold[1]' was declared here band_structure.F:695:0: dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_structure.F:60:0: real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut note: 'kold[0]' was declared here Compiling band_interpolate_structure.F... band_interpolate_structure.F:229:0: dist = (kv(1)-kold(1))**2 Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_interpolate_structure.F:22:0: real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV note: 'kold[0]' was declared here band_interpolate_structure.F:231:0: dist = dist + (kv(3)-kold(3))**2 Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_interpolate_structure.F:22:0: real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV note: 'kold[2]' was declared here band_interpolate_structure.F:230:0: dist = dist + (kv(2)-kold(2))**2 Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_interpolate_structure.F:22:0: real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV note: 'kold[1]' was declared here Compiling band_kp_structure.F... band_kp_structure.F:190:0: dist = (kv(1)-kold(1))**2 Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_kp_structure.F:23:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[0]' was declared here band_kp_structure.F:191:0: dist = dist + (kv(2)-kold(2))**2 Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_kp_structure.F:23:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[1]' was declared here band_kp_structure.F:192:0: dist = dist + (kv(3)-kold(3))**2 Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_kp_structure.F:23:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[2]' was declared here Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in cpsd Compiling band_sd.F... band_sd.F:820:0: write(luout,1457) E(20),E(20)/n2(ispin) Warning: 'n2[_366]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_sd.F:830:0: write(luout,1502) E(21),E(21)/n2(ispin) Warning: 'n2[_388]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling band_cpmd.F... band_cpmd.F:1119:0: eave = E(25)/dble(icount+icount_shift) Warning: 'icount_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] band_cpmd.F:89:0: integer icount,it_in,it_out,icount_shift note: 'icount_shift' was declared here band_cpmd.F:1052:0: call print_elapsed_time(icount*it_in*dt) Warning: 'dt' may be used uninitialized in this function [-Wmaybe-uninitialized] band_cpmd.F:85:0: real*8 EV,pi,dt,a,b,c,alpha,beta,gamma note: 'dt' was declared here Compiling band_inner_loop.F... band_inner_loop.F:359:72: > dte) 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling band_inner_loop_md.F... band_inner_loop_md.F:425:72: > dte,sse) 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_inner_loop_md.F:441:72: > dte,sa1,sa2) 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_inner_loop_md.F:466:72: > dte,s*dt*sa_alpha(1)) 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_inner_loop_md.F:516:0: if (np.gt.1) call Parallel_SumAll(eke) Warning: 'np' may be used uninitialized in this function [-Wmaybe-uninitialized] band_inner_loop_md.F:535:0: if (np.gt.1) call Parallel_SumAll(eke) Warning: 'np' may be used uninitialized in this function [-Wmaybe-uninitialized] band_inner_loop_md.F:50:0: real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h Warning: 'sa2' may be used uninitialized in this function [-Wmaybe-uninitialized] band_inner_loop_md.F:50:0: Warning: 'sa1' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in cell_optimize Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... Compiling band_update_unitcell.F... band_update_unitcell.F:31:0: call load_cellgeometry(geom,dbl_mb(r1(1)),unita) Warning: 'r1[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in kbpp Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... Compiling kbpp_band_orb.F... Compiling setup_kbpp_band.f... Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_nonlocal.F... Compiling integrate_kbpp_band_orb.F... Compiling kbpp_band_ray.F... Compiling integrate_kbpp_band_ray.F... Compiling integrate_kbpp_band_local_new.F... Compiling integrate_kbpp_band_nonlocal_new.F... Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... Compiling integrate_kbpp_band_stress_local.F... Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... Compiling integrate_kbpp_band_stress_local_new.F... Compiling integrate_kbpp_band_stress_nonlocal_new.F... Compiling HGH_band_local.F... Compiling HGH_band_nonlocal.F... Compiling Tesseral_band.F... Compiling Spherical_band.F... Compiling hghpp_band.F... Compiling rkbpp_band.F... rkbpp_band.F:774:0: real*8 function sjx(x,l,cosx,sinx) Warning: '__result_sjx' may be used uninitialized in this function [-Wmaybe-uninitialized] rkbpp_band.F:774:0: Warning: '__result_sjx' may be used uninitialized in this function [-Wmaybe-uninitialized] rkbpp_band.F:774:0: Warning: '__result_sjx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling kbpp_e_band.F... Compiling integrate_kbpp_e_band_nonlocal.F... Compiling integrate_kbpp_e_band_nonlocal_new.F... Compiling integrate_kbpp_e_band_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... Compiling kbpp_e_band_stress.F... Compiling integrate_kbpp_e_band_stress_local.F... Compiling integrate_kbpp_e_band_stress_local_new.F... Compiling integrate_kbpp_e_band_stress_ray.F... Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in makepsi Compiling c_wvfnc_new.F... c_wvfnc_new.F:133:0: double complex cc,cx,sx,zx,zc Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] c_wvfnc_new.F:133:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling c_wvfnc_expander.F... Compiling c_v_wvfnc_new.F... Compiling pspw_reformat_c_wvfnc.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in lib Making all in cpsp Compiling cpsp.F... cpsp.F:642:0: integer occ_tag,occ_shift,occ1_shift Warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:638:0: integer nfft3d,G(3),npack1,npack Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:638:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:638:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:1228:0: integer occ1_tag,occ1_shift,occ_shift Warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling cpsp_relativistic.F... cpsp_relativistic.F:383:0: integer nfft3d,G(3),npack1,npack Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp_relativistic.F:383:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp_relativistic.F:383:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling cpsp_projector.F... Compiling cpsp_stress.F... cpsp_stress.F:249:0: integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift Warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling c_semicore.F... Compiling c_semicore_force.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in ke Compiling cke.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a cke.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in coulomb Compiling c_coulomb.F... Compiling c_coulomb_screened.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in electron Compiling c_electron.F... c_electron.F:323:72: > dte) 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling cpsi_H.F... cpsi_H.F:148:0: if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 Warning: 'hpsir_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsi_H.F:33:0: integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 note: 'hpsir_shift' was declared here Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in psi Compiling cpsi.F... Compiling c_geodesic.F... Compiling cpsi_lmbda.F... Compiling cpsi_KS.F... cpsi_KS.F:1279:72: > dbl_mb(psi1_shift+(i-1)*nshift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] cpsi_KS.F:281:72: call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] cpsi_KS.F:1385:72: > dbl_mb(psi_ptr)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] cpsi_KS.F:370:72: call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] cpsi_KS.F:2333:72: call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling BGrsm.F... Compiling cpsi_spin2.F... Compiling c_check.F... Compiling cpsi_read.F... Compiling cpsi_write.F... Compiling cpsi_new.F... Compiling v_cpsi_new.F... Compiling v_cpsi_read.F... Compiling v_cpsi_write.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in hfx Compiling band_hfx.F... band_hfx.F:357:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:373:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:424:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:469:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:498:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:515:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:599:72: > orb_r,Horb_r) 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a band_hfx.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in Grsm_list Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in borbs Compiling borbs.F... borbs.F:612:72: > ierr) 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling borb_projector.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a borbs.o borb_projector.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in dplot Compiling band_dplot_input.F... Compiling band_dplot.F... Compiling band_dplot_iteration.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in analysis Compiling band_analysis.F... band_analysis.F:335:0: WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), Warning: 'sum_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] band_analysis.F:52:0: integer A_shift,sum_shift,psi_shift,eig_shift note: 'sum_shift' was declared here Compiling orb_pop_borb.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /build/nwchem-6.8.1/lib/LINUX64/libband.a /build/nwchem-6.8.1/lib/LINUX64/libband.a Making all in ofpw Compiling ofpw_energy.F... Compiling task_ofpw.F... Making all in minimizer Compiling ofpw_minimizer.F... ofpw_minimizer.F:508:0: > 3*nion,dbl_mb(fion(1))) Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] ofpw_minimizer.F:63:0: integer i,k,ia,nion,minimizer,mapping,mapping1d note: 'nion' was declared here Compiling ofpw_cgsd_energy.F... Compiling ofpw_cgminimize.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libofpw.a echo /build/nwchem-6.8.1/lib/LINUX64/libofpw.a /build/nwchem-6.8.1/lib/LINUX64/libofpw.a Making all in cpsd Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... Compiling chi_lmbda.f... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /build/nwchem-6.8.1/lib/LINUX64/libofpw.a /build/nwchem-6.8.1/lib/LINUX64/libofpw.a Making all in lib Making all in chi Compiling chi_read.F... Compiling chi_write.F... Compiling chi_new.F... Compiling chi_expander.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /build/nwchem-6.8.1/lib/LINUX64/libofpw.a /build/nwchem-6.8.1/lib/LINUX64/libofpw.a Making all in electron Compiling chi_H.F... Compiling chi_Hv4.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /build/nwchem-6.8.1/lib/LINUX64/libofpw.a /build/nwchem-6.8.1/lib/LINUX64/libofpw.a Making all in ke Compiling v_thomasfermi.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libofpw.a v_thomasfermi.o echo /build/nwchem-6.8.1/lib/LINUX64/libofpw.a /build/nwchem-6.8.1/lib/LINUX64/libofpw.a Making all in WGC Compiling wgc.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libofpw.a wgc.o echo /build/nwchem-6.8.1/lib/LINUX64/libofpw.a /build/nwchem-6.8.1/lib/LINUX64/libofpw.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /build/nwchem-6.8.1/lib/LINUX64/libofpw.a /build/nwchem-6.8.1/lib/LINUX64/libofpw.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libnwpw.a echo /build/nwchem-6.8.1/lib/LINUX64/libnwpw.a /build/nwchem-6.8.1/lib/LINUX64/libnwpw.a Making libraries in fft Making all in pfft1.0 Making all in fftpack Compiling dcfftb.F... Compiling dcfftf.F... Compiling dcffti.F... Compiling dcftb1.F... Compiling dcftf1.F... Compiling dcfti1.F... dcfti1.F:16:0: if (j.gt.4) ntry = ntry + 2 Warning: 'ntry' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling dpssb.F... Compiling dpssb2.F... dpssb2.F:22:41: dpssb2.F:17:72: do 103 i=2,ido,2 2 dpssb2.F:22:41: ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:23:43: dpssb2.F:17:72: do 103 i=2,ido,2 2 dpssb2.F:23:43: ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb3.F... dpssb3.F:43:41: dpssb3.F:30:72: do 103 i=2,ido,2 2 dpssb3.F:43:41: ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:44:43: dpssb3.F:30:72: do 103 i=2,ido,2 2 dpssb3.F:44:43: ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:45:41: dpssb3.F:30:72: do 103 i=2,ido,2 2 dpssb3.F:45:41: ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:46:43: dpssb3.F:30:72: do 103 i=2,ido,2 2 dpssb3.F:46:43: ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb4.F... dpssb4.F:48:43: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:48:43: ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:49:41: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:49:41: ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:50:43: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:50:43: ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:51:41: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:51:41: ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:43: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:52:43: ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:41: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:53:41: ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb5.F... dpssb5.F:78:43: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:78:43: ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:79:41: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:79:41: ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:80:43: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:80:43: ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:81:41: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:81:41: ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:43: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:82:43: ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:41: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:83:41: ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:43: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:84:43: ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:41: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:85:41: ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf.F... Compiling dpssf2.F... dpssf2.F:22:41: dpssf2.F:17:72: do 103 i=2,ido,2 2 dpssf2.F:22:41: ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:23:43: dpssf2.F:17:72: do 103 i=2,ido,2 2 dpssf2.F:23:43: ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf3.F... dpssf3.F:41:41: dpssf3.F:28:72: do 103 i=2,ido,2 2 dpssf3.F:41:41: ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:42:43: dpssf3.F:28:72: do 103 i=2,ido,2 2 dpssf3.F:42:43: ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:43:41: dpssf3.F:28:72: do 103 i=2,ido,2 2 dpssf3.F:43:41: ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:44:43: dpssf3.F:28:72: do 103 i=2,ido,2 2 dpssf3.F:44:43: ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf4.F... dpssf4.F:48:43: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:48:43: ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:49:41: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:49:41: ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:50:43: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:50:43: ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:51:41: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:51:41: ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:43: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:52:43: ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:41: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:53:41: ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf5.F... dpssf5.F:73:43: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:73:43: ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:74:41: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:74:41: ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:75:43: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:75:43: ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:76:41: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:76:41: ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:43: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:77:43: ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:41: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:78:41: ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:43: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:79:43: ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:41: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:80:41: ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling drfftb.F... Compiling drfftf.F... Compiling drffti.F... Compiling drftb1.F... Compiling drftf1.F... Compiling drfti1.F... Compiling dradb2.F... dradb2.F:30:44: dradb2.F:25:72: do i = 1, (ido - 1)/2 2 dradb2.F:30:44: ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:31:46: dradb2.F:25:72: do i = 1, (ido - 1)/2 2 dradb2.F:31:46: ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb3.F... dradb3.F:43:44: dradb3.F:30:72: do i = 1, ((ido - 1)/2) 2 dradb3.F:43:44: ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:44:46: dradb3.F:30:72: do i = 1, ((ido - 1)/2) 2 dradb3.F:44:46: ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:45:44: dradb3.F:30:72: do i = 1, ((ido - 1)/2) 2 dradb3.F:45:44: ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:46:46: dradb3.F:30:72: do i = 1, ((ido - 1)/2) 2 dradb3.F:46:46: ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb4.F... dradb4.F:51:44: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:51:44: ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:52:46: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:52:46: ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:53:44: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:53:44: ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:54:46: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:54:46: ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:44: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:55:44: ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:46: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:56:46: ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb5.F... dradb5.F:68:44: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:68:44: ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:69:46: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:69:46: ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:70:44: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:70:44: ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:71:46: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:71:46: ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:44: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:72:44: ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:46: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:73:46: ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:44: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:74:44: ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:46: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:75:46: ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradbg.F... Compiling dradf2.F... dradf2.F:26:44: do i = 1, ((ido - 1)/2) 2 tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf2.F:27:46: dradf2.F:25:72: do i = 1, ((ido - 1)/2) 2 dradf2.F:27:46: ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf3.F... dradf3.F:29:44: do i = 1, ((ido - 1)/2) 2 dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:30:46: dradf3.F:28:72: do i = 1, ((ido - 1)/2) 2 dradf3.F:30:46: di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:31:44: dradf3.F:28:72: do i = 1, ((ido - 1)/2) 2 dradf3.F:31:44: dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:32:46: dradf3.F:28:72: do i = 1, ((ido - 1)/2) 2 dradf3.F:32:46: di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf4.F... dradf4.F:33:44: do i = 1, ((ido - 1)/2) 2 cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:34:46: dradf4.F:32:72: do i = 1, ((ido - 1)/2) 2 dradf4.F:34:46: ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:35:44: dradf4.F:32:72: do i = 1, ((ido - 1)/2) 2 dradf4.F:35:44: cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:36:46: dradf4.F:32:72: do i = 1, ((ido - 1)/2) 2 dradf4.F:36:46: ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:44: dradf4.F:32:72: do i = 1, ((ido - 1)/2) 2 dradf4.F:37:44: cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:46: dradf4.F:32:72: do i = 1, ((ido - 1)/2) 2 dradf4.F:38:46: ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf5.F... dradf5.F:38:44: do i = 1, ((ido - 1)/2) 2 dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:39:46: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:39:46: di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:40:44: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:40:44: dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:41:46: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:41:46: di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:44: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:42:44: dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:46: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:43:46: di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:44: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:44:44: dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:45:46: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:45:46: di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradfg.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpfft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpfft.a dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libpfft.a echo /build/nwchem-6.8.1/lib/LINUX64/libpfft.a /build/nwchem-6.8.1/lib/LINUX64/libpfft.a Making all in pfft Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling mapchk.F... Compiling prlst2.F... Compiling xstop.F... Compiling pairup.F... Compiling gexit.F... Compiling igdiff.F... Compiling lstcnt.F... Compiling lstind.F... Compiling pfft.F... Compiling pfft3d.F... Compiling prfft3.F... Compiling prfft.F... Compiling prffti.F... Compiling chk3d.F... Compiling mfftc1.F... Compiling mfftr1.F... Compiling mcfftr.F... Compiling mrfftr.F... Compiling pfft1i.F... Compiling pfft1.F... Compiling wrkspc2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpfft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /build/nwchem-6.8.1/lib/LINUX64/libpfft.a /build/nwchem-6.8.1/lib/LINUX64/libpfft.a Making all in pfftwrap Compiling nwfft3d.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libpfft.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libpfft.a nwfft3d.o echo /build/nwchem-6.8.1/lib/LINUX64/libpfft.a /build/nwchem-6.8.1/lib/LINUX64/libpfft.a Making libraries in python Compiling python_input.F... f951: Warning: Nonexistent include directory '/usr/Include' [-Wmissing-include-dirs] Compiling task_python.c... Compiling nwchem_wrap.c... Compiling nw_inp_from_string.c... nw_inp_from_string.c: In function 'nw_inp_from_string': nw_inp_from_string.c:37:10: warning: unused variable 'fstring' [-Wunused-variable] char fstring[255]; ^~~~~~~ Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwpython.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libnwpython.a echo /build/nwchem-6.8.1/lib/LINUX64/libnwpython.a /build/nwchem-6.8.1/lib/LINUX64/libnwpython.a Making libraries in analyz Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... Compiling ana_diel.F... Compiling ana_esppt.F... Compiling ana_finish.F... Compiling ana_groups.F... ana_groups.F:431:0: xa(1)=xa(1)+x(ia,1) Warning: 'xa[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:444:0: xb(3)=xb(3)+x(ia,3) Warning: 'xb[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:442:0: xb(1)=xb(1)+x(ia,1) Warning: 'xb[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:432:0: xa(2)=xa(2)+x(ia,2) Warning: 'xa[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:433:0: xa(3)=xa(3)+x(ia,3) Warning: 'xa[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:443:0: xb(2)=xb(2)+x(ia,2) Warning: 'xb[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling ana_hbond.F... Compiling ana_index.F... Compiling ana_init.F... Compiling ana_inirms.F... Compiling ana_initx.F... Compiling ana_input.F... Compiling ana_pltgrd.F... Compiling ana_rama.F... Compiling ana_rdhdr.F... Compiling ana_rdf.F... Compiling ana_rdfram.F... Compiling ana_rdref.F... Compiling ana_rdtop.F... Compiling ana_report.F... ana_report.F:135:0: + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) Warning: 'timf' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling ana_rmsdev.F... Compiling ana_rtdbin.F... Compiling ana_select.F... Compiling ana_sizref.F... Compiling ana_tag.F... Compiling ana_task.F... Compiling ana_torsion.F... Compiling ana_wtfram.F... Compiling ana_wthdr.F... Compiling ana_wrtpdb.F... Compiling ana_wrtxyz.F... Compiling ana_xaver.F... Compiling ana_covar.F... Compiling analyz.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libanalyze.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libanalyze.a echo /build/nwchem-6.8.1/lib/LINUX64/libanalyze.a /build/nwchem-6.8.1/lib/LINUX64/libanalyze.a Making libraries in nwmd Compiling nwmd.F... Compiling md_start.F... md_start.F:1323:44: if(nserie.gt.0) call md_rdrest(lfnrst,filrst) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) [-Wargument-mismatch] md_start.F:319:0: root=filnam(1:ibl)//gid Warning: 'ibl' may be used uninitialized in this function [-Wmaybe-uninitialized] md_start.F:12:0: integer iun,ibl note: 'ibl' was declared here Compiling md_input.F... Compiling md_main.F... md_main.F:647:28: call md_wrtrst(lfnqrs,filqrs,.false.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) [-Wargument-mismatch] md_main.F:1203:28: call md_wrtrst(lfnqrs,filqrs,.false.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) [-Wargument-mismatch] md_main.F:1310:28: call md_wrtrst(lfnrst,rfile,.true.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) [-Wargument-mismatch] md_main.F:1608:57: if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) [-Wargument-mismatch] Compiling md_finish.F... Compiling prp_init.F... Compiling prp_main.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libnwmd.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libnwmd.a echo /build/nwchem-6.8.1/lib/LINUX64/libnwmd.a /build/nwchem-6.8.1/lib/LINUX64/libnwmd.a Making libraries in cafe Compiling cf_d.F... Compiling cf_fp.F... Compiling cf_f.F... cf_f.fh:4664:0: elseif(isrx.lt.0) then Warning: 'isrx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... Compiling cf_list.F... Compiling cf_main.F... Compiling cf_pairs.F... Compiling cf_pbc.F... Compiling cf_rdgeom.F... Compiling cf_shake.F... Compiling cf_grid.F... Compiling cf_rdtop.F... Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.F... Compiling pme_grid.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libcafe.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libcafe.a echo /build/nwchem-6.8.1/lib/LINUX64/libcafe.a /build/nwchem-6.8.1/lib/LINUX64/libcafe.a Making libraries in space Compiling sp_init.F... Compiling sp_main.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libspace.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libspace.a sp_init.o sp_main.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libspace.a echo /build/nwchem-6.8.1/lib/LINUX64/libspace.a /build/nwchem-6.8.1/lib/LINUX64/libspace.a Making libraries in drdy Compiling atsym.F... Compiling drdy.F... Compiling drdy_input.F... Compiling Input_for_drdy.F... Compiling drdy_synch.F... Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... Compiling rgeom.F... Compiling rgsad.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... Compiling trans.F... Compiling tranf.F... Compiling drdy_center.F... Compiling rotx.F... Compiling moiten.F... Compiling pot2.F... Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... Compiling restor.F... Compiling drdy_nwc_get.F... Compiling react2.F... Compiling saddle.F... Compiling setpth.F... Compiling diagf.F... Compiling pmlqsp.F... Compiling mxlneq.F... Compiling pmclqa.F... Compiling path.F... Compiling path2.F... Compiling pot1.F... Compiling euler.F... Compiling pmlqa.F... Compiling dsdt.F... Compiling rsp.F... Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... Compiling projct.F... Compiling pythag.F... Compiling getstr.F... Compiling io.F... Compiling sumout.F... Compiling wfiles.F... Compiling nwc_gen.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libdrdy.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libdrdy.a echo /build/nwchem-6.8.1/lib/LINUX64/libdrdy.a /build/nwchem-6.8.1/lib/LINUX64/libdrdy.a Making libraries in vscf Compiling vscf_input.F... Compiling vscf.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libvscf.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libvscf.a vscf_input.o vscf.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libvscf.a echo /build/nwchem-6.8.1/lib/LINUX64/libvscf.a /build/nwchem-6.8.1/lib/LINUX64/libvscf.a Making libraries in qmmm Compiling qmmm.F... Compiling task_qmmm_gradient.F... Compiling mm_interface.F... Compiling qmmm_link.F... Compiling qmmm_data.F... Compiling qmmm_lbfgsb.F... Compiling qmmm_utils.F... Compiling task_qmmm_energy.F... Compiling qmmm_main.F... Compiling qmmm_check_forces.F... Compiling qmmm_bq.F... Compiling qmmm_esp.F... Compiling qmmm_cons.F... Compiling qmmm_geom.F... qmmm_geom.F:703:28: > 0, 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling qmmm_bq_data.F... qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling task_qmmm_optimize.F... Compiling task_qmmm_dynamics.F... Compiling qmmm_output.F... Compiling mm_utils.F... Compiling qmmm_input.F... Compiling qmmm_pes.F... Compiling qmmm_property.F... Compiling task_qmmm_fep.F... Compiling task_qmmm_abc.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libqmmm.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libqmmm.a echo /build/nwchem-6.8.1/lib/LINUX64/libqmmm.a /build/nwchem-6.8.1/lib/LINUX64/libqmmm.a Making libraries in qmd Compiling qmd_init.F... qmd_init.F:109:0: m_nh(ichain) = nh_mass(ichain) ! mass of chains Warning: 'MEM[(real(kind=8) *)&nh_mass]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling qmd_driver.F... Compiling qmd_main.F... Compiling qmd_input.F... Compiling qmd_start.F... Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... Compiling qmd_nucl_dt.F... Compiling qmd_gradient.F... Compiling qmd_geom_store.F... Compiling qmd_thermostat.F... Compiling qmd_kinetic.F... Compiling qmd_write_trj.F... Compiling qmd_write_rst.F... Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... Compiling qmd_read_rst.F... Compiling qmd_gamdev.F... Compiling qmd_sumno.F... Compiling qmd_fix_momentum.F... Compiling qmd_freeze_inactive.F... Compiling qmd_cavity.F... Compiling qmd_energy.F... Compiling qmd_coup.F... Compiling qmd_move_civecs.F... Compiling qmd_elec_prop.F... Compiling qmd_tdks_enmo.F... Compiling qmd_tddft_enmo.F... Compiling qmd_namd_init.F... Compiling qmd_namd_input.F... Compiling qmd_set_den.F... Compiling qmd_coords_vels.F... Compiling qmd_civecs_read.F... Compiling qmd_property.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libqmd.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libqmd.a echo /build/nwchem-6.8.1/lib/LINUX64/libqmd.a /build/nwchem-6.8.1/lib/LINUX64/libqmd.a Making libraries in etrans Compiling et_calc.F... Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... Compiling et_det.F... Compiling et_2e.F... Compiling et_dgefa.F... Compiling et_movecs_read.F... Compiling et_vectors_inp.F... Compiling et_fock.F... Compiling et_dens_prod.F... Compiling et_omega2_mult.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libetrans.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_dgefa.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libetrans.a echo /build/nwchem-6.8.1/lib/LINUX64/libetrans.a /build/nwchem-6.8.1/lib/LINUX64/libetrans.a Making libraries in tce Compiling tce_input.F... Compiling tce_init.F... Compiling tce_energy.F... Compiling tce_energy_fragment.F... Compiling tce_tile.F... tce_tile.F:357:0: oatiles(1)=nblocks_a Warning: 'nblocks_a' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_tile.F:68:0: integer nblocks_a,nblocks_ia note: 'nblocks_a' was declared here Compiling tce_ao1e.F... Compiling tce_mo1e.F... Compiling tce_ao2e.F... Compiling tce_filename.F... Compiling createfile.F... Compiling deletefile.F... deletefile.F:22:0: integer i,j Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling reconcilefile.F... Compiling dratoga.F... Compiling gatodra.F... Compiling gatoeaf.F... Compiling get_block.F... get_block.F:64:0: filename = filenames(j) Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block.F:21:0: integer i,j note: 'j' was declared here Compiling put_block.F... put_block.F:64:0: filename = filenames(j) Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] put_block.F:21:0: integer i,j note: 'j' was declared here Compiling add_block.F... add_block.F:76:0: filename = filenames(j) Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] add_block.F:29:0: integer i,j note: 'j' was declared here Compiling tce_tidy.F... Compiling sf_test.F... Compiling hbar.F... Compiling tce_mo2e.F... Compiling tce_mo1e_offset.F... Compiling tce_mo2e_offset.F... Compiling tce_e_offset.F... Compiling tce_guess_t1.F... Compiling tce_guess_t2.F... Compiling tce_zero.F... Compiling tce_print_x1.F... Compiling tce_print_x2.F... Compiling tce_residual_t1.F... Compiling tce_residual_t2.F... Compiling tce_residual_t3.F... Compiling tce_residual_t4.F... Compiling ma_pack.F... Compiling sf_print.F... Compiling ma_print_compact.F... Compiling ma_scale.F... Compiling copyfile.F... Compiling ddotfile.F... Compiling daxfile.F... Compiling daxpyfile.F... Compiling dscalfile.F... Compiling tce_aod1.F... Compiling tce_nud1.F... Compiling tce_mod1.F... Compiling tce_mod1_offset.F... Compiling sym_abelian_axis.F... sym_abelian_axis.F:21:0: #include "global.fh" ! ga_nodeid() Warning: extra tokens at end of #include directive sym_abelian_axis.F:22:0: #include "util.fh" ! util_print(..) Warning: extra tokens at end of #include directive sym_abelian_axis.F:23:0: #include "stdio.fh" ! LuOut=6 Warning: extra tokens at end of #include directive Compiling tce_mod1_new.F... Compiling tce_mod1_offset_new.F... Compiling tce_eom_init.F... Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... Compiling tce_eom_ydiagon.F... Compiling tce_t1_offset.F... Compiling tce_t2_offset.F... Compiling tce_t3_offset.F... Compiling tce_t4_offset.F... Compiling tce_x1_offset.F... Compiling tce_x2_offset.F... Compiling tce_x3_offset.F... Compiling tce_x4_offset.F... Compiling tce_y1_offset.F... Compiling tce_y2_offset.F... Compiling tce_y3_offset.F... Compiling tce_y4_offset.F... Compiling tce_mbpt2.F... Compiling tce_restricted.F... Compiling tce_hash.F... Compiling get_hash_block.F... Compiling put_hash_block.F... Compiling add_hash_block.F... Compiling tce_residual_t3a.F... Compiling tce_t3a_offset.F... Compiling tce_x3a_offset.F... Compiling tce_cholesky.F... Compiling tce_ao2e_cholesky.F... Compiling tce_ao2e_cholesky_2d.F... Compiling tce_ao2e_cholesky_4d.F... Compiling e2_offset_2_offset.F... Compiling get_block_ind.F... get_block_ind.F:507:0: key_alpha = second_h Warning: 'second_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:59:0: integer key_ix,nkey,first_h,second_h note: 'second_h' was declared here get_block_ind.F:219:0: key_alpha = first_h Warning: 'first_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:59:0: integer key_ix,nkey,first_h,second_h note: 'first_h' was declared here get_block_ind.F:200:0: 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) Warning: 'inx4' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:61:0: integer inx1,inx2,inx3,inx4 note: 'inx4' was declared here get_block_ind.F:200:0: 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) Warning: 'inx3' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:61:0: integer inx1,inx2,inx3,inx4 note: 'inx3' was declared here get_block_ind.F:515:0: ig2b=int_mb(k_b2am+g2b-1) Warning: 'inx2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:61:0: integer inx1,inx2,inx3,inx4 note: 'inx2' was declared here get_block_ind.F:200:0: 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) Warning: 'inx1' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:61:0: integer inx1,inx2,inx3,inx4 note: 'inx1' was declared here Compiling get_block_ind_sf.F... get_block_ind_sf.F:435:0: key_alpha = second_h Warning: 'second_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:45:0: integer key_ix,nkey,first_h,second_h note: 'second_h' was declared here get_block_ind_sf.F:207:0: key_alpha = first_h Warning: 'first_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:45:0: integer key_ix,nkey,first_h,second_h note: 'first_h' was declared here get_block_ind_sf.F:524:0: size4 = int_mb(k_range+g4b-1) Warning: 'inx4' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 note: 'inx4' was declared here get_block_ind_sf.F:522:0: size3 = int_mb(k_range+g3b-1) Warning: 'inx3' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 note: 'inx3' was declared here get_block_ind_sf.F:525:0: size2 = int_mb(k_range+g2b-1) Warning: 'inx2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 note: 'inx2' was declared here get_block_ind_sf.F:523:0: size1 = int_mb(k_range+g1b-1) Warning: 'inx1' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 note: 'inx1' was declared here Compiling tce_hash_ind.F... Compiling tce_mo2e_offset_intorb.F... Compiling tce_mo2e_offset_size.F... Compiling tce_mo2e_trans.F... Compiling atpart_nalength.F... Compiling tce_mo2e_zones_4a_disk_ga.F... Compiling tce_mo2e_zones_4a_disk_ga_chop.F... Compiling tce_mo2e_zones_4a_disk_2s_new.F... Compiling tce_restart.F... Compiling tce_restart_triples.F... Compiling tce_restart_quadruples.F... Compiling tce_dens_hh_offset.F... Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling get_mo_rdm_hp.F... Compiling get_mo_rdm_ph.F... Compiling get_mo_rdm_pp.F... Compiling ao_rdm_write.F... Compiling tce_prop_start.F... Compiling tce_property.F... Compiling tce_diagnose_t1.F... Compiling tce_fourindex_driver.F... Compiling tce_fock_create.F... Compiling tce_multipole_create.F... Compiling tce_reference_check.F... Compiling tce_fourindex_cleanup.F... Compiling tce_fock_destroy.F... Compiling tce_multipole_destroy.F... Compiling tce_create_t1.F... Compiling tce_create_t2.F... Compiling tce_create_t3.F... Compiling tce_create_t4.F... Compiling tce_create_x1.F... Compiling tce_create_x2.F... Compiling tce_create_x3.F... Compiling tce_create_x4.F... Compiling tce_create_y1.F... Compiling tce_create_y2.F... Compiling tce_create_y3.F... Compiling tce_create_y4.F... Compiling tce_clone_x1.F... Compiling tce_clone_x2.F... Compiling tce_clone_x3.F... Compiling tce_clone_x4.F... Compiling tce_clone_y1.F... Compiling tce_clone_y2.F... Compiling tce_clone_y3.F... Compiling tce_clone_y4.F... Compiling tce_t1_offset_new.F... Compiling tce_t2_offset_new.F... Compiling tce_t3_offset_new.F... Compiling tce_t4_offset_new.F... Compiling tce_x1_offset_new.F... Compiling tce_x2_offset_new.F... Compiling tce_x3_offset_new.F... Compiling tce_x4_offset_new.F... Compiling tce_y1_offset_new.F... Compiling tce_y2_offset_new.F... Compiling tce_y3_offset_new.F... Compiling tce_y4_offset_new.F... Compiling tce_ccsd_driver.F... Compiling tce_ccsdt_driver.F... Compiling tce_ccsdtq_driver.F... Compiling tce_ccsd_perturbative.F... Compiling tce_ccsd_lambda_perturbative.F... Compiling tce_ccsd_lambda_driver.F... Compiling tce_ccsdt_lambda_driver.F... Compiling tce_ccsdtq_lambda_driver.F... Compiling tce_ccsd_response_driver.F... Compiling tce_ccsdt_response_driver.F... Compiling tce_ccsdtq_response_driver.F... Compiling tce_ccsd_symm_polar.F... Compiling tce_ccsdt_symm_polar.F... Compiling tce_ccsdtq_symm_polar.F... Compiling tce_ccsd_lambda_response_driver.F... Compiling tce_ccsd_asym_polar.F... Compiling tce_ccsd_hyperpolar.F... Compiling tce_ao2e_new.F... Compiling tce_mo2e_new.F... Compiling tce_tile_new.F... tce_tile_new.F:451:0: oatiles(1)=nblocks_a Warning: 'nblocks_a' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_tile_new.F:750:0: oatiles(1)=nblocks_a Warning: 'nblocks_a' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling tce_init_new.F... tce_init_new.F:606:0: if (rohf.and.(i.eq.2)) then Warning: 'rohf' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_init_new.F:42:0: logical rohf note: 'rohf' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:0: if(size_4af.le.size_max2) then Warning: 'size_max2' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:0: Warning: 'size_4af' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:0: integer key_4af,offset_4af,size_4af note: 'size_4af' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:0: if(size_4af.le.size_max2) then Warning: 'size_max2' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:0: Warning: 'size_4af' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:0: integer key_4af,offset_4af,size_4af note: 'size_4af' was declared here Compiling tce_ao2e_disk.F... Compiling tce_mo2e_disk.F... Compiling tce_mo2e_disk_2eorb.F... Compiling tce_mo2e_incore_2eorb.F... Compiling tce_mo2e_incore_2eorb_split.F... Compiling tce_mo2e_hybrid_2eorb_split.F... tce_mo2e_hybrid_2eorb_split.F:262:0: if(size_4af.le.size_max2) then Warning: 'size_max2' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:262:0: Warning: 'size_4af' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:0: integer key_4af,offset_4af,size_4af note: 'size_4af' was declared here Compiling tce_mo2e_offset_intorb_hybrid.F... Compiling tce_mo2e_2emet3.F... Compiling tce_mo2e_2emet3_n5.F... Compiling tce_mo2e_2emet4.F... Compiling tce_mo2e_2emet4_n5.F... Compiling get_hash_block_ma.F... Compiling ccsd_energy_loc.F... Compiling cc2_energy.F... Compiling ccsd_lambda.F... Compiling ccsd_lr_alpha.F... Compiling ccsd_qr_beta.F... Compiling tce_dgeev.F... tce_dgeev.F:402:0: WORK( 1 ) = MAXWRK Warning: 'maxwrk' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling tce_schmidt.F... Compiling tensor_read_write.F... Compiling tce_diis_act.F... Compiling tce_mo2e_zones_4a_disk_ga_act.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... Compiling tce_t2a_offset.F... Compiling tce_x2a_offset.F... Compiling new_ga4ind_N5.F... new_ga4ind_N5.F:2048:39: call n4ind_transp(buf,dbl_mb(k_work1),nalength, 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling new4ind_N5_osu.F... Compiling tce_mo2e_zones_4a_disk_ga_N5.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... Compiling tce_eom_xguess.F... Compiling tce_eom_yguess.F... Compiling ma_transpose.F... Making all in include Making all in diis Compiling tce_diis.F... Compiling tce_diis_init.F... Compiling tce_diis_switch.F... Compiling tce_diis_tidy.F... Compiling tce_jacobi_t1.F... Compiling tce_jacobi_t2.F... Compiling tce_jacobi_t3.F... Compiling tce_jacobi_t4.F... Compiling tce_jacobi_l1.F... Compiling tce_jacobi_l2.F... Compiling tce_jacobi_l3.F... Compiling tce_jacobi_l4.F... Compiling tce_jacobi_x1.F... Compiling tce_jacobi_x2.F... Compiling tce_jacobi_x3.F... Compiling tce_jacobi_x4.F... Compiling tce_jacobi_y1.F... Compiling tce_jacobi_y2.F... Compiling tce_jacobi_y3.F... Compiling tce_jacobi_y4.F... Compiling tce_jacobi_t3a.F... Compiling tce_jacobi_x3a.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libtce.a echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in diis2 Compiling tce_diis2.F... Compiling tce_jacobi_tr1.F... Compiling tce_jacobi_tr2.F... Compiling tce_jacobi_tr3.F... Compiling tce_jacobi_tr4.F... Compiling tce_jacobi_lr1.F... Compiling tce_jacobi_lr2.F... Compiling tce_jacobi_lr3.F... Compiling tce_jacobi_lr4.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in gradients Compiling tce_gradient.F... Compiling ccsd_energy.F... Compiling ccsd_left.F... Compiling ccsd_gradient.F... Compiling ccsd_1pdm_hh_mo.F... Compiling ccsd_1pdm_pp_mo.F... Compiling ccsd_1pdm_hp_mo.F... Compiling ccsd_1pdm_ph_mo.F... Compiling ccsd_2pdm_hhhh_mo.F... Compiling ccsd_2pdm_hhhp_mo.F... Compiling ccsd_2pdm_hhpp_mo.F... Compiling ccsd_2pdm_hphh_mo.F... Compiling ccsd_2pdm_hphp_mo.F... Compiling ccsd_2pdm_hppp_mo.F... Compiling ccsd_2pdm_pphh_mo.F... Compiling ccsd_2pdm_pphp_mo.F... Compiling ccsd_2pdm_pppp_mo.F... Compiling zvec_x_a_a.F... Compiling zvec_x_a_b_a.F... Compiling zvec_x_a_b_b.F... Compiling zvec_x_a_c_a.F... Compiling zvec_x_a_c_b.F... Compiling zvec_x_a_d.F... Compiling zvec_x_a_e_a.F... Compiling zvec_x_a_e_b.F... Compiling zvec_x_a_f_a.F... Compiling zvec_x_a_f_b.F... Compiling zvec_x_b_a_a.F... Compiling zvec_x_b_a_b.F... Compiling zvec_x_b_b_a.F... Compiling zvec_x_b_b_b.F... Compiling zvec_x_b_c.F... Compiling zvec_x_b_d_a.F... Compiling zvec_x_b_d_b.F... Compiling zvec_x_b_e_a.F... Compiling zvec_x_b_e_b.F... Compiling zvec_x_b_f.F... Compiling zvec_x_c_a.F... Compiling zvec_x_c_b.F... Compiling ccsd_zvec.F... Compiling wdm_hh_mo_a.F... Compiling wdm_hh_mo_b_a_a.F... Compiling wdm_hh_mo_b_a_b.F... Compiling wdm_hh_mo_b_b_a.F... Compiling wdm_hh_mo_b_b_b.F... Compiling wdm_hh_mo_c_a.F... Compiling wdm_hh_mo_c_b_a.F... Compiling wdm_hh_mo_c_b_b.F... Compiling wdm_hh_mo_c_c_a.F... Compiling wdm_hh_mo_c_c_b.F... Compiling wdm_hh_mo_c_d.F... Compiling wdm_hh_mo_c_e_a.F... Compiling wdm_hh_mo_c_e_b.F... Compiling wdm_hh_mo_c_f_a.F... Compiling wdm_hh_mo_c_f_b.F... Compiling wdm_hh_mo_d.F... Compiling wdm_hp_mo_a.F... Compiling wdm_hp_mo_b_a_a.F... Compiling wdm_hp_mo_b_a_b.F... Compiling wdm_hp_mo_b_b_a.F... Compiling wdm_hp_mo_b_b_b.F... Compiling wdm_hp_mo_b_c.F... Compiling wdm_hp_mo_b_d_a.F... Compiling wdm_hp_mo_b_d_b.F... Compiling wdm_hp_mo_b_e_a.F... Compiling wdm_hp_mo_b_e_b.F... Compiling wdm_hp_mo_b_f.F... Compiling wdm_hp_mo_c.F... Compiling wdm_pp_mo_a.F... Compiling wdm_pp_mo_b_a_a.F... Compiling wdm_pp_mo_b_a_b.F... Compiling wdm_pp_mo_b_b_a.F... Compiling wdm_pp_mo_b_b_b.F... Compiling wdm_pp_mo_b_c.F... Compiling wdm_pp_mo_b_d_a.F... Compiling wdm_pp_mo_b_d_b.F... Compiling wdm_pp_mo_b_e_a.F... Compiling wdm_pp_mo_b_e_b.F... Compiling wdm_pp_mo_b_f.F... Compiling tce_grad_tidy.F... Compiling tce_ccsd_1prdm.F... Compiling tce_dens_hhhh_offset.F... Compiling tce_dens_hhhp_offset.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_dens_hphh_offset.F... Compiling tce_dens_hphp_offset.F... Compiling tce_dens_hppp_offset.F... Compiling tce_dens_pphh_offset.F... Compiling tce_dens_pphp_offset.F... Compiling tce_dens_pppp_offset.F... Compiling tce_zvec_x1_offset.F... Compiling tce_2pdm_offset.F... Compiling put_2pdm_hhhh.F... Compiling put_2pdm_hhhp.F... Compiling put_2pdm_hhpp.F... Compiling put_2pdm_hphh.F... Compiling put_2pdm_hphp.F... Compiling put_2pdm_hppp.F... Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... Compiling put_2pdm_pppp.F... Compiling tce_1pdm_offset.F... Compiling put_1pdm_hh.F... Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... Compiling put_1pwdm_hp.F... Compiling ao_tiles.F... Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... Compiling tce_grad_force.F... Compiling tce_grad1.F... tce_grad1.F:101:0: write(LuOut,*)'' Warning: array subscript 1 is above array bounds of 'character(kind=1)[1:0]' [-Warray-bounds] Compiling tce_grad2.F... Compiling sym_2pdm_ao.F... Compiling btrans2.F... Compiling eomccsd_energy.F... Compiling eomccsd_left.F... Compiling eomccsd_gradients.F... Compiling eomccsd_1pdm_hh_mo.F... Compiling eomccsd_1pdm_pp_mo.F... Compiling tce_eomccsd_1prdm.F... Compiling eomccsd_2pdm_hhhh_mo.F... Compiling eomccsd_2pdm_hhhp_mo.F... Compiling eomccsd_2pdm_hhpp_mo.F... Compiling eomccsd_2pdm_hphh_mo.F... Compiling eomccsd_2pdm_hphp_mo.F... Compiling eomccsd_2pdm_hppp_mo.F... Compiling eomccsd_2pdm_pphh_mo.F... Compiling eomccsd_2pdm_pphp_mo.F... Compiling eomccsd_2pdm_pppp_mo.F... Compiling eomccsd_z1.F... Compiling eomccsd_z2.F... Compiling eomccsd_2pdm_pphh_zvec_mo.F... Compiling eomccsd_1pdm_hp_mo.F... Compiling eomccsd_1pdm_ph_mo.F... Compiling eomccsd_x1_grad.F... Compiling eomccsd_x2_grad.F... Compiling tce_eom_xdiagon_grad.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsd Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... Compiling ccsd_1prdm.F... Compiling ccsd_1prdm_hh.F... Compiling ccsd_1prdm_hp.F... Compiling ccsd_1prdm_ph.F... Compiling ccsd_1prdm_pp.F... Compiling icsd_t1.F... Compiling icsd_t2.F... Compiling ccsd_kernels.F... Compiling ccsd_t2_8.F... Compiling tce_1b_dens_print.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsd_lambda Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in eomccsd Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... Compiling eomccsd_y2.F... Compiling eomccsd_density1.F... Compiling eomccsd_denominator.F... Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... Compiling eomccsd_1prdm_ph.F... Compiling eomccsd_1prdm_pp.F... Compiling eomccsd_x1_old.F... Compiling eomccsd_x2_old.F... Compiling eomicsd_x1.F... Compiling eomicsd_x2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsd_t Compiling cr_ccsd_t.F... Compiling lr_ccsd_t.F... Compiling ccsd_t.F... ccsd_t.F:118:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t.F:131:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive Compiling ccsd_t_doubles.F... Compiling ccsd_t_singles.F... Compiling lambda_ccsd_t.F... Compiling lambda_ccsd_t_left.F... Compiling ccsd_t_doubles_l.F... Compiling ccsd_t_singles_l.F... Compiling ccsd2_t.F... ccsd2_t.F:75:0: 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_right' is used uninitialized in this function [-Wuninitialized] ccsd2_t.F:80:0: 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_left' is used uninitialized in this function [-Wuninitialized] Compiling ccsd2_t_left.F... Compiling ccsd2_q.F... ccsd2_q.F:55:0: 4 t_p5b,t_p6b,t_p7b,t_p8b,1) Warning: 'k_right' is used uninitialized in this function [-Wuninitialized] ccsd2_q.F:58:0: 2 t_p5b,t_p6b,t_p7b,t_p8b,1) Warning: 'k_left' is used uninitialized in this function [-Wuninitialized] Compiling ccsd2_q_left.F... Compiling ccsd2_q_right.F... Compiling ccsdt2_q.F... ccsdt2_q.F:77:0: 7 t_p5b,t_p6b,t_p7b,t_p8b,1) Warning: 'k_right' is used uninitialized in this function [-Wuninitialized] ccsdt2_q.F:83:0: 5 t_p5b,t_p6b,t_p7b,t_p8b,1) Warning: 'k_left' is used uninitialized in this function [-Wuninitialized] Compiling ccsdt2_q_left.F... Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... Compiling cr_ccsd_t_E.F... Compiling cr_ccsd_t_N.F... Compiling lr_ccsd_tq.F... Compiling cr_qcisd_t.F... cr_qcisd_t.F:260:0: 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_right_3' is used uninitialized in this function [-Wuninitialized] cr_qcisd_t.F:263:0: 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_denom' is used uninitialized in this function [-Wuninitialized] Compiling m2_dot_m1t1.F... Compiling ccsd_t_restart.F... Compiling ccsd_t_6dts.F... ccsd_t_6dts.F:31:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:34:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:217:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:222:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:244:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:247:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:252:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:254:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:260:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:262:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:304:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:309:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:332:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:337:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... Compiling offl_ccsd_t_doubles_l.F... offl_ccsd_t_doubles_l.F:703:72: D deltat_mic) 1 Warning: Type mismatch in argument 'deltat' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling ccsd_t_kernels_omp.F... Compiling tce_hashnsort.F... Compiling ccsd_t_pstat.F... Compiling offl_ccsd_t_singles_l.F... Compiling offl_ccsd_t_singles_l_1.F... Compiling ccsd_t_dot.F... Compiling ccsd_t_neword.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o offl_ccsd_t_singles_l.o offl_ccsd_t_singles_l_1.o ccsd_t_dot.o ccsd_t_neword.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in cr-eomccsd_t Compiling c1_c1.F... Compiling c2_c2.F... Compiling cr_eomccsd_t.F... Compiling cr_eomccsd_t_gr.F... cr_eomccsd_t_gr.F:143:0: 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_right1' is used uninitialized in this function [-Wuninitialized] cr_eomccsd_t_gr.F:153:0: 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_den0' is used uninitialized in this function [-Wuninitialized] Compiling t2t12.F... Compiling nr0.F... Compiling c1excit2.F... Compiling c2excit2.F... Compiling q3rexpt2.F... Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... Compiling cr_eomccsd_t_n2_1.F... Compiling cr_eomccsd_t_n2_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1.F... Compiling cr_eomccsd_t_n2_1_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... Compiling cr_eomccsd_t_n2_1_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... Compiling cr_eomccsd_t_n2_1_1_2_2.F... Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... Compiling cr_eomccsd_t_n2_1_3.F... Compiling cr_eomccsd_t_n2_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_1.F... Compiling cr_eomccsd_t_n2_1_3_2.F... Compiling cr_eomccsd_t_n2_1_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... Compiling cr_eomccsd_t_n2_1_4_1.F... Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... Compiling cr_eomccsd_t_n2_1_5_1.F... Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... Compiling cr_eomccsd_t_n2_1_6_1.F... Compiling offset_cr_eomccsd_t_n2_1_6_1.F... Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... Compiling offset_cr_eomccsd_t_n2_1_7_1.F... Compiling cr_eomccsd_t_n2_1_7_2.F... Compiling cr_eomccsd_t_n2_1_8.F... Compiling cr_eomccsd_t_n2_1_8_1.F... Compiling offset_cr_eomccsd_t_n2_1_8_1.F... Compiling cr_eomccsd_t_n2_1_8_2.F... Compiling cr_eomccsd_t_n2_1_9.F... Compiling cr_eomccsd_t_n2_2.F... Compiling cr_eomccsd_t_n2_2_1.F... Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... Compiling cr_eomccsd_t_n2_3.F... Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... Compiling cr_eomccsd_t_n2_3_2.F... Compiling cr_eomccsd_t_n2_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... Compiling cr_eomccsd_t_n2_3_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_3_1.F... Compiling cr_eomccsd_t_n2_3_3_2.F... Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... Compiling cr_eomccsd_t_n2_4_1.F... Compiling offset_cr_eomccsd_t_n2_4_1.F... Compiling cr_eomccsd_t_n2_4_1_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_1.F... Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... Compiling cr_eomccsd_t_n2_4_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... Compiling cr_eomccsd_t_n2_4_1_4.F... Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2.F... Compiling cr_eomccsd_t_n2_4_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... Compiling cr_eomccsd_t_n2_5.F... Compiling cr_eomccsd_t_n2_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... Compiling cr_eomccsd_t_n2_5_4.F... Compiling cr_eomccsd_t_n2_5_4_1.F... Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... Compiling cr_eomccsd_t_n2_5_5_2.F... Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... Compiling offset_cr_eomccsd_t_n2_6_1.F... Compiling cr_eomccsd_t_n2_6_2.F... Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... Compiling q3rexpt2_6dts.F... Compiling creomccsd_t_n2_mem_6dts.F... Compiling cr_eomccsd_t_6dts.F... Compiling cr_ccsd_t_N_6dts.F... Compiling cr_ccsd_t_E_6dts.F... Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in lrh Compiling tce_loc_j1.F... Compiling tce_loc_j2.F... tce_loc_j2.F:156:0: if (restricted.and.(spin_sum.eq.6).and.(spin_suml.eq.4)) Warning: 'spin_suml' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:47:0: integer spin_sum,spin_suml note: 'spin_suml' was declared here tce_loc_j2.F:47:0: Warning: 'spin_sum' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:103:0: ip2alpha=int_mb(k_offset+p2alpha-1)+p2 Warning: 'p2alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:48:0: integer p2alpha note: 'p2alpha' was declared here tce_loc_j2.F:159:0: 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN Warning: 'ip2alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:50:0: integer ip2alpha note: 'ip2alpha' was declared here tce_loc_j2.F:159:0: 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN Warning: 'ih4alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:51:0: integer ih4alpha note: 'ih4alpha' was declared here tce_loc_j2.F:104:0: ih4alpha=int_mb(k_offset+h4alpha-1)+h4 Warning: 'h4alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:49:0: integer h4alpha note: 'h4alpha' was declared here Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a tce_loc_j1.o tce_loc_j2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in emb Compiling c1v.F... Compiling c2vt1_s.F... Compiling emb1.F... emb1.F:288:0: 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_right1' may be used uninitialized in this function [-Wmaybe-uninitialized] emb1.F:308:0: 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_den0' may be used uninitialized in this function [-Wmaybe-uninitialized] emb1.F:321:0: &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_c2vs' is used uninitialized in this function [-Wuninitialized] emb1.F:336:0: &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_c1v' is used uninitialized in this function [-Wuninitialized] Compiling emb2.F... emb2.F:295:0: &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_right1' may be used uninitialized in this function [-Wmaybe-uninitialized] emb2.F:313:0: 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_den0' may be used uninitialized in this function [-Wmaybe-uninitialized] emb2.F:326:0: &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_c2vs' is used uninitialized in this function [-Wuninitialized] emb2.F:341:0: &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_c1v' is used uninitialized in this function [-Wuninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccd Compiling ccd_e.F... Compiling ccd_t2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a ccd_e.o ccd_t2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in lccd Compiling lccd_e.F... Compiling lccd_t2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a lccd_e.o lccd_t2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in lccsd Compiling lccsd_e.F... Compiling lccsd_t1.F... Compiling lccsd_t2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in qcisd Compiling qcisd_e.F... Compiling qcisd_t1.F... Compiling qcisd_t2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in cc3 Compiling cc3_t3.F... Compiling ccsdt1b_t3.F... Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in mbpt1 Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a mbpt1_t1.o mbpt1_t2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in mbpt2 Compiling mbpt2_e.F... Compiling mbpt2_t1.F... Compiling mbpt2_t2.F... Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... Compiling mbpt2_t1_sd.F... Compiling mbpt2_t2_sd.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in mbpt3 Compiling mbpt3_e.F... Compiling mbpt3_t1.F... Compiling mbpt3_t2.F... Compiling mbpt3_t1_sd.F... Compiling mbpt3_t2_sd.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in mbpt4 Compiling mbpt4_e.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a mbpt4_e.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in cis Compiling cis.F... Compiling cis_x1.F... Compiling cis_xdiagon.F... Compiling cis_xtidy.F... Compiling cis_xguess.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in cisd Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a cisd_e.o cisd_c1.o cisd_c2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in cisdt Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in cisdtq Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... Compiling cisdtq_c4.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsd_act Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... Compiling activity.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in eomccsd_act Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in cr_eomccsd_t_act Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... Compiling q3rexpt2_act.F... Compiling cr_ccsd_t_N_act.F... Compiling creomccsd_t_n2_act_mem.F... Compiling cr_eomccsd_tasim.F... cr_eomccsd_tasim.F:261:0: &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) Warning: 'k_right' is used uninitialized in this function [-Wuninitialized] Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in sort Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... Compiling new_sort2.F... Compiling new_sort4.F... Compiling new_sort6.F... Compiling tce_sort8.F... Compiling tce_sortacc8.F... Compiling tce_sort1.f... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in eaccsd Compiling eaccsd_x1.F... Compiling eaccsd_x2.F... Compiling tce_print_eax1.F... Compiling tce_print_eax2.F... Compiling tce_eax1_offset.F... Compiling tce_eax2_offset.F... Compiling tce_eom_eaxguess.F... Compiling tce_jacobi_eax1.F... Compiling tce_jacobi_eax2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ipccsd Compiling ipccsd_x1.F... Compiling ipccsd_x2.F... Compiling tce_print_ipx1.F... Compiling tce_print_ipx2.F... Compiling tce_ipx1_offset.F... Compiling tce_ipx2_offset.F... Compiling tce_eom_ipxguess.F... Compiling tce_jacobi_ipx1.F... Compiling tce_jacobi_ipx2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsdt Compiling ccsdt_e.F... Compiling ccsdt_t1.F... Compiling ccsdt_t2.F... Compiling ccsdt_t3.F... Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... Compiling ccsdt_t3a.F... Compiling ccsdt_t3_1.F... Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... Compiling ccsdt_t3_1_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_1.F... Compiling ccsdt_t3_1_2_2.F... Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... Compiling ccsdt_t3_1_2_2_2.F... Compiling ccsdt_t3_1_2_3.F... Compiling ccsdt_t3_1_3.F... Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... Compiling ccsdt_t3_1_3_2.F... Compiling ccsdt_t3_1_4.F... Compiling ccsdt_t3_1_4_1.F... Compiling OFFSET_ccsdt_t3_1_4_1.F... Compiling ccsdt_t3_1_4_2.F... Compiling ccsdt_t3_1_5.F... Compiling ccsdt_t3_1_5_1.F... Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... Compiling ccsdt_t3_1_6.F... Compiling ccsdt_t3_1_7.F... Compiling ccsdt_t3_2.F... Compiling ccsdt_t3_2_1.F... Compiling OFFSET_ccsdt_t3_2_1.F... Compiling ccsdt_t3_2_2.F... Compiling ccsdt_t3_2_3.F... Compiling ccsdt_t3_2_3_1.F... Compiling OFFSET_ccsdt_t3_2_3_1.F... Compiling ccsdt_t3_2_3_2.F... Compiling ccsdt_t3_2_4.F... Compiling ccsdt_t3_2_5.F... Compiling ccsdt_t3_3.F... Compiling ccsdt_t3_3_1.F... Compiling OFFSET_ccsdt_t3_3_1.F... Compiling ccsdt_t3_3_2.F... Compiling ccsdt_t3_3_2_1.F... Compiling OFFSET_ccsdt_t3_3_2_1.F... Compiling ccsdt_t3_3_2_2.F... Compiling ccsdt_t3_3_3.F... Compiling ccsdt_t3_3_4.F... Compiling ccsdt_t3_4.F... Compiling ccsdt_t3_4_1.F... Compiling OFFSET_ccsdt_t3_4_1.F... Compiling ccsdt_t3_4_2.F... Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... Compiling ccsdt_t3_5_1.F... Compiling OFFSET_ccsdt_t3_5_1.F... Compiling ccsdt_t3_5_2.F... Compiling ccsdt_t3_5_2_1.F... Compiling OFFSET_ccsdt_t3_5_2_1.F... Compiling ccsdt_t3_5_2_2.F... Compiling ccsdt_t3_5_3.F... Compiling ccsdt_t3_6.F... Compiling ccsdt_t3_6_1.F... Compiling OFFSET_ccsdt_t3_6_1.F... Compiling ccsdt_t3_6_2.F... Compiling ccsdt_t3_6_3.F... Compiling ccsdt_t3_7.F... Compiling ccsdt_t3_8.F... Compiling ccsdt_t3_8_1.F... Compiling OFFSET_ccsdt_t3_8_1.F... Compiling ccsdt_t3_8_1_1.F... Compiling OFFSET_ccsdt_t3_8_1_1.F... Compiling ccsdt_t3_8_1_2.F... Compiling ccsdt_t3_8_1_2_1.F... Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... Compiling ccsdt_t3_8_1_3.F... Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... Compiling ccsdt_t3_8_3.F... Compiling ccsdt_t3_8_3_1.F... Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... Compiling ccsdt_t3_8_5_1.F... Compiling OFFSET_ccsdt_t3_8_5_1.F... Compiling ccsdt_t3_9.F... Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... Compiling ccsdt_t3a_1.F... Compiling ccsdt_t3a_1_1.F... Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_1.F... Compiling ccsdt_t3a_1_2_2.F... Compiling ccsdt_t3a_1_2_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... Compiling ccsdt_t3a_1_2_2_2.F... Compiling ccsdt_t3a_1_2_3.F... Compiling ccsdt_t3a_1_3.F... Compiling ccsdt_t3a_1_3_1.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... Compiling ccsdt_t3a_1_4_1.F... Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... Compiling ccsdt_t3a_1_5.F... Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... Compiling ccsdt_t3a_1_7.F... Compiling ccsdt_t3a_2.F... Compiling ccsdt_t3a_2_1.F... Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... Compiling ccsdt_t3a_2_3.F... Compiling ccsdt_t3a_2_3_1.F... Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... Compiling ccsdt_t3a_2_4.F... Compiling ccsdt_t3a_2_5.F... Compiling ccsdt_t3a_3.F... Compiling ccsdt_t3a_3_1.F... Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... Compiling ccsdt_t3a_3_2_1.F... Compiling OFFSET_ccsdt_t3a_3_2_1.F... Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... Compiling ccsdt_t3a_3_4.F... Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... Compiling OFFSET_ccsdt_t3a_4_1.F... Compiling ccsdt_t3a_4_2.F... Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... Compiling ccsdt_t3a_5_1.F... Compiling OFFSET_ccsdt_t3a_5_1.F... Compiling ccsdt_t3a_5_2.F... Compiling ccsdt_t3a_5_2_1.F... Compiling OFFSET_ccsdt_t3a_5_2_1.F... Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... Compiling ccsdt_t3a_8_1_1.F... Compiling OFFSET_ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_2.F... Compiling ccsdt_t3a_8_1_2_1.F... Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... Compiling ccsdt_t3a_8_1_4.F... Compiling ccsdt_t3a_8_2.F... Compiling ccsdt_t3a_8_2_1.F... Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... Compiling ccsdt_t3a_8_3.F... Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... Compiling ccsdt_t3a_8_3_2.F... Compiling ccsdt_t3a_8_4.F... Compiling ccsdt_t3a_8_5.F... Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... Compiling ccsdt_t3a_9.F... Compiling ccsdt_t3a_9_1.F... Compiling OFFSET_ccsdt_t3a_9_1.F... Compiling acolo.F... Compiling acolo_o.F... Compiling acolo_o_1p.F... Compiling acolo_o_2p.F... Compiling acolo_1p_2h.F... Compiling acolo_2h.F... Compiling acolo_1h.F... Compiling acolo_1p_1h.F... Compiling acolo_2p_1h.F... Compiling acolo_1p.F... Compiling acolo_1a_2h.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsdt_lambda Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_2_1.F... Compiling ccsdt_lambda1_2_2_2.F... Compiling ccsdt_lambda1_2_3.F... Compiling ccsdt_lambda1_2_4.F... Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_1.F... Compiling ccsdt_lambda1_3_2.F... Compiling ccsdt_lambda1_3_3.F... Compiling ccsdt_lambda1_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... Compiling ccsdt_lambda1_5.F... Compiling ccsdt_lambda1_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_1.F... Compiling ccsdt_lambda1_5_2.F... Compiling ccsdt_lambda1_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... Compiling ccsdt_lambda1_5_2_4.F... Compiling ccsdt_lambda1_5_3.F... Compiling ccsdt_lambda1_5_3_1.F... Compiling OFFSET_ccsdt_lambda1_5_3_1.F... Compiling ccsdt_lambda1_5_3_2.F... Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... Compiling ccsdt_lambda1_5_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_5_1.F... Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... Compiling ccsdt_lambda1_5_6_1.F... Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... Compiling ccsdt_lambda1_6_1.F... Compiling OFFSET_ccsdt_lambda1_6_1.F... Compiling ccsdt_lambda1_6_2.F... Compiling ccsdt_lambda1_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... Compiling ccsdt_lambda1_6_2_2_2.F... Compiling ccsdt_lambda1_6_2_3.F... Compiling ccsdt_lambda1_6_3.F... Compiling ccsdt_lambda1_6_3_1.F... Compiling OFFSET_ccsdt_lambda1_6_3_1.F... Compiling ccsdt_lambda1_6_3_2.F... Compiling ccsdt_lambda1_6_4.F... Compiling ccsdt_lambda1_6_4_1.F... Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... Compiling ccsdt_lambda1_6_5_2.F... Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... Compiling ccsdt_lambda1_7.F... Compiling ccsdt_lambda1_7_1.F... Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... Compiling OFFSET_ccsdt_lambda1_8_1.F... Compiling ccsdt_lambda1_8_2.F... Compiling ccsdt_lambda1_8_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_1.F... Compiling ccsdt_lambda1_8_2_2.F... Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_3.F... Compiling ccsdt_lambda1_8_2_3.F... Compiling ccsdt_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... Compiling ccsdt_lambda1_8_2_5.F... Compiling ccsdt_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... Compiling ccsdt_lambda1_8_3.F... Compiling ccsdt_lambda1_8_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_3_1.F... Compiling ccsdt_lambda1_8_3_2.F... Compiling ccsdt_lambda1_8_4.F... Compiling ccsdt_lambda1_8_4_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_1.F... Compiling ccsdt_lambda1_8_4_2.F... Compiling ccsdt_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... Compiling ccsdt_lambda1_8_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_1.F... Compiling ccsdt_lambda1_8_5_2.F... Compiling ccsdt_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... Compiling ccsdt_lambda1_8_6_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_1.F... Compiling ccsdt_lambda1_8_6_2.F... Compiling ccsdt_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_2_1.F... Compiling ccsdt_lambda1_8_6_2_2.F... Compiling ccsdt_lambda1_8_6_3.F... Compiling ccsdt_lambda1_8_7.F... Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... Compiling ccsdt_lambda1_8_7_2.F... Compiling ccsdt_lambda1_8_7_3.F... Compiling ccsdt_lambda1_8_8.F... Compiling ccsdt_lambda1_8_9.F... Compiling ccsdt_lambda1_8_9_1.F... Compiling OFFSET_ccsdt_lambda1_8_9_1.F... Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... Compiling ccsdt_lambda1_8_10_1.F... Compiling OFFSET_ccsdt_lambda1_8_10_1.F... Compiling ccsdt_lambda1_8_10_2.F... Compiling ccsdt_lambda1_8_11.F... Compiling ccsdt_lambda1_8_12.F... Compiling ccsdt_lambda1_8_12_1.F... Compiling OFFSET_ccsdt_lambda1_8_12_1.F... Compiling ccsdt_lambda1_8_12_2.F... Compiling ccsdt_lambda1_8_12_3.F... Compiling ccsdt_lambda1_8_13.F... Compiling ccsdt_lambda1_8_13_1.F... Compiling OFFSET_ccsdt_lambda1_8_13_1.F... Compiling ccsdt_lambda1_8_13_2.F... Compiling ccsdt_lambda1_8_13_3.F... Compiling ccsdt_lambda1_8_14.F... Compiling ccsdt_lambda1_8_14_1.F... Compiling OFFSET_ccsdt_lambda1_8_14_1.F... Compiling ccsdt_lambda1_8_14_2.F... Compiling ccsdt_lambda1_9.F... Compiling ccsdt_lambda1_9_1.F... Compiling OFFSET_ccsdt_lambda1_9_1.F... Compiling ccsdt_lambda1_9_2.F... Compiling ccsdt_lambda1_9_3.F... Compiling ccsdt_lambda1_9_4.F... Compiling ccsdt_lambda1_9_4_1.F... Compiling OFFSET_ccsdt_lambda1_9_4_1.F... Compiling ccsdt_lambda1_9_4_2.F... Compiling ccsdt_lambda1_9_4_3.F... Compiling ccsdt_lambda1_9_5.F... Compiling ccsdt_lambda1_9_5_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_1.F... Compiling ccsdt_lambda1_9_5_2.F... Compiling ccsdt_lambda1_9_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_2_1.F... Compiling ccsdt_lambda1_9_5_2_2.F... Compiling ccsdt_lambda1_9_6.F... Compiling ccsdt_lambda1_9_6_1.F... Compiling OFFSET_ccsdt_lambda1_9_6_1.F... Compiling ccsdt_lambda1_10.F... Compiling ccsdt_lambda1_10_1.F... Compiling OFFSET_ccsdt_lambda1_10_1.F... Compiling ccsdt_lambda1_10_2.F... Compiling ccsdt_lambda1_10_3.F... Compiling ccsdt_lambda1_11.F... Compiling ccsdt_lambda1_11_1.F... Compiling OFFSET_ccsdt_lambda1_11_1.F... Compiling ccsdt_lambda1_11_2.F... Compiling ccsdt_lambda1_11_3.F... Compiling ccsdt_lambda1_12.F... Compiling ccsdt_lambda1_12_1.F... Compiling OFFSET_ccsdt_lambda1_12_1.F... Compiling ccsdt_lambda1_12_2.F... Compiling ccsdt_lambda1_12_3.F... Compiling ccsdt_lambda1_13.F... Compiling ccsdt_lambda1_13_1.F... Compiling OFFSET_ccsdt_lambda1_13_1.F... Compiling ccsdt_lambda1_13_2.F... Compiling ccsdt_lambda1_14.F... Compiling ccsdt_lambda1_14_1.F... Compiling OFFSET_ccsdt_lambda1_14_1.F... Compiling ccsdt_lambda1_14_2.F... Compiling ccsdt_lambda1_14_3.F... Compiling ccsdt_lambda1_14_3_1.F... Compiling OFFSET_ccsdt_lambda1_14_3_1.F... Compiling ccsdt_lambda1_14_3_2.F... Compiling ccsdt_lambda1_14_3_3.F... Compiling ccsdt_lambda1_14_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_14_3_3_1.F... Compiling ccsdt_lambda1_14_3_3_2.F... Compiling ccsdt_lambda1_14_4.F... Compiling ccsdt_lambda1_14_4_1.F... Compiling OFFSET_ccsdt_lambda1_14_4_1.F... Compiling ccsdt_lambda1_14_5.F... Compiling ccsdt_lambda1_14_5_1.F... Compiling OFFSET_ccsdt_lambda1_14_5_1.F... Compiling ccsdt_lambda1_14_5_2.F... Compiling ccsdt_lambda1_14_6.F... Compiling ccsdt_lambda1_14_6_1.F... Compiling OFFSET_ccsdt_lambda1_14_6_1.F... Compiling ccsdt_lambda1_14_7.F... Compiling ccsdt_lambda1_14_7_1.F... Compiling OFFSET_ccsdt_lambda1_14_7_1.F... Compiling ccsdt_lambda1_14_8.F... Compiling ccsdt_lambda1_14_8_1.F... Compiling OFFSET_ccsdt_lambda1_14_8_1.F... Compiling ccsdt_lambda1_14_8_1_1.F... Compiling OFFSET_ccsdt_lambda1_14_8_1_1.F... Compiling ccsdt_lambda1_14_8_1_2.F... Compiling ccsdt_lambda1_14_9.F... Compiling ccsdt_lambda1_14_9_1.F... Compiling OFFSET_ccsdt_lambda1_14_9_1.F... Compiling ccsdt_lambda1_14_9_1_1.F... Compiling OFFSET_ccsdt_lambda1_14_9_1_1.F... Compiling ccsdt_lambda1_15.F... Compiling ccsdt_lambda1_15_1.F... Compiling OFFSET_ccsdt_lambda1_15_1.F... Compiling ccsdt_lambda1_15_2.F... Compiling ccsdt_lambda1_15_3.F... Compiling ccsdt_lambda1_15_3_1.F... Compiling OFFSET_ccsdt_lambda1_15_3_1.F... Compiling ccsdt_lambda1_15_4.F... Compiling ccsdt_lambda1_15_4_1.F... Compiling OFFSET_ccsdt_lambda1_15_4_1.F... Compiling ccsdt_lambda1_16.F... Compiling ccsdt_lambda1_16_1.F... Compiling OFFSET_ccsdt_lambda1_16_1.F... Compiling ccsdt_lambda1_16_2.F... Compiling ccsdt_lambda1_16_3.F... Compiling ccsdt_lambda1_16_3_1.F... Compiling OFFSET_ccsdt_lambda1_16_3_1.F... Compiling ccsdt_lambda1_16_3_2.F... Compiling ccsdt_lambda1_16_4.F... Compiling ccsdt_lambda1_16_4_1.F... Compiling OFFSET_ccsdt_lambda1_16_4_1.F... Compiling ccsdt_lambda1_17.F... Compiling ccsdt_lambda1_17_1.F... Compiling OFFSET_ccsdt_lambda1_17_1.F... Compiling ccsdt_lambda1_18.F... Compiling ccsdt_lambda1_18_1.F... Compiling OFFSET_ccsdt_lambda1_18_1.F... Compiling ccsdt_lambda1_18_1_1.F... Compiling OFFSET_ccsdt_lambda1_18_1_1.F... Compiling ccsdt_lambda1_18_1_2.F... Compiling ccsdt_lambda1_18_1_3.F... Compiling ccsdt_lambda1_18_1_4.F... Compiling ccsdt_lambda1_18_1_4_1.F... Compiling OFFSET_ccsdt_lambda1_18_1_4_1.F... Compiling ccsdt_lambda1_18_1_4_2.F... Compiling ccsdt_lambda1_18_2.F... Compiling ccsdt_lambda1_18_2_1.F... Compiling OFFSET_ccsdt_lambda1_18_2_1.F... Compiling ccsdt_lambda1_18_2_2.F... Compiling ccsdt_lambda1_18_3.F... Compiling ccsdt_lambda1_18_3_1.F... Compiling OFFSET_ccsdt_lambda1_18_3_1.F... Compiling ccsdt_lambda1_18_3_2.F... Compiling ccsdt_lambda1_18_4.F... Compiling ccsdt_lambda1_18_5.F... Compiling ccsdt_lambda1_18_5_1.F... Compiling OFFSET_ccsdt_lambda1_18_5_1.F... Compiling ccsdt_lambda1_18_6.F... Compiling ccsdt_lambda1_18_6_1.F... Compiling OFFSET_ccsdt_lambda1_18_6_1.F... Compiling ccsdt_lambda1_18_6_1_1.F... Compiling OFFSET_ccsdt_lambda1_18_6_1_1.F... Compiling ccsdt_lambda1_19.F... Compiling ccsdt_lambda1_19_1.F... Compiling OFFSET_ccsdt_lambda1_19_1.F... Compiling ccsdt_lambda1_20.F... Compiling ccsdt_lambda1_20_1.F... Compiling OFFSET_ccsdt_lambda1_20_1.F... Compiling ccsdt_lambda1_20_1_1.F... Compiling OFFSET_ccsdt_lambda1_20_1_1.F... Compiling ccsdt_lambda1_21.F... Compiling ccsdt_lambda1_21_1.F... Compiling OFFSET_ccsdt_lambda1_21_1.F... Compiling ccsdt_lambda1_21_1_1.F... Compiling OFFSET_ccsdt_lambda1_21_1_1.F... Compiling ccsdt_lambda1_21_1_1_1.F... Compiling OFFSET_ccsdt_lambda1_21_1_1_1.F... 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Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in eomccsdt Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... Compiling eomccsdt_y3.F... Compiling eomccsdt_density1.F... Compiling eomccsdt_denominator.F... Compiling eomccsdt_x1a.F... Compiling eomccsdt_x2a.F... Compiling eomccsdt_density1_1_1.F... Compiling eomccsdt_density1_1_2.F... Compiling eomccsdt_density1_1_3.F... Compiling eomccsdt_density1_1.F... Compiling eomccsdt_density1_2_1.F... Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... Compiling eomccsdt_density1_2.F... Compiling eomccsdt_density1_3_1.F... Compiling eomccsdt_density1_3_2.F... Compiling eomccsdt_density1_3_3.F... Compiling eomccsdt_density1_3_4_1.F... Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... Compiling eomccsdt_density1_3_4.F... Compiling eomccsdt_density1_3_5_1.F... Compiling eomccsdt_density1_3_5_2.F... Compiling eomccsdt_density1_3_5.F... Compiling eomccsdt_density1_3_6_1.F... Compiling eomccsdt_density1_3_6.F... Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... Compiling eomccsdt_density1_4_2.F... Compiling eomccsdt_density1_4.F... Compiling eomccsdt_density1_5_10_1.F... Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... Compiling eomccsdt_density1_5_10_2_2_2.F... Compiling eomccsdt_density1_5_10_2_2.F... Compiling eomccsdt_density1_5_10_2.F... Compiling eomccsdt_density1_5_10_3_1.F... Compiling eomccsdt_density1_5_10_3.F... Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... Compiling eomccsdt_density1_5_11.F... Compiling eomccsdt_density1_5_12_1.F... Compiling eomccsdt_density1_5_12.F... Compiling eomccsdt_density1_5_13_1_1.F... Compiling eomccsdt_density1_5_13_1.F... Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... Compiling eomccsdt_density1_5_2.F... Compiling eomccsdt_density1_5_3_1.F... Compiling eomccsdt_density1_5_3_2.F... Compiling eomccsdt_density1_5_3_3.F... Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... Compiling eomccsdt_density1_5_3_4_3.F... Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... Compiling eomccsdt_density1_5_3_5_2.F... Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... Compiling eomccsdt_density1_5_3_6.F... Compiling eomccsdt_density1_5_3.F... Compiling eomccsdt_density1_5_4_1.F... Compiling eomccsdt_density1_5_4_2.F... Compiling eomccsdt_density1_5_4_3.F... Compiling eomccsdt_density1_5_4.F... Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... Compiling eomccsdt_density1_5_6_1.F... Compiling eomccsdt_density1_5_6_2.F... Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... Compiling eomccsdt_density1_5_8_2.F... Compiling eomccsdt_density1_5_8_3.F... Compiling eomccsdt_density1_5_8.F... Compiling eomccsdt_density1_5_9_1.F... Compiling eomccsdt_density1_5_9_2.F... Compiling eomccsdt_density1_5_9.F... Compiling eomccsdt_density1_5.F... Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... Compiling eomccsdt_density1_6_3_1.F... Compiling eomccsdt_density1_6_3_2.F... Compiling eomccsdt_density1_6_3.F... Compiling eomccsdt_density1_6_4_1.F... Compiling eomccsdt_density1_6_4_2.F... Compiling eomccsdt_density1_6_4.F... Compiling eomccsdt_density1_6_5_1.F... Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... Compiling eomccsdt_x2a_all18.F... Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... Compiling eomccsdt_x2a_all9.F... Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... Compiling eomccsdt_x2_all18.F... Compiling eomccsdt_x2_all3.F... Compiling eomccsdt_x2_all6.F... Compiling eomccsdt_x2_all9.F... Compiling eomccsdt_x3a_all12.F... Compiling eomccsdt_x3a_all15.F... Compiling eomccsdt_x3a_all17.F... Compiling eomccsdt_x3a_all3.F... Compiling eomccsdt_x3a_all6.F... Compiling eomccsdt_x3a_all9.F... Compiling eomccsdt_x3a.F... Compiling eomccsdt_x3_all12.F... Compiling eomccsdt_x3_all15.F... Compiling eomccsdt_x3_all17.F... Compiling eomccsdt_x3_all3.F... Compiling eomccsdt_x3_all6.F... Compiling eomccsdt_x3_all9.F... Compiling eomccsdt_x3.F... Compiling eomccsdt_y1_all12.F... Compiling eomccsdt_y1_all15.F... Compiling eomccsdt_y1_all18.F... Compiling eomccsdt_y1_all20.F... Compiling eomccsdt_y1_all3.F... Compiling eomccsdt_y1_all6.F... Compiling eomccsdt_y1_all9.F... Compiling eomccsdt_y1.F... Compiling eomccsdt_y2_all12.F... Compiling eomccsdt_y2_all15.F... Compiling eomccsdt_y2_all18.F... Compiling eomccsdt_y2_all21.F... Compiling eomccsdt_y2_all24.F... Compiling eomccsdt_y2_all25.F... Compiling eomccsdt_y2_all3.F... Compiling eomccsdt_y2_all6.F... Compiling eomccsdt_y2_all9.F... Compiling eomccsdt_y2.F... Compiling OFFSET_eomccsdt_1.F... Compiling OFFSET_eomccsdt_2.F... Compiling OFFSET_eomccsdt_3.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsd_alpha Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... Compiling alpha_1_1_3_1.F... Compiling alpha_1_1_3_2.F... Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... Compiling alpha_1_1_5.F... Compiling alpha_1_1_6_1.F... Compiling alpha_1_1_6.F... Compiling alpha_1_1.F... Compiling alpha_1_2_1.F... Compiling alpha_1_2_2.F... Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... Compiling alpha_1_3.F... Compiling alpha_1_4_1.F... Compiling alpha_1_4.F... Compiling alpha_1.F... Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... Compiling alpha_2_2_2_2.F... Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... Compiling alpha_2_3_1_2.F... Compiling alpha_2_3_1_3_1.F... Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... Compiling alpha_2_3_1_4.F... Compiling alpha_2_3_1.F... Compiling alpha_2_3_2_1.F... Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... Compiling alpha_2_3_2_3.F... Compiling alpha_2_3_2_4_1.F... Compiling alpha_2_3_2_4.F... Compiling alpha_2_3_2.F... Compiling alpha_2_3_3_1.F... Compiling alpha_2_3_3.F... Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... Compiling alpha_2_3_5.F... Compiling alpha_2_3_6_1.F... Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... Compiling alpha_2_3_8_1.F... Compiling alpha_2_3_8.F... Compiling alpha_2_3_9_1_1.F... Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... Compiling alpha_2_3_9_2.F... Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... Compiling alpha_2_4.F... Compiling alpha_2_5_10_1_1.F... Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... Compiling alpha_2_5_10_4_1.F... Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... Compiling alpha_2_5_10_5.F... Compiling alpha_2_5_10_6_1.F... Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... Compiling alpha_2_5_10_7.F... Compiling alpha_2_5_10_8_1_1.F... Compiling alpha_2_5_10_8_1.F... Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... Compiling alpha_2_5_1_1.F... Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... Compiling alpha_2_5_12_1.F... Compiling alpha_2_5_1_2.F... Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_1_3_1.F... Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... Compiling alpha_2_5_13.F... Compiling alpha_2_5_14_1_1.F... Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... Compiling alpha_2_5_4_2.F... Compiling alpha_2_5_4.F... Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5_2.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... Compiling alpha_2_5_9.F... Compiling alpha_2_5.F... Compiling alpha_2_6_1_1.F... Compiling alpha_2_6_1.F... Compiling alpha_2_6.F... Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... Compiling alpha_2_7_1_2.F... Compiling alpha_2_7_1.F... Compiling alpha_2_7_2_1.F... Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... Compiling alpha_2_7_3.F... Compiling alpha_2_7_4_1.F... Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... Compiling alpha_2_7_5.F... Compiling alpha_2_7_6_1.F... Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... Compiling alpha_2_7_7_1.F... Compiling alpha_2_7_7.F... Compiling alpha_2_7.F... Compiling alpha_2_8_1_1.F... Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... Compiling alpha_2_8_4_1_2_1.F... Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... Compiling alpha_2_8_4_2.F... Compiling alpha_2_8_4_3_1.F... Compiling alpha_2_8_4_3_2_1.F... Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... Compiling alpha_2_8_4_5_1.F... Compiling alpha_2_8_4_5.F... Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... Compiling alpha_2_8_5_2.F... Compiling alpha_2_8_5.F... Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... Compiling alpha_2_8_6_4.F... Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... Compiling alpha_2_8_7_1.F... Compiling alpha_2_8_7.F... Compiling alpha_2_8_8_1_1.F... Compiling alpha_2_8_8_1.F... Compiling alpha_2_8_8.F... Compiling alpha_2_8.F... Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... Compiling dip_r_1.F... Compiling dip_r_2.F... Compiling dip_r.F... Compiling offset_alpha_1_1_1.F... Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... Compiling offset_alpha_2_1_1.F... Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... Compiling offset_alpha_2_3_1_4_1.F... Compiling offset_alpha_2_3_1.F... Compiling offset_alpha_2_3_2_1.F... Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... Compiling offset_alpha_2_3_3_1.F... Compiling offset_alpha_2_3_4_1.F... Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... Compiling offset_alpha_2_3_8_1.F... Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... Compiling offset_alpha_2_5_10_2_1.F... Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... Compiling offset_alpha_2_5_10_5_1.F... Compiling offset_alpha_2_5_10_6_1.F... Compiling offset_alpha_2_5_10_7_1.F... Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... Compiling offset_alpha_2_5_11_1_1.F... Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... Compiling offset_alpha_2_5_12_1.F... Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... Compiling offset_alpha_2_5_14_1_1.F... Compiling offset_alpha_2_5_14_1.F... Compiling offset_alpha_2_5_14_2_1.F... Compiling offset_alpha_2_5_1.F... Compiling offset_alpha_2_5_2_1.F... Compiling offset_alpha_2_5_3_1.F... Compiling offset_alpha_2_5_4_1.F... Compiling offset_alpha_2_5_4_2_1.F... Compiling offset_alpha_2_5_5_1.F... Compiling offset_alpha_2_5_6_1.F... Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... Compiling offset_alpha_2_6_1_1.F... Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... Compiling offset_alpha_2_7_2_1.F... Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_4_1.F... Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... Compiling offset_alpha_2_7_7_1.F... Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... Compiling offset_alpha_2_8_4_4_1.F... Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... Compiling offset_alpha_2_8_5_1_1.F... Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... Compiling offset_alpha_2_8_6_1_1.F... Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... Compiling offset_alpha_2_8_8_1.F... Compiling offset_dip_r_1_1.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsd_beta Compiling beta_1_all.F... Compiling beta_2_all.F... Compiling beta_3_all.F... Compiling beta_4_all.F... Compiling beta_all_offsets.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsd_yr Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... Compiling ccsd_yr2.F... Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... Compiling alpha_2_yr.F... Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... Compiling ccsd_lr_d1_hp.F... Compiling ccsd_lr_d1_pp.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in response Compiling ccsd_o1.F... Compiling ccsd_o2.F... Compiling eomccsd_o1.F... Compiling eomccsd_o2.F... Compiling ccsdt_o1.F... Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... Compiling ccsdtq_o3.F... Compiling ccsdtq_o4.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in mrcc Compiling tce_mrcc_input.F... Compiling tce_mrcc_energy.F... Compiling tce_mrcc_readref.F... Compiling tce_mrcc_calcexcit.F... Compiling tce_mrcc_sortint.F... Compiling tce_mrcc_tile.F... tce_mrcc_tile.F:671:0: oatiles(1)=nblocks_a Warning: 'nblocks_a' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mrcc_tile.F:45:0: integer nblocks_a,nblocks_ia note: 'nblocks_a' was declared here Compiling tce_mrcc_macpy.F... Compiling tce_mrcc_fillindexarray.F... Compiling tce_mrcc_uhf.F... Compiling create_mr_evl_sorted.F... Compiling pgcreatefile.F... Compiling tce_mrcc_mo2e.F... Compiling tce_mrcc_ao2e.F... Compiling tce_subnxtask.F... tce_subnxtask.F:85:0: end Warning: '__result_nxtasksub' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_subnxtask.F:1:0: integer function nxtasksub(nproc,ichunk,p_handle) note: '__result_nxtasksub' was declared here Compiling tce_mrcc_sublock.c... Compiling eaf_mrcc.F... Compiling tce_t3ac_offset.F... Compiling tce_t4ac_offset.F... Compiling tce_mrcc_refs_sym.F... Compiling tce_mrcc_force_orben.F... Compiling tce_mrcc_diis_init.F... Compiling tce_mrcc_heff.F... tce_mrcc_heff.F:1723:0: if(limprovet)count = count + 1 Warning: 'count' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling tce_mrcc_diis.F... Compiling tce_mrcc_jacobi_t1.F... Compiling tce_mrcc_jacobi_t2.F... Compiling tce_mrcc_gacp.F... Compiling tce_mrcc_daxfile.F... Compiling tce_mrcc_diis_tidy.F... Compiling tce_jacobi_sub_t1.F... Compiling tce_jacobi_sub_t2.F... Compiling tce_mrcc_c1.F... Compiling tce_mrcc_c1_offset.F... Compiling tce_mrcc_c2.F... Compiling tce_mrcc_c2_offset.F... Compiling tce_mrcc_mul_1.F... Compiling tce_mrcc_mul_2.F... Compiling tce_mrcc_diis_save.F... Compiling tce_mrcc_diis_new.F... Compiling tce_mrcc_create_cas1.F... tce_mrcc_create_cas1.F:24:0: integer id,ia,ib Warning: 'id' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:0: Warning: 'ib' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:109:0: if(k.le.(id+ia)) iacounts(k) = 1 Warning: 'ia' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:0: integer id,ia,ib note: 'ia' was declared here Compiling atpart_nalength_mrcc.F... Compiling new_ga4ind_N5uhf_mrcc_lm2.F... Making all in include Making all in ccsd Compiling mr_ccsd_e.F... Compiling mr_ccsd_t1.F... Compiling mr_ccsd_t2.F... Compiling mr_ccsd_dcl.F... Compiling T2_C2_1.F... Compiling T2_C2.F... Compiling T2_pg_C2_1.F... Compiling T2_pg_C2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsd_sub Compiling ccsd_st1.F... Compiling ccsd_st2.F... Compiling ccsd_se.F... Compiling ccsd_dcl_sub.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in ccsd_t Compiling tce_mrcc_q3vnt1.F... Compiling tce_mrcc_q3vnt2.F... Compiling tce_mrcc_q3fnt2.F... Compiling tce_mrcc_ccsdpt.F... Compiling tce_mrcc_ccsdpt_subg.F... Compiling tce_mrcc_q3vnt1_subg.F... Compiling tce_mrcc_q3fnt2_subg.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making all in uss Compiling tce_uss_offdiagonal_1.F... tce_uss_offdiagonal_1.F:461:0: if(ioff2.ne.ioff) then Warning: 'ioff' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_uss_offdiagonal_1.F:38:0: integer sizenew,ihashold,ioff,sizenew1,ioff1,ioff2 note: 'ioff' was declared here Compiling tce_uss_offdiagonal_2.F... tce_uss_offdiagonal_2.F:506:0: if(ioff2.ne.ioff) then Warning: 'ioff' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_uss_offdiagonal_2.F:42:0: integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 note: 'ioff' was declared here Compiling tce_uss_offdiagonal_3.F... tce_uss_offdiagonal_3.F:554:0: if(ioff2.ne.ioff) then Warning: 'ioff' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_uss_offdiagonal_3.F:57:0: integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 note: 'ioff' was declared here Compiling tce_uss_offdiagonal_4.F... tce_uss_offdiagonal_4.F:80:0: &b,t_h2b,t_h3b,t_h4b,t_p5b,t_p6b,t_p7b,t_p8b,1) Warning: 'k_r4a' is used uninitialized in this function [-Wuninitialized] tce_uss_offdiagonal_4.F:550:0: if(ioff2.ne.ioff) then Warning: 'ioff' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_uss_offdiagonal_4.F:49:0: integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 note: 'ioff' was declared here Compiling ccsd_r3.F... Compiling ccsd_r4.F... Compiling tce_uss_aux.F... Compiling tce_uss_T1_R1.F... Compiling tce_uss_T2_R2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Got lock on /build/nwchem-6.8.1/lib/LINUX64/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o echo /build/nwchem-6.8.1/lib/LINUX64/libtce.a /build/nwchem-6.8.1/lib/LINUX64/libtce.a Making libraries in bq Making libraries in mm Compiling mm_input.F... Compiling mm_data.F... Compiling mm_coords.F... Compiling mm_vdw.F... Compiling mm_bond.F... mm_bond.F:1708:61: dflim = cos(phas(n))*kphi(n)*(peri(n)-gmul(inc)+gmul(inc)*cphi) 1 Warning: Legacy Extension: REAL array index at (1) mm_bond.F:1708:51: dflim = cos(phas(n))*kphi(n)*(peri(n)-gmul(inc)+gmul(inc)*cphi) 1 Warning: Legacy Extension: REAL array index at (1) mm_bond.F:1805:72: & dbl_mb(i_phas),edih) 1 Warning: Type mismatch in argument 'nbtot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling mm_bond_coords.F... Compiling mm_link.F... Compiling mm_geom.F... Compiling mm_vdw_coords.F... Compiling mm_bq.F... Compiling mm_neb.F... Compiling mm_cons.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libmm.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libmm.a echo /build/nwchem-6.8.1/lib/LINUX64/libmm.a /build/nwchem-6.8.1/lib/LINUX64/libmm.a Making libraries in cons Making libraries in perfm make[4]: '/build/nwchem-6.8.1/lib/LINUX64/libperfm.a' is up to date. Making libraries in dntmc Compiling dntmc_input.F... Compiling dntmc_setgeom.F... Compiling gibbs.F... gibbs.F:4667:0: hold = NUMBERSUM(1,J) Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] gibbs.F:1914:0: IF((CONT2 .eq. 0).or.(new_markov_chain)) then Warning: 'new_markov_chain' may be used uninitialized in this function [-Wmaybe-uninitialized] Got lock on /build/nwchem-6.8.1/lib/LINUX64/libdntmc.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libdntmc.a echo /build/nwchem-6.8.1/lib/LINUX64/libdntmc.a /build/nwchem-6.8.1/lib/LINUX64/libdntmc.a Making libraries in dangchang Compiling dc_initialize.F... Compiling dc_setgeom.F... Compiling dc_energy.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libdangchang.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libdangchang.a echo /build/nwchem-6.8.1/lib/LINUX64/libdangchang.a /build/nwchem-6.8.1/lib/LINUX64/libdangchang.a Making libraries in ccca Compiling task_ccca.F... Compiling ccca_utils.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libccca.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libccca.a task_ccca.o ccca_utils.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libccca.a echo /build/nwchem-6.8.1/lib/LINUX64/libccca.a /build/nwchem-6.8.1/lib/LINUX64/libccca.a Making libraries in dimqm Compiling dimqm_input.F... Compiling dimpar_input.F... Compiling dimqm_prep.F... Compiling dimqm_main.F... Compiling dimqm_polarizability.F... Compiling dimqm_f2d.F... Compiling dimqm_iterative.F... Compiling qmr_real.F... Compiling qmr_complex.F... Compiling matvecReal.F... Compiling matvecComplex.F... Compiling dimqm_EqmE.F... Compiling t2.F... Compiling pphilo.F... Compiling dimqm_fldpot.F... Compiling dimqm_EqmN.F... Compiling dimqm_printAtomicDipoles.F... Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... Compiling dimqm_indDipoles.F... Compiling dimqm_printAtoms.F... Compiling dimqm_addop.F... Compiling dimqm_lclfld.F... Compiling seeded_qmr_real.F... Compiling qmr_seed_real.F... Compiling seeded_qmr_real_augment.F... Compiling dimqm_tidy.F... Compiling qmr_seed_complex.F... Compiling seeded_qmr_complex.F... Compiling dimqm_broadcast.F... Compiling CubicSpline.F... Compiling dim_fock_xc.F... Compiling dim_getv.F... Compiling dim_tabcd.F... Compiling dim_eval_fnl.F... Compiling dim_grid_quadv0.F... dim_grid_quadv0.F:7:37: call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... Compiling dimqm_rohf.F... Compiling dimqm_util.F... Compiling dimqm_addop_uhf.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/libdimqm.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/libdimqm.a echo /build/nwchem-6.8.1/lib/LINUX64/libdimqm.a /build/nwchem-6.8.1/lib/LINUX64/libdimqm.a Making libraries in 64to32blas Compiling yscal.F... Compiling ycopy.F... Compiling ydot.F... Compiling ygemm.F... Compiling ygemv.F... Compiling iyamax.F... Compiling ygesv.F... Compiling ygesvd.F... Compiling yaxpy.F... Compiling yspsvx.F... Compiling yposv.F... Compiling ysyev.F... Compiling yger.F... Compiling yrot.F... Compiling ylaset.F... Compiling yswap.F... Compiling ygebak.F... Compiling ygebal.F... Compiling ynrm2.F... Compiling ylacpy.F... Compiling ylascl.F... Compiling ylange.F... Compiling ytrevc.F... Compiling yhseqr.F... Compiling yorghr.F... Compiling ygehrd.F... Compiling ysterf.F... Compiling ylarnv.F... Compiling ylagtf.F... Compiling ylagts.F... Compiling yasum.F... Compiling ypotri.f... Compiling ypotrf.f... Compiling ysygv.F... Compiling ygeev.F... Compiling ygeevx.F... Compiling ifily.F... Compiling jscal.F... Compiling jaxpy.F... Compiling jgemm.F... Compiling jheev.F... Compiling jcopy.F... Compiling jdotc.F... Compiling ijamax.F... Compiling jgesvd.F... Got lock on /build/nwchem-6.8.1/lib/LINUX64/lib64to32.lock ar rU /build/nwchem-6.8.1/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o ar: creating /build/nwchem-6.8.1/lib/LINUX64/lib64to32.a echo /build/nwchem-6.8.1/lib/LINUX64/lib64to32.a /build/nwchem-6.8.1/lib/LINUX64/lib64to32.a make nwchem.o stubs.o gfortran -g -O2 -ffast-math -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -ffast-math -Warray-bounds -fdefault-integer-8 -fno-tree-dominator-opts -finline-functions -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/build/nwchem-6.8.1/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DLINUX -DGFORTRAN -DGCC46 -DMPICH_NO_ATTR_TYPE_TAGS -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/nwchem-6.8.1'" -DNWCHEM_BRANCH="'Development'" -c -o nwchem.o nwchem.F gfortran -g -O2 -ffast-math -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -ffast-math -Warray-bounds -fdefault-integer-8 -fno-tree-dominator-opts -finline-functions -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/build/nwchem-6.8.1/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DLINUX -DGFORTRAN -DGCC46 -DMPICH_NO_ATTR_TYPE_TAGS -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/nwchem-6.8.1'" -DNWCHEM_BRANCH="'Development'" -c -o stubs.o stubs.F gfortran -Wl,--export-dynamic -L/build/nwchem-6.8.1/lib/LINUX64 -L/usr/lib -L/usr/lib/x86_64-linux-gnu/openmpi/lib -o /build/nwchem-6.8.1/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil /usr/lib/python2.7/config-x86_64-linux-gnu/libpython2.7.a -lscalapack-openmpi -l64to32 -lblas -llapack "-llapack" "-lblas" -L/usr/lib -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -L/usr/lib -larmci -lpthread -lpython2.7 -lpthread -ldl -lutil -lm -lz -lnwcutil -lnwcutil -lpython2.7 -lpthread -ldl -lutil -lm /usr/bin/ld: /usr/lib/python2.7/config-x86_64-linux-gnu/libpython2.7.a(posixmodule.o): in function `posix_tmpnam': (.text.unlikely+0x1344): warning: the use of `tmpnam_r' is dangerous, better use `mkstemp' /usr/bin/ld: /usr/lib/python2.7/config-x86_64-linux-gnu/libpython2.7.a(posixmodule.o): in function `posix_tempnam': (.text.unlikely+0x1248): warning: the use of `tempnam' is dangerous, better use `mkstemp' /bin/rm -f nwchem.o stubs.o all is built make[2]: Leaving directory '/build/nwchem-6.8.1/src' (cd /build/nwchem-6.8.1/src/util && make) make[2]: Entering directory '/build/nwchem-6.8.1/src/util' make[3]: '/build/nwchem-6.8.1/lib/LINUX64/libnwcutil.a' is up to date. Making all in md5 make[2]: Leaving directory '/build/nwchem-6.8.1/src/util' (cd /build/nwchem-6.8.1/src && make link) make[2]: Entering directory '/build/nwchem-6.8.1/src' make nwchem.o stubs.o gfortran -g -O2 -ffast-math -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -ffast-math -Warray-bounds -fdefault-integer-8 -fno-tree-dominator-opts -finline-functions -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/build/nwchem-6.8.1/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DLINUX -DGFORTRAN -DGCC46 -DMPICH_NO_ATTR_TYPE_TAGS -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/nwchem-6.8.1'" -DNWCHEM_BRANCH="'Development'" -c -o nwchem.o nwchem.F gfortran -g -O2 -ffast-math -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -ffast-math -Warray-bounds -fdefault-integer-8 -fno-tree-dominator-opts -finline-functions -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/build/nwchem-6.8.1/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DLINUX -DGFORTRAN -DGCC46 -DMPICH_NO_ATTR_TYPE_TAGS -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/nwchem-6.8.1'" -DNWCHEM_BRANCH="'Development'" -c -o stubs.o stubs.F gfortran -Wl,--export-dynamic -L/build/nwchem-6.8.1/lib/LINUX64 -L/usr/lib -L/usr/lib/x86_64-linux-gnu/openmpi/lib -o /build/nwchem-6.8.1/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil /usr/lib/python2.7/config-x86_64-linux-gnu/libpython2.7.a -lscalapack-openmpi -l64to32 -lblas -llapack "-llapack" "-lblas" -L/usr/lib -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -L/usr/lib -larmci -lpthread -lpython2.7 -lpthread -ldl -lutil -lm -lz -lnwcutil -lnwcutil -lpython2.7 -lpthread -ldl -lutil -lm /usr/bin/ld: /usr/lib/python2.7/config-x86_64-linux-gnu/libpython2.7.a(posixmodule.o): in function `posix_tmpnam': (.text.unlikely+0x1344): warning: the use of `tmpnam_r' is dangerous, better use `mkstemp' /usr/bin/ld: /usr/lib/python2.7/config-x86_64-linux-gnu/libpython2.7.a(posixmodule.o): in function `posix_tempnam': (.text.unlikely+0x1248): warning: the use of `tempnam' is dangerous, better use `mkstemp' link is built make[2]: Leaving directory '/build/nwchem-6.8.1/src' (cd /build/nwchem-6.8.1/src && make 32_to_64) make[2]: Entering directory '/build/nwchem-6.8.1/src' test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/nwchem-6.8.1/lib/LINUX64 || mkdir -p /build/nwchem-6.8.1/lib/LINUX64 test -d /build/nwchem-6.8.1/bin/LINUX64 || mkdir -p /build/nwchem-6.8.1/bin/LINUX64 ./util/util_nwchem_version.bash rm -f 64_to_32 for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm 64to32blas; do \ make -C $dir 32_to_64 || exit 1 ; \ done Nothing to be done /build/nwchem-6.8.1/src/config/32_to_64 bas_blas.F bas_blasP.F basis.F converting bas_blas.F back to 8-byte integer blas calls [1] 39726 converting bas_blasP.F back to 8-byte integer blas calls [2] 39727 converting basis.F back to 8-byte integer blas calls [3] 39728 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F converting geom.F back to 8-byte integer blas calls [1] 40097 converting geom_input.F back to 8-byte integer blas calls [2] 40098 converting geom_print_ecce.F back to 8-byte integer blas calls [3] 40099 converting geom_hnd.F back to 8-byte integer blas calls [4] 40100 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting geom_3d.F back to 8-byte integer blas calls [1] 40101 converting geom_getsym.F back to 8-byte integer blas calls [2] 40102 converting geom_2d.F back to 8-byte integer blas calls [3] 40103 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary Making 32_to_64 in hdbm 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 task_num_grad.F task_bsse.F converting task_num_grad.F back to 8-byte integer blas calls [1] 42304 converting task_bsse.F back to 8-byte integer blas calls [2] 42305 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F back to 8-byte integer blas calls [1] 42682 converting sym_g_sym.F back to 8-byte integer blas calls [2] 42683 converting sym_geom_prj.F back to 8-byte integer blas calls [3] 42684 converting sym_mo_adapt.F back to 8-byte integer blas calls [4] 42685 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_op_clsfy.F back to 8-byte integer blas calls [1] 42686 converting sym_op_mtab.F back to 8-byte integer blas calls [2] 42687 converting sym_put_geom.F back to 8-byte integer blas calls [3] 42688 converting dosymops.F back to 8-byte integer blas calls [4] 42689 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_abelian.F back to 8-byte integer blas calls [1] 42690 converting sym_bs_ir_id.F back to 8-byte integer blas calls [2] 42691 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in md5 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F dfill.F ga_lkain_2cpl3_ext.F ga_it2.F converting util.fh back to 8-byte integer blas calls [1] 43448 converting ga_it_lsolve.F back to 8-byte integer blas calls [2] 43449 converting ga_maxelt.F back to 8-byte integer blas calls [3] 43450 converting ga_mix.F back to 8-byte integer blas calls [4] 43451 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ga_iter_diag.F back to 8-byte integer blas calls [1] 43452 converting ga_orthog.F back to 8-byte integer blas calls [2] 43453 converting dabsmax.F back to 8-byte integer blas calls [3] 43454 converting ga_normf.F back to 8-byte integer blas calls [4] 43455 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting corr_mk_ref.F back to 8-byte integer blas calls [1] 43456 converting ga_it2.F back to 8-byte integer blas calls [2] 43457 converting ga_lkain_ext.F back to 8-byte integer blas calls [3] 43458 converting util_file_name.F back to 8-byte integer blas calls [4] 43459 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dgefa.f back to 8-byte integer blas calls [1] 43460 converting util_patch_test.F back to 8-byte integer blas calls [2] 43461 converting stpr_sjacobi.F back to 8-byte integer blas calls [3] 43462 converting util_dgeev.F back to 8-byte integer blas calls [4] 43463 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting util_test_cholesky.F back to 8-byte integer blas calls [1] 43464 converting dfill.F back to 8-byte integer blas calls [2] 43465 converting ga_lkain_2cpl3_ext.F back to 8-byte integer blas calls [3] 43466 converting ga_it2.F back to 8-byte integer blas calls [4] 43467 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) (cd ./src/c; make 32_to_64) /build/nwchem-6.8.1/src/config/32_to_64 "*c *f *F" converting b_ortho.c back to 8-byte integer blas calls [1] 45621 converting chol_bcst.c back to 8-byte integer blas calls [2] 45622 converting choleski9.c back to 8-byte integer blas calls [3] 45623 converting ci_entry.c back to 8-byte integer blas calls [4] 45624 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrf3.c back to 8-byte integer blas calls [1] 45638 converting clustrf4.c back to 8-byte integer blas calls [2] 45639 converting clustrf5.c back to 8-byte integer blas calls [3] 45640 converting clustrfix.c back to 8-byte integer blas calls [4] 45641 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrxx3.c back to 8-byte integer blas calls [1] 45646 converting clustrxx30.c back to 8-byte integer blas calls [2] 45647 converting clustrxx31.c back to 8-byte integer blas calls [3] 45648 converting clustrxx33.c back to 8-byte integer blas calls [4] 45649 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrxx4.c back to 8-byte integer blas calls [1] 45650 converting clustrxx5.c back to 8-byte integer blas calls [2] 45651 converting clustrxx99.c back to 8-byte integer blas calls [3] 45652 converting conjug22.c back to 8-byte integer blas calls [4] 45653 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting de_sym.c back to 8-byte integer blas calls [1] 45654 converting exit.c back to 8-byte integer blas calls [2] 45655 converting exit2.c back to 8-byte integer blas calls [3] 45656 converting forLL.c back to 8-byte integer blas calls [4] 45657 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting forLU.c back to 8-byte integer blas calls [1] 45658 converting gmax.c back to 8-byte integer blas calls [2] 45659 converting inv_it3.c back to 8-byte integer blas calls [3] 45660 converting inv_it4.c back to 8-byte integer blas calls [4] 45661 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting inv_it44.c back to 8-byte integer blas calls [1] 45662 converting inv_it5.c back to 8-byte integer blas calls [2] 45663 converting inv_it6.c back to 8-byte integer blas calls [3] 45664 converting inverse.c back to 8-byte integer blas calls [4] 45665 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lu_mxm2.c back to 8-byte integer blas calls [1] 45666 converting mapchk.c back to 8-byte integer blas calls [2] 45667 converting mapdif.c back to 8-byte integer blas calls [3] 45668 converting mapdif1.c back to 8-byte integer blas calls [4] 45669 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting matmax.c back to 8-byte integer blas calls [1] 45670 converting mdif2b.c back to 8-byte integer blas calls [2] 45671 converting mdiff1.c back to 8-byte integer blas calls [3] 45672 converting mdiff2.c back to 8-byte integer blas calls [4] 45673 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting memreq.c back to 8-byte integer blas calls [1] 45674 converting memreq2.c back to 8-byte integer blas calls [2] 45675 converting memreq_eval.c back to 8-byte integer blas calls [3] 45676 converting memreq_f.c back to 8-byte integer blas calls [4] 45677 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mgs4.c back to 8-byte integer blas calls [1] 45678 converting mgs5.c back to 8-byte integer blas calls [2] 45679 converting mgscs.c back to 8-byte integer blas calls [3] 45680 converting mxm25.c back to 8-byte integer blas calls [4] 45681 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mxm5x.c back to 8-byte integer blas calls [1] 45682 converting mxm88.c back to 8-byte integer blas calls [2] 45683 converting mxm_ll1.c back to 8-byte integer blas calls [3] 45684 converting onenorm.c back to 8-byte integer blas calls [4] 45685 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ortho.c back to 8-byte integer blas calls [1] 45686 converting ortho2.c back to 8-byte integer blas calls [2] 45687 converting pdcomplex.c back to 8-byte integer blas calls [3] 45688 converting pdiff.c back to 8-byte integer blas calls [4] 45689 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspev_c.c back to 8-byte integer blas calls [1] 45690 converting pdspeval.c back to 8-byte integer blas calls [2] 45691 converting pdspevx.c back to 8-byte integer blas calls [3] 45692 converting pdspgv_c.c back to 8-byte integer blas calls [4] 45693 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspgvx.c back to 8-byte integer blas calls [1] 45696 converting pdsptri.c back to 8-byte integer blas calls [2] 45697 converting pdsptri2.c back to 8-byte integer blas calls [3] 45698 converting peigs_dlasq1.c back to 8-byte integer blas calls [4] 45699 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_tldlfact.c back to 8-byte integer blas calls [1] 45700 converting pgexit.c back to 8-byte integer blas calls [2] 45701 converting pipe_fut.c back to 8-byte integer blas calls [3] 45702 converting pmmLSL.c back to 8-byte integer blas calls [4] 45703 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pmmLUL.c back to 8-byte integer blas calls [1] 45704 converting pmmlsl2.c back to 8-byte integer blas calls [2] 45705 converting pscale.c back to 8-byte integer blas calls [3] 45706 converting pstebz10.c back to 8-byte integer blas calls [4] 45707 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pstebz11.c back to 8-byte integer blas calls [1] 45710 converting pstebz9.c back to 8-byte integer blas calls [2] 45711 converting pstein3.c back to 8-byte integer blas calls [3] 45712 converting pstein4.c back to 8-byte integer blas calls [4] 45713 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pstein44.c back to 8-byte integer blas calls [1] 45715 converting pstein5.c back to 8-byte integer blas calls [2] 45716 converting pxerbla.c back to 8-byte integer blas calls [3] 45717 converting qsort.c back to 8-byte integer blas calls [4] 45718 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting r_ritz.c back to 8-byte integer blas calls [1] 45719 converting reducemap.c back to 8-byte integer blas calls [2] 45720 converting resid.c back to 8-byte integer blas calls [3] 45721 converting residual.c back to 8-byte integer blas calls [4] 45722 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sfnorm.c back to 8-byte integer blas calls [1] 45723 converting shellsort.c back to 8-byte integer blas calls [2] 45724 converting soluf.c back to 8-byte integer blas calls [3] 45725 converting sonenorm.c back to 8-byte integer blas calls [4] 45726 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting soort.c back to 8-byte integer blas calls [1] 45727 converting sort.c back to 8-byte integer blas calls [2] 45728 converting sorteig.c back to 8-byte integer blas calls [3] 45729 converting tred22.c back to 8-byte integer blas calls [4] 45730 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting treesort3.c back to 8-byte integer blas calls [1] 45731 converting tresid.c back to 8-byte integer blas calls [2] 45732 converting util.c back to 8-byte integer blas calls [3] 45733 converting xerbla.c back to 8-byte integer blas calls [4] 45734 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_cmod.f back to 8-byte integer blas calls [1] 45735 converting gdot.F back to 8-byte integer blas calls [2] 45736 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) (cd ./src/f77; make 32_to_64) /build/nwchem-6.8.1/src/config/32_to_64 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f dspevx2.F converting types.f back to 8-byte integer blas calls [1] 46737 converting inverm.F back to 8-byte integer blas calls [2] 46738 converting dgetavec.F back to 8-byte integer blas calls [3] 46739 converting dgetavec2.f back to 8-byte integer blas calls [4] 46740 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dgetavec3.f back to 8-byte integer blas calls [1] 46741 converting dgetavec4.F back to 8-byte integer blas calls [2] 46742 converting dptsvx2.f back to 8-byte integer blas calls [3] 46743 converting dspevx2.F back to 8-byte integer blas calls [4] 46744 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) (cd ./comm; make 32_to_64) /build/nwchem-6.8.1/src/config/32_to_64 "*c *f *F" converting maxx.F back to 8-byte integer blas calls [1] 47747 converting mxbrod.F back to 8-byte integer blas calls [2] 47748 converting mxcombv1.F back to 8-byte integer blas calls [3] 47749 converting mxsubs.F back to 8-byte integer blas calls [4] 47750 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_dgop.F back to 8-byte integer blas calls [1] 47751 converting sum.F back to 8-byte integer blas calls [2] 47752 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) (cd ./ctof; make 32_to_64) /build/nwchem-6.8.1/src/config/32_to_64 "*c *f *F" converting bortho_f.c back to 8-byte integer blas calls [1] 48754 converting choleski_f.c back to 8-byte integer blas calls [2] 48755 converting inverse_f.c back to 8-byte integer blas calls [3] 48756 converting mxm25_f.c back to 8-byte integer blas calls [4] 48757 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mxm5x_f.c back to 8-byte integer blas calls [1] 48758 converting mxm88_f.c back to 8-byte integer blas calls [2] 48759 converting onenorm_f.c back to 8-byte integer blas calls [3] 48760 converting ortho_f.c back to 8-byte integer blas calls [4] 48761 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspev_f.c back to 8-byte integer blas calls [1] 48762 converting pdspevx_f.c back to 8-byte integer blas calls [2] 48763 converting pdspgv_f.c back to 8-byte integer blas calls [3] 48764 converting pdspgvx_f.c back to 8-byte integer blas calls [4] 48765 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdsptri_f.c back to 8-byte integer blas calls [1] 48766 converting resid_f.c back to 8-byte integer blas calls [2] 48767 converting residual_f.c back to 8-byte integer blas calls [3] 48768 converting sonenorm_f.c back to 8-byte integer blas calls [4] 48769 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tresid_f.c back to 8-byte integer blas calls [1] 48770 [1] Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 bq_input.F converting bq_input.F back to 8-byte integer blas calls [1] 49500 [1] Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary Making 32_to_64 in api /build/nwchem-6.8.1/src/config/32_to_64 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F back to 8-byte integer blas calls [1] 50600 converting int_hf1sp.F back to 8-byte integer blas calls [2] 50601 converting int_lgen1e.F back to 8-byte integer blas calls [3] 50602 converting intb_2e4c.F back to 8-byte integer blas calls [4] 50603 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intbd_2e4c.F back to 8-byte integer blas calls [1] 50604 converting intd_1e3ov.F back to 8-byte integer blas calls [2] 50605 converting intd_1eh1.F back to 8-byte integer blas calls [3] 50606 converting intd_2e2c.F back to 8-byte integer blas calls [4] 50607 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intd_2e4c.F back to 8-byte integer blas calls [1] 50608 converting intd_mpolel.F back to 8-byte integer blas calls [2] 50609 converting intp_txyz.F back to 8-byte integer blas calls [3] 50610 converting intpd_mpolel.F back to 8-byte integer blas calls [4] 50611 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intbdd_2e4c.F back to 8-byte integer blas calls [1] 50612 converting int_2e4c.F back to 8-byte integer blas calls [2] 50613 converting intdd_2e2c.F back to 8-byte integer blas calls [3] 50614 converting intdd_2e3c.F back to 8-byte integer blas calls [4] 50615 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intd_2e3c.F back to 8-byte integer blas calls [1] 50616 converting intdd_2e4c.F back to 8-byte integer blas calls [2] 50617 converting intd_1epot.F back to 8-byte integer blas calls [3] 50618 converting intd_1epot_cosmo.F back to 8-byte integer blas calls [4] 50619 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intpd_1eov.F back to 8-byte integer blas calls [1] 50621 converting intpd_2e3c.F back to 8-byte integer blas calls [2] 50622 converting intpd_1eke.F back to 8-byte integer blas calls [3] 50623 converting intpd_2e2c.F back to 8-byte integer blas calls [4] 50624 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intpd_2e3ct.F back to 8-byte integer blas calls [1] 50625 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in int /build/nwchem-6.8.1/src/config/32_to_64 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f back to 8-byte integer blas calls [1] 50993 converting hfkei.f back to 8-byte integer blas calls [2] 50994 converting hfnai.f back to 8-byte integer blas calls [3] 50995 converting hfnai_er.F back to 8-byte integer blas calls [4] 50996 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2.F back to 8-byte integer blas calls [1] 50997 converting igamma.F back to 8-byte integer blas calls [2] 50998 converting hferi.F back to 8-byte integer blas calls [3] 50999 converting hf1.F back to 8-byte integer blas calls [4] 51000 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf1mke3.f back to 8-byte integer blas calls [1] 51001 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in auxil /build/nwchem-6.8.1/src/config/32_to_64 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F back to 8-byte integer blas calls [1] 51367 converting spherical.F back to 8-byte integer blas calls [2] 51368 converting xlm_norm.F back to 8-byte integer blas calls [3] 51369 converting xlmcoeff.F back to 8-byte integer blas calls [4] 51370 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting int_norm_2c.F back to 8-byte integer blas calls [1] 51373 converting int_spcart2.F back to 8-byte integer blas calls [2] 51374 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ints_sp /build/nwchem-6.8.1/src/config/32_to_64 sp1111.F converting sp1111.F back to 8-byte integer blas calls [1] 51740 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in deriv /build/nwchem-6.8.1/src/config/32_to_64 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f back to 8-byte integer blas calls [1] 52106 converting hf1d.F back to 8-byte integer blas calls [2] 52107 converting hf2PRtoAB.f back to 8-byte integer blas calls [3] 52108 converting hf2QStoCD.f back to 8-byte integer blas calls [4] 52109 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2d.F back to 8-byte integer blas calls [1] 52110 converting hf2d_2a.F back to 8-byte integer blas calls [2] 52111 converting hf2d_2a2b.F back to 8-byte integer blas calls [3] 52112 converting hf2d_2b.F back to 8-byte integer blas calls [4] 52113 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2d_3a.F back to 8-byte integer blas calls [1] 52114 converting hf2d_3a2b.F back to 8-byte integer blas calls [2] 52115 converting hfd3oi.F back to 8-byte integer blas calls [3] 52116 converting hf2d_all.F back to 8-byte integer blas calls [4] 52117 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hfderi.F back to 8-byte integer blas calls [1] 52118 converting hf1d_cosmo.F back to 8-byte integer blas calls [2] 52119 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in texas /build/nwchem-6.8.1/src/config/32_to_64 amshift.F big_service.F trobsa.F getmem.F converting amshift.F back to 8-byte integer blas calls [1] 52486 converting big_service.F back to 8-byte integer blas calls [2] 52487 converting trobsa.F back to 8-byte integer blas calls [3] 52488 converting getmem.F back to 8-byte integer blas calls [4] 52489 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ecp /build/nwchem-6.8.1/src/config/32_to_64 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f back to 8-byte integer blas calls [1] 52858 converting ecp_cart_xpd.F back to 8-byte integer blas calls [2] 52859 converting ecp_cstrans.F back to 8-byte integer blas calls [3] 52860 converting ecp_grad_a.F back to 8-byte integer blas calls [4] 52861 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_grad_b.F back to 8-byte integer blas calls [1] 52862 converting ecp_gradient.F back to 8-byte integer blas calls [2] 52863 converting ecp_hessian.F back to 8-byte integer blas calls [3] 52864 converting ecp_int0.F back to 8-byte integer blas calls [4] 52865 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_int1.F back to 8-byte integer blas calls [1] 52866 converting ecp_int2.F back to 8-byte integer blas calls [2] 52867 converting ecp_integral.F back to 8-byte integer blas calls [3] 52868 converting ecp_local0.F back to 8-byte integer blas calls [4] 52869 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_local1.F back to 8-byte integer blas calls [1] 52870 converting ecp_local2.F back to 8-byte integer blas calls [2] 52871 converting ecp_locint1.F back to 8-byte integer blas calls [3] 52872 converting ecp_radint0.F back to 8-byte integer blas calls [4] 52873 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_radint1.F back to 8-byte integer blas calls [1] 52874 converting ecp_radint2.F back to 8-byte integer blas calls [2] 52875 converting ecp_s2ccoef.f back to 8-byte integer blas calls [3] 52876 converting ecp_so_ang.F back to 8-byte integer blas calls [4] 52877 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t1_Q0asy.F back to 8-byte integer blas calls [1] 52878 converting ecp_t1_Q3asy.F back to 8-byte integer blas calls [2] 52879 converting ecp_t1_Q0pow.F back to 8-byte integer blas calls [3] 52880 converting ecp_t1_Q1pow.F back to 8-byte integer blas calls [4] 52881 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t1_Q3pow.F back to 8-byte integer blas calls [1] 52882 converting ecp_t2_p0pow.F back to 8-byte integer blas calls [2] 52883 converting ecp_t2_p1pow.F back to 8-byte integer blas calls [3] 52884 converting ecp_t2_p3pow.F back to 8-byte integer blas calls [4] 52885 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t2_p4pow.F back to 8-byte integer blas calls [1] 52886 converting ecp_skipint.F back to 8-byte integer blas calls [2] 52887 converting int_ecp.F back to 8-byte integer blas calls [3] 52888 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in hondo /build/nwchem-6.8.1/src/config/32_to_64 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F back to 8-byte integer blas calls [1] 53254 converting hnd_stvintd.F back to 8-byte integer blas calls [2] 53255 converting hnd_stvintdd.F back to 8-byte integer blas calls [3] 53256 converting hnd_elfder.F back to 8-byte integer blas calls [4] 53257 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_pso.F back to 8-byte integer blas calls [1] 53258 converting hnd_dso.F back to 8-byte integer blas calls [2] 53259 converting hnd_giaoh11.F back to 8-byte integer blas calls [3] 53260 converting hnd_giaoh01.F back to 8-byte integer blas calls [4] 53261 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_giaotv10.F back to 8-byte integer blas calls [1] 53262 converting hnd_giaobq10.F back to 8-byte integer blas calls [2] 53263 converting hnd_giaol10.F back to 8-byte integer blas calls [3] 53264 converting hnd_giaos10.F back to 8-byte integer blas calls [4] 53265 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_giaos100.F back to 8-byte integer blas calls [1] 53266 converting hnd_vstat.F back to 8-byte integer blas calls [2] 53267 converting hnd_veloc.F back to 8-byte integer blas calls [3] 53268 converting hnd_dipder.F back to 8-byte integer blas calls [4] 53269 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_angmom.F back to 8-byte integer blas calls [1] 53270 converting hnd_dipvel.F back to 8-byte integer blas calls [2] 53271 converting hnd_giahnd.F back to 8-byte integer blas calls [3] 53272 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in rel /build/nwchem-6.8.1/src/config/32_to_64 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_oneld_cosmo.F rel_pot2.F converting rel_onel.F back to 8-byte integer blas calls [1] 53638 converting rel_oneld.F back to 8-byte integer blas calls [2] 53639 converting rel_mpole.F back to 8-byte integer blas calls [3] 53640 converting rel_2e4c_sf.F back to 8-byte integer blas calls [4] 53641 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_LLSS.F back to 8-byte integer blas calls [1] 53644 converting rel_SSLL.F back to 8-byte integer blas calls [2] 53645 converting rel_SSSS.F back to 8-byte integer blas calls [3] 53646 converting rel_2e4cd_sf.F back to 8-byte integer blas calls [4] 53647 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_LLSSd.F back to 8-byte integer blas calls [1] 53648 converting rel_SSLLd.F back to 8-byte integer blas calls [2] 53649 converting rel_SSSSd.F back to 8-byte integer blas calls [3] 53650 converting rel_pot.F back to 8-byte integer blas calls [4] 53651 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_oneld_cosmo.F back to 8-byte integer blas calls [1] 53652 converting rel_pot2.F back to 8-byte integer blas calls [2] 53653 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in dk /build/nwchem-6.8.1/src/config/32_to_64 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F back to 8-byte integer blas calls [1] 54020 converting int_1edkso_ga.F back to 8-byte integer blas calls [2] 54021 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in simint Making 32_to_64 in module 32_to_64 : no conversion necessary Making 32_to_64 in source 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F back to 8-byte integer blas calls [1] 55486 converting atscf_atscf.F back to 8-byte integer blas calls [2] 55487 converting atscf_ecp.F back to 8-byte integer blas calls [3] 55488 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in fast /build/nwchem-6.8.1/src/config/32_to_64 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F converting potential.F back to 8-byte integer blas calls [1] 56221 converting pot_shell.F back to 8-byte integer blas calls [2] 56222 converting fmm.F back to 8-byte integer blas calls [3] 56223 converting newfmm.F back to 8-byte integer blas calls [4] 56224 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting testfmm.F back to 8-byte integer blas calls [1] 56225 converting cart_trans.F back to 8-byte integer blas calls [2] 56226 converting xlm_poles.F back to 8-byte integer blas calls [3] 56227 converting fastj.F back to 8-byte integer blas calls [4] 56228 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting solver.F back to 8-byte integer blas calls [1] 56229 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F converting ao_fock_2e.F back to 8-byte integer blas calls [1] 56232 converting ao_replicated.F back to 8-byte integer blas calls [2] 56233 converting fock_2e_file.F back to 8-byte integer blas calls [3] 56234 converting fock_2e_slab.F back to 8-byte integer blas calls [4] 56235 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting int2e_file.F back to 8-byte integer blas calls [1] 56236 converting movecs_lock.F back to 8-byte integer blas calls [2] 56237 converting movecs_phase.F back to 8-byte integer blas calls [3] 56238 converting riscf_fock.F back to 8-byte integer blas calls [4] 56239 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting riscf_trans.F back to 8-byte integer blas calls [1] 56242 converting rohf_diis.F back to 8-byte integer blas calls [2] 56243 converting rohf_k2cf.F back to 8-byte integer blas calls [3] 56244 converting scf_movecs.F back to 8-byte integer blas calls [4] 56245 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting scf_vec_guess.F back to 8-byte integer blas calls [1] 56246 converting uhf.F back to 8-byte integer blas calls [2] 56247 converting movecs_frag.F back to 8-byte integer blas calls [3] 56248 converting localize.F back to 8-byte integer blas calls [4] 56249 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting fock_2e.F back to 8-byte integer blas calls [1] 56250 converting fock_2e_cam.F back to 8-byte integer blas calls [2] 56251 converting int_1e_ga.F back to 8-byte integer blas calls [3] 56252 converting movecs_rotate.F back to 8-byte integer blas calls [4] 56253 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vectors.F back to 8-byte integer blas calls [1] 56254 converting ga_get2eri.F back to 8-byte integer blas calls [2] 56255 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 grad2.F ga_reorder.F grad_dens.F converting grad2.F back to 8-byte integer blas calls [1] 56621 converting ga_reorder.F back to 8-byte integer blas calls [2] 56622 converting grad_dens.F back to 8-byte integer blas calls [3] 56623 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F back to 8-byte integer blas calls [1] 56990 converting moints_6x.F back to 8-byte integer blas calls [2] 56991 converting moints_aux2.F back to 8-byte integer blas calls [3] 56992 converting moints_ccsd.F back to 8-byte integer blas calls [4] 56993 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting moints_full.F back to 8-byte integer blas calls [1] 56994 converting moints_semi.F back to 8-byte integer blas calls [2] 56995 converting sifs0.F back to 8-byte integer blas calls [3] 56996 converting sifs1.F back to 8-byte integer blas calls [4] 56997 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in include /build/nwchem-6.8.1/src/config/32_to_64 xc_vwn_a.fh converting xc_vwn_a.fh back to 8-byte integer blas calls [1] 57730 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in input_dft 32_to_64 : no conversion necessary Making 32_to_64 in scf_dft /bin/sh: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: No such file or directory /build/nwchem-6.8.1/src/config/32_to_64 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F converting dft_mxovl.F back to 8-byte integer blas calls [1] 58484 converting diis_bld12.F back to 8-byte integer blas calls [2] 58485 converting diis_bsolve.F back to 8-byte integer blas calls [3] 58486 converting dft_densm.F back to 8-byte integer blas calls [4] 58487 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_swapab.F back to 8-byte integer blas calls [1] 58488 converting dft_canorg.F back to 8-byte integer blas calls [2] 58489 converting cdft_util.F back to 8-byte integer blas calls [3] 58490 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in scf_dft_cg 32_to_64 : no conversion necessary Making 32_to_64 in so_dft /build/nwchem-6.8.1/src/config/32_to_64 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F dft_densmso.F converting dft_mxovlso.F back to 8-byte integer blas calls [1] 59243 converting diis_bld12_so.F back to 8-byte integer blas calls [2] 59244 converting diis_bsolve_so.F back to 8-byte integer blas calls [3] 59245 converting sym_mo_adapt_so.F back to 8-byte integer blas calls [4] 59246 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_op_clsfy_so.F back to 8-byte integer blas calls [1] 59247 converting dft_scf_so.F back to 8-byte integer blas calls [2] 59248 converting ga_orthog_so.F back to 8-byte integer blas calls [3] 59249 converting dft_scf_utils_so.F back to 8-byte integer blas calls [4] 59250 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_densmso.F back to 8-byte integer blas calls [1] 59251 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in coulomb /build/nwchem-6.8.1/src/config/32_to_64 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F back to 8-byte integer blas calls [1] 59617 converting dft_fitvc.F back to 8-byte integer blas calls [2] 59618 converting dft_genspm.F back to 8-byte integer blas calls [3] 59619 converting dft_3cincor.F back to 8-byte integer blas calls [4] 59620 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_get2eri.F back to 8-byte integer blas calls [1] 59621 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in xc cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/src/config/32_to_64 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F converting xc_fitv.F back to 8-byte integer blas calls [1] 59990 converting xc_dirac.F back to 8-byte integer blas calls [2] 59991 converting xc_bnl.F back to 8-byte integer blas calls [3] 59992 converting xc_att_xc.F back to 8-byte integer blas calls [4] 59993 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_tabcd.F back to 8-byte integer blas calls [1] 59994 converting xc_rhogen.F back to 8-byte integer blas calls [2] 59995 converting xc_oep.F back to 8-byte integer blas calls [3] 59996 converting xc_sic_pert.F back to 8-byte integer blas calls [4] 59997 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_sic.F back to 8-byte integer blas calls [1] 59998 converting localize_sic.F back to 8-byte integer blas calls [2] 59999 converting xc_eval_basis.F back to 8-byte integer blas calls [3] 60000 converting xc_eval_fnl.F back to 8-byte integer blas calls [4] 60001 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_fd.F back to 8-byte integer blas calls [1] 60002 converting xc_optc.F back to 8-byte integer blas calls [2] 60003 converting xc_atomblock.F back to 8-byte integer blas calls [3] 60004 converting scat_mat.F back to 8-byte integer blas calls [4] 60005 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_replicated.F back to 8-byte integer blas calls [1] 60006 converting xc_vdw_main.F back to 8-byte integer blas calls [2] 60007 converting xc_vdw_util.F back to 8-byte integer blas calls [3] 60008 converting xc_3rd_deriv.F back to 8-byte integer blas calls [4] 60009 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in util /build/nwchem-6.8.1/src/config/32_to_64 ga_chol_seq.F ga_inv_seq.F converting ga_chol_seq.F back to 8-byte integer blas calls [1] 60377 converting ga_inv_seq.F back to 8-byte integer blas calls [2] 60378 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in grid /build/nwchem-6.8.1/src/config/32_to_64 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F back to 8-byte integer blas calls [1] 60745 converting grid_beckew.F back to 8-byte integer blas calls [2] 60746 converting grid_file.F back to 8-byte integer blas calls [3] 60747 converting grid_setspac.F back to 8-byte integer blas calls [4] 60748 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_quadv0a.F back to 8-byte integer blas calls [1] 60749 converting grid_quadv0b.F back to 8-byte integer blas calls [2] 60750 converting grid_quadvw.F back to 8-byte integer blas calls [3] 60751 converting grid_tasks.F back to 8-byte integer blas calls [4] 60752 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_pscreen.F back to 8-byte integer blas calls [1] 60754 converting grid_quadvw1.F back to 8-byte integer blas calls [2] 60755 converting grid_xcfit.F back to 8-byte integer blas calls [3] 60756 converting grid_sympts.F back to 8-byte integer blas calls [4] 60757 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_ssw.F back to 8-byte integer blas calls [1] 60758 converting grid_finpts.F back to 8-byte integer blas calls [2] 60759 converting grid_ylm.F back to 8-byte integer blas calls [3] 60760 converting grid_eaf.F back to 8-byte integer blas calls [4] 60761 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in dftgrad /build/nwchem-6.8.1/src/config/32_to_64 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F converting dftg_cdfit.F back to 8-byte integer blas calls [1] 61127 converting dftg_quadv0b.F back to 8-byte integer blas calls [2] 61128 converting dftg_wderiv.F back to 8-byte integer blas calls [3] 61129 converting j_nucder_gen.F back to 8-byte integer blas calls [4] 61130 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_gradients.F back to 8-byte integer blas calls [1] 61131 converting dftg_gridv0a.F back to 8-byte integer blas calls [2] 61132 converting dftg_gridv0b.F back to 8-byte integer blas calls [3] 61133 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in lr_tddft /build/nwchem-6.8.1/src/config/32_to_64 tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F converting tddft_diagon.F back to 8-byte integer blas calls [1] 61500 converting tddft_transfm.F back to 8-byte integer blas calls [2] 61501 converting tddft_analysis.F back to 8-byte integer blas calls [3] 61502 converting tddft_restart.F back to 8-byte integer blas calls [4] 61503 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in lr_tddft_grad /build/nwchem-6.8.1/src/config/32_to_64 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F tddft_grad_compute_g.F converting tddft_grad_gxc.F back to 8-byte integer blas calls [1] 61872 converting tddft_grad_compute_w.F back to 8-byte integer blas calls [2] 61873 converting tddft_grad_dxcdmat.F back to 8-byte integer blas calls [3] 61874 converting tddft_grad_dfxc.F back to 8-byte integer blas calls [4] 61875 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tddft_grad_quadv0b.F back to 8-byte integer blas calls [1] 61876 converting tddft_grad_dvxc.F back to 8-byte integer blas calls [2] 61877 converting tddft_grad_compute_g.F back to 8-byte integer blas calls [3] 61878 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in zora /build/nwchem-6.8.1/src/config/32_to_64 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F converting dft_zora_NMR.F back to 8-byte integer blas calls [1] 62244 converting dft_zora_EPR-NMR_tools.F back to 8-byte integer blas calls [2] 62245 converting zora_tabcd.F back to 8-byte integer blas calls [3] 62246 converting dft_zora_EPR.F back to 8-byte integer blas calls [4] 62247 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_zora_Hyperfine.F back to 8-byte integer blas calls [1] 62250 converting zora_tabcd_EFG.F back to 8-byte integer blas calls [2] 62251 converting dft_zora_utils_so.F back to 8-byte integer blas calls [3] 62252 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in spec cat: /build/nwchem-6.8.1/src/tools/build/config.h: No such file or directory 32_to_64 : no conversion necessary Making 32_to_64 in rt_tddft Making 32_to_64 in matutils /build/nwchem-6.8.1/src/config/32_to_64 zmat_diag.F zmat_inv.F converting zmat_diag.F back to 8-byte integer blas calls [1] 63352 converting zmat_inv.F back to 8-byte integer blas calls [2] 63353 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in rtutils 32_to_64 : no conversion necessary Making 32_to_64 in input 32_to_64 : no conversion necessary Making 32_to_64 in init 32_to_64 : no conversion necessary Making 32_to_64 in canorg 32_to_64 : no conversion necessary Making 32_to_64 in propagators 32_to_64 : no conversion necessary Making 32_to_64 in closedshell 32_to_64 : no conversion necessary Making 32_to_64 in openshell 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F back to 8-byte integer blas calls [1] 1088 converting eval_3ci.F back to 8-byte integer blas calls [2] 1089 converting rimp2_v_e2.F back to 8-byte integer blas calls [3] 1090 converting xf3ci_s12a.F back to 8-byte integer blas calls [4] 1091 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xf3ci_s12b.F back to 8-byte integer blas calls [1] 1092 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F back to 8-byte integer blas calls [1] 1462 converting stpr_mkstep.F back to 8-byte integer blas calls [2] 1463 converting stpr_partit.F back to 8-byte integer blas calls [3] 1464 converting stpr_gh_at.F back to 8-byte integer blas calls [4] 1465 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F converting opt_drv.F back to 8-byte integer blas calls [1] 1832 converting oniom.F back to 8-byte integer blas calls [2] 1833 converting lbfgs.F back to 8-byte integer blas calls [3] 1834 converting lbfgs-b.F back to 8-byte integer blas calls [4] 1835 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lbfgs-b_driver.F back to 8-byte integer blas calls [1] 1836 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in deloc 32_to_64 : no conversion necessary Making 32_to_64 in mepgs /build/nwchem-6.8.1/src/config/32_to_64 mepgs_drv.F converting mepgs_drv.F back to 8-byte integer blas calls [1] 2944 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in tropt /build/nwchem-6.8.1/src/config/32_to_64 tropt_drv.F converting tropt_drv.F back to 8-byte integer blas calls [1] 3310 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in neb /build/nwchem-6.8.1/src/config/32_to_64 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F back to 8-byte integer blas calls [1] 3690 converting neb_utils.F back to 8-byte integer blas calls [2] 3691 converting bead_list.F back to 8-byte integer blas calls [3] 3692 converting neb_input.F back to 8-byte integer blas calls [4] 3693 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in string /build/nwchem-6.8.1/src/config/32_to_64 string.F converting string.F back to 8-byte integer blas calls [1] 4165 [1] Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary cat: /build/nwchem-6.8.1/src/tools/build/global/src/ga-wapi.h: No such file or directory /build/nwchem-6.8.1/src/config/32_to_64 ccsd_itm.F ccsd_itm_omp.F ccsd_t2pm.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_idx1.F ccsd_idx2.F ccsd_idx34.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_nb.F ccsd_trpdrv_omp.F ccsd_trpdrv_omp_mixprec.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.F ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F moints_trp.F converting ccsd_itm.F back to 8-byte integer blas calls [1] 4924 converting ccsd_itm_omp.F back to 8-byte integer blas calls [2] 4925 converting ccsd_t2pm.F back to 8-byte integer blas calls [3] 4926 converting ccsd_iterdrv2.F back to 8-byte integer blas calls [4] 4927 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_pampt2.F back to 8-byte integer blas calls [1] 4930 converting ccsd_pampt3.F back to 8-byte integer blas calls [2] 4931 converting ccsd_idx1.F back to 8-byte integer blas calls [3] 4932 converting ccsd_idx2.F back to 8-byte integer blas calls [4] 4933 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_idx34.F back to 8-byte integer blas calls [1] 4934 converting ccsd_pdiis.F back to 8-byte integer blas calls [2] 4935 converting ccsd_sortmo.F back to 8-byte integer blas calls [3] 4936 converting ccsd_trpdrv.F back to 8-byte integer blas calls [4] 4937 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_trpdrv_nb.F back to 8-byte integer blas calls [1] 4938 converting ccsd_trpdrv_omp.F back to 8-byte integer blas calls [2] 4939 converting ccsd_trpdrv_omp_mixprec.F back to 8-byte integer blas calls [3] 4940 converting moints_trp.F back to 8-byte integer blas calls [4] 4941 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_zvecs.F back to 8-byte integer blas calls [1] 4950 converting ccsd_z2pm.F back to 8-byte integer blas calls [2] 4951 converting ccsd_tzinta.F back to 8-byte integer blas calls [3] 4952 converting ccsd_tzintb.F back to 8-byte integer blas calls [4] 4954 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_zsig1.F back to 8-byte integer blas calls [1] 5019 converting ccsd_zsig2.F back to 8-byte integer blas calls [2] 5020 converting ccden_interm2.F back to 8-byte integer blas calls [3] 5021 converting ccden_1pdm.F back to 8-byte integer blas calls [4] 5022 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting geaxpy.F back to 8-byte integer blas calls [1] 5051 converting ccsd_mktau_ga.F back to 8-byte integer blas calls [2] 5052 converting ccden_2pdmb.F back to 8-byte integer blas calls [3] 5054 converting aoccsd2.F back to 8-byte integer blas calls [4] 5055 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting moints_trp.F back to 8-byte integer blas calls [1] 5206 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F back to 8-byte integer blas calls [1] 5575 converting vib_hmass.F back to 8-byte integer blas calls [2] 5576 converting vib_intense.F back to 8-byte integer blas calls [3] 5577 converting vib_nmass.F back to 8-byte integer blas calls [4] 5578 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vib_tors.F back to 8-byte integer blas calls [1] 5579 converting vib_vib.F back to 8-byte integer blas calls [2] 5580 converting vib_wrtfreq.F back to 8-byte integer blas calls [3] 5581 converting vib_istep.F back to 8-byte integer blas calls [4] 5582 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vib_thermo.F back to 8-byte integer blas calls [1] 5583 converting vib_phonon.F back to 8-byte integer blas calls [2] 5584 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in detci /build/nwchem-6.8.1/src/config/32_to_64 detci_aux.F detci_dens.F detci_diag.F detci_sigma.F detci_spin.F converting detci_aux.F back to 8-byte integer blas calls [1] 6571 converting detci_dens.F back to 8-byte integer blas calls [2] 6572 converting detci_diag.F back to 8-byte integer blas calls [3] 6573 converting detci_sigma.F back to 8-byte integer blas calls [4] 6574 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting detci_spin.F back to 8-byte integer blas calls [1] 6593 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F converting hmat.F back to 8-byte integer blas calls [1] 6614 converting mcscf_aux.F back to 8-byte integer blas calls [2] 6615 converting mcscf_b.F back to 8-byte integer blas calls [3] 6616 converting mcscf_debug.F back to 8-byte integer blas calls [4] 6617 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mcscf_fock.F back to 8-byte integer blas calls [1] 6704 converting mcscf_ohvmo.F back to 8-byte integer blas calls [2] 6705 converting mcscf_orb.F back to 8-byte integer blas calls [3] 6706 converting mcscf_prcnd.F back to 8-byte integer blas calls [4] 6707 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 esp_esp.F esp_denmat.F converting esp_esp.F back to 8-byte integer blas calls [1] 7573 converting esp_denmat.F back to 8-byte integer blas calls [2] 7574 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in analytic Making 32_to_64 in dft /build/nwchem-6.8.1/src/config/32_to_64 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F back to 8-byte integer blas calls [1] 8975 converting xc_d2expl.F back to 8-byte integer blas calls [2] 8976 converting xc_nucder_gen.F back to 8-byte integer blas calls [3] 8977 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F back to 8-byte integer blas calls [1] 8997 converting hess_restart.F back to 8-byte integer blas calls [2] 8998 converting shell_fock_build.F back to 8-byte integer blas calls [3] 8999 converting shell_fock_build_cam.F back to 8-byte integer blas calls [4] 9000 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting twodd_cont.F back to 8-byte integer blas calls [1] 9089 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 hess_blas.F converting hess_blas.F back to 8-byte integer blas calls [1] 9100 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 davids.F fcidim.F makeh.F makehs.F makhdb.F tester.F selci_hpp.F converting davids.F back to 8-byte integer blas calls [1] 9467 converting fcidim.F back to 8-byte integer blas calls [2] 9468 converting makeh.F back to 8-byte integer blas calls [3] 9469 converting makehs.F back to 8-byte integer blas calls [4] 9470 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting makhdb.F back to 8-byte integer blas calls [1] 9471 converting tester.F back to 8-byte integer blas calls [2] 9472 converting selci_hpp.F back to 8-byte integer blas calls [3] 9473 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 dplot.F dmat.F create_contour.F get_charges.F dplot_dos.F converting dplot.F back to 8-byte integer blas calls [1] 9979 converting dmat.F back to 8-byte integer blas calls [2] 9980 converting create_contour.F back to 8-byte integer blas calls [3] 9981 converting get_charges.F back to 8-byte integer blas calls [4] 9982 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dplot_dos.F back to 8-byte integer blas calls [1] 10127 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F back to 8-byte integer blas calls [1] 10496 converting mp2_lai_uhf.F back to 8-byte integer blas calls [2] 10497 converting mp2_make_tuhf.F back to 8-byte integer blas calls [3] 10498 converting mp2_pijab_uhf.F back to 8-byte integer blas calls [4] 10499 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp2_wai_uhf.F back to 8-byte integer blas calls [1] 10502 converting mp2_wijab_uhf.F back to 8-byte integer blas calls [2] 10503 converting mp2_back_transform.F back to 8-byte integer blas calls [3] 10504 converting mp2_read_tiajb.F back to 8-byte integer blas calls [4] 10505 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F converting hnd_elfcon.F back to 8-byte integer blas calls [1] 11373 converting wnbofile.F back to 8-byte integer blas calls [2] 11374 converting hnd_spinspin.F back to 8-byte integer blas calls [3] 11375 converting hnd_mtpole.F back to 8-byte integer blas calls [4] 11376 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_mulken.F back to 8-byte integer blas calls [1] 11477 converting hnd_elpmap.F back to 8-byte integer blas calls [2] 11478 converting hnd_elfmap.F back to 8-byte integer blas calls [3] 11479 converting hnd_mtpcon.F back to 8-byte integer blas calls [4] 11480 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting giaofock.F back to 8-byte integer blas calls [1] 11490 converting hnd_spinspin.F back to 8-byte integer blas calls [2] 11491 converting aoresponse_driver.F back to 8-byte integer blas calls [3] 11492 converting raman.F back to 8-byte integer blas calls [4] 11493 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_efgmap_z4.F back to 8-byte integer blas calls [1] 11530 converting hnd_gshift_zora.F back to 8-byte integer blas calls [2] 11531 converting wshldfile.F back to 8-byte integer blas calls [3] 11532 converting int_giao_1ega.F back to 8-byte integer blas calls [4] 11533 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting whypfile.F back to 8-byte integer blas calls [1] 11781 converting wefgfile.F back to 8-byte integer blas calls [2] 11782 converting aoresponse_driver_new.F back to 8-byte integer blas calls [3] 11783 converting hnd_elfcon_symm.F back to 8-byte integer blas calls [4] 11784 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wgshiftfile.F back to 8-byte integer blas calls [1] 11813 converting hnd_hyperfine_zora.F back to 8-byte integer blas calls [2] 11814 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary Making 32_to_64 in nwpwlib Making 32_to_64 in Parallel /build/nwchem-6.8.1/src/config/32_to_64 Parallel-mpi.F Parallel.F converting Parallel-mpi.F back to 8-byte integer blas calls [1] 13499 converting Parallel.F back to 8-byte integer blas calls [2] 13500 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in D1dB /build/nwchem-6.8.1/src/config/32_to_64 D1dB-mpi.F Dne.F skew.F Dne_omp.F Dnex.F converting D1dB-mpi.F back to 8-byte integer blas calls [1] 13866 converting Dne.F back to 8-byte integer blas calls [2] 13867 converting skew.F back to 8-byte integer blas calls [3] 13868 converting Dne_omp.F back to 8-byte integer blas calls [4] 13869 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting Dnex.F back to 8-byte integer blas calls [1] 13870 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in D3dB /build/nwchem-6.8.1/src/config/32_to_64 D3dB-new.F D3dB_pfft.F D3dB-mpi.F D3dB-tcgmsg.F converting D3dB-new.F back to 8-byte integer blas calls [1] 14248 converting D3dB_pfft.F back to 8-byte integer blas calls [2] 14249 converting D3dB-mpi.F back to 8-byte integer blas calls [3] 14250 converting D3dB-tcgmsg.F back to 8-byte integer blas calls [4] 14251 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in Pneb /build/nwchem-6.8.1/src/config/32_to_64 Pneb.F converting Pneb.F back to 8-byte integer blas calls [1] 14618 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in K1dB /build/nwchem-6.8.1/src/config/32_to_64 K1dB-mpi.F converting K1dB-mpi.F back to 8-byte integer blas calls [1] 14986 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in C3dB /build/nwchem-6.8.1/src/config/32_to_64 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F back to 8-byte integer blas calls [1] 15352 converting C3dB_pfft.F back to 8-byte integer blas calls [2] 15353 converting C3dB-tcgmsg.F back to 8-byte integer blas calls [3] 15354 converting C3dB-mpi.F back to 8-byte integer blas calls [4] 15355 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in DMatrix /build/nwchem-6.8.1/src/config/32_to_64 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F back to 8-byte integer blas calls [1] 15721 converting DMatrix.F back to 8-byte integer blas calls [2] 15722 converting DMatrix-tcgmsg.F back to 8-byte integer blas calls [3] 15723 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in CMatrix /build/nwchem-6.8.1/src/config/32_to_64 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F back to 8-byte integer blas calls [1] 16094 converting CMatrix-tcgmsg.F back to 8-byte integer blas calls [2] 16095 converting CMatrix-mpi.F back to 8-byte integer blas calls [3] 16096 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in TMatrix /build/nwchem-6.8.1/src/config/32_to_64 dgemm_omp.F ffm_multiply_omp_group.F converting dgemm_omp.F back to 8-byte integer blas calls [1] 16462 converting ffm_multiply_omp_group.F back to 8-byte integer blas calls [2] 16463 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in control /build/nwchem-6.8.1/src/config/32_to_64 control.F converting control.F back to 8-byte integer blas calls [1] 16829 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in lattice /build/nwchem-6.8.1/src/config/32_to_64 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f back to 8-byte integer blas calls [1] 17197 converting pack.F back to 8-byte integer blas calls [2] 17198 converting G_init.F back to 8-byte integer blas calls [3] 17199 converting cram.F back to 8-byte integer blas calls [4] 17200 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_G_init.F back to 8-byte integer blas calls [1] 17201 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in io 32_to_64 : no conversion necessary Making 32_to_64 in ion Making 32_to_64 in shake /build/nwchem-6.8.1/src/config/32_to_64 molecular.F converting molecular.F back to 8-byte integer blas calls [1] 18300 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F converting ion.F back to 8-byte integer blas calls [1] 18303 converting fcoord.f back to 8-byte integer blas calls [2] 18304 converting incell1.f back to 8-byte integer blas calls [3] 18305 converting incell2.f back to 8-byte integer blas calls [4] 18306 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting incell3.f back to 8-byte integer blas calls [1] 18309 converting unfold.f back to 8-byte integer blas calls [2] 18310 converting seperate_molpsp.F back to 8-byte integer blas calls [3] 18311 converting seperate_pointcharge.F back to 8-byte integer blas calls [4] 18312 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ion_FixIon.F back to 8-byte integer blas calls [1] 18313 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in pseudopotential Making 32_to_64 in paw_atom 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary Making 32_to_64 in utilities Making 32_to_64 in paw_utilities /build/nwchem-6.8.1/src/config/32_to_64 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F nwpw_compcharge2.F converting nwpw_gaunt.F back to 8-byte integer blas calls [1] 19777 converting nwpw_compcharge.F back to 8-byte integer blas calls [2] 19778 converting nwpw_xc.F back to 8-byte integer blas calls [3] 19779 converting nwpw_compcharge2.F back to 8-byte integer blas calls [4] 19780 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F converting auto_corr.F back to 8-byte integer blas calls [1] 19785 converting matrix.f back to 8-byte integer blas calls [2] 19786 converting nwpw_scf_mixing.F back to 8-byte integer blas calls [3] 19787 converting kerker_G.F back to 8-byte integer blas calls [4] 19788 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cell.F back to 8-byte integer blas calls [1] 19789 converting cellgeometry.F back to 8-byte integer blas calls [2] 19790 converting nwpw_list.F back to 8-byte integer blas calls [3] 19791 converting cpsi_data.F back to 8-byte integer blas calls [4] 19792 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psi_data.F back to 8-byte integer blas calls [1] 19793 converting nwpw_diis.F back to 8-byte integer blas calls [2] 19794 converting nwpw_kain.F back to 8-byte integer blas calls [3] 19795 converting nwpw_matrix_invert.F back to 8-byte integer blas calls [4] 19796 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting generate_unfolded_xyz.F back to 8-byte integer blas calls [1] 19797 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in unitcell 32_to_64 : no conversion necessary Making 32_to_64 in brillouin_zone 32_to_64 : no conversion necessary Making 32_to_64 in fractional /build/nwchem-6.8.1/src/config/32_to_64 fractional.F frac_occ.F converting fractional.F back to 8-byte integer blas calls [1] 20893 converting frac_occ.F back to 8-byte integer blas calls [2] 20894 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in linesearch 32_to_64 : no conversion necessary Making 32_to_64 in timing /build/nwchem-6.8.1/src/config/32_to_64 nwpw_timing.F converting nwpw_timing.F back to 8-byte integer blas calls [1] 21627 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in ewald /build/nwchem-6.8.1/src/config/32_to_64 ewald.F ewald_strfac.F converting ewald.F back to 8-byte integer blas calls [1] 21996 converting ewald_strfac.F back to 8-byte integer blas calls [2] 21997 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in thermostats /build/nwchem-6.8.1/src/config/32_to_64 nose-hoover.F converting nose-hoover.F back to 8-byte integer blas calls [1] 22458 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in MetaDynamics /build/nwchem-6.8.1/src/config/32_to_64 metadynamics.F converting metadynamics.F back to 8-byte integer blas calls [1] 22920 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in TAMD /build/nwchem-6.8.1/src/config/32_to_64 tamd.F converting tamd.F back to 8-byte integer blas calls [1] 23983 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in FMM /build/nwchem-6.8.1/src/config/32_to_64 fmm.F converting fmm.F back to 8-byte integer blas calls [1] 24659 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in md_xs Making 32_to_64 in FEFF6L 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 md_xs.F converting md_xs.F back to 8-byte integer blas calls [1] 25537 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in nwpwxc /build/nwchem-6.8.1/src/config/32_to_64 nwpwxc_vdw3a.F nwpwxc_vdw3c.F nwpwxc_eval.F nwpwxc_c_vwn_a.fh converting nwpwxc_vdw3a.F back to 8-byte integer blas calls [1] 26086 converting nwpwxc_vdw3c.F back to 8-byte integer blas calls [2] 26087 converting nwpwxc_eval.F back to 8-byte integer blas calls [3] 26088 converting nwpwxc_c_vwn_a.fh back to 8-byte integer blas calls [4] 26089 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary Making 32_to_64 in libraryps 32_to_64 : no conversion necessary Making 32_to_64 in pspw Making 32_to_64 in lib Making 32_to_64 in psi /build/nwchem-6.8.1/src/config/32_to_64 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F converting psi.F back to 8-byte integer blas calls [1] 28114 converting geodesic.F back to 8-byte integer blas calls [2] 28115 converting geodesic2.F back to 8-byte integer blas calls [3] 28117 converting Grassman.F back to 8-byte integer blas calls [4] 28119 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dipole.F back to 8-byte integer blas calls [1] 28974 converting psi_history.F back to 8-byte integer blas calls [2] 28975 converting skew.F back to 8-byte integer blas calls [3] 28976 converting geodesic1.F back to 8-byte integer blas calls [4] 28977 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting berry_phase_pol.F back to 8-byte integer blas calls [1] 29108 converting psi_dmatrix.F back to 8-byte integer blas calls [2] 29110 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in electron /build/nwchem-6.8.1/src/config/32_to_64 electron.F psi_H.F psi_Hv4.F converting electron.F back to 8-byte integer blas calls [1] 29911 converting psi_H.F back to 8-byte integer blas calls [2] 29912 converting psi_Hv4.F back to 8-byte integer blas calls [3] 29913 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ke /build/nwchem-6.8.1/src/config/32_to_64 ke.F converting ke.F back to 8-byte integer blas calls [1] 30829 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in coulomb /build/nwchem-6.8.1/src/config/32_to_64 coulomb.F coulomb2.F coulomb_screened.F coulomb_screened_small.F converting coulomb.F back to 8-byte integer blas calls [1] 31208 converting coulomb2.F back to 8-byte integer blas calls [2] 31209 converting coulomb_screened.F back to 8-byte integer blas calls [3] 31210 converting coulomb_screened_small.F back to 8-byte integer blas calls [4] 31211 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in exchange-correlation /build/nwchem-6.8.1/src/config/32_to_64 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F v_mexc.F converting v_bwexc_euv.F back to 8-byte integer blas calls [1] 31619 converting v_bwexc.F back to 8-byte integer blas calls [2] 31620 converting nwpw_meta_gga.F back to 8-byte integer blas calls [3] 31621 converting v_mexc.F back to 8-byte integer blas calls [4] 31622 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in sic /build/nwchem-6.8.1/src/config/32_to_64 pspw_sic.F converting pspw_sic.F back to 8-byte integer blas calls [1] 32359 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in hfx /build/nwchem-6.8.1/src/config/32_to_64 pspw_hfx.F pspw_hfx_localized.F converting pspw_hfx.F back to 8-byte integer blas calls [1] 32808 converting pspw_hfx_localized.F back to 8-byte integer blas calls [2] 32809 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ion 32_to_64 : no conversion necessary Making 32_to_64 in psp /build/nwchem-6.8.1/src/config/32_to_64 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F back to 8-byte integer blas calls [1] 33766 converting psp_olddebug.F back to 8-byte integer blas calls [2] 33767 converting paw.F back to 8-byte integer blas calls [3] 33768 converting semicore.F back to 8-byte integer blas calls [4] 33770 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting semicore_force.F back to 8-byte integer blas calls [1] 33974 converting psp_stress.F back to 8-byte integer blas calls [2] 33975 converting semicore_force_a.F back to 8-byte integer blas calls [3] 33976 converting semicore_force_b.F back to 8-byte integer blas calls [4] 33977 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psp_U.F back to 8-byte integer blas calls [1] 34005 converting psp_ld.F back to 8-byte integer blas calls [2] 34006 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in Grsm_list /build/nwchem-6.8.1/src/config/32_to_64 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F back to 8-byte integer blas calls [1] 34509 converting pspw_lmbfgs2.F back to 8-byte integer blas calls [2] 34510 converting pspw_diis.F back to 8-byte integer blas calls [3] 34511 converting pspw_Grsm_list.F back to 8-byte integer blas calls [4] 34512 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pspw_rmmdiis.F back to 8-byte integer blas calls [1] 34525 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in aorbs /build/nwchem-6.8.1/src/config/32_to_64 aorbs.F converting aorbs.F back to 8-byte integer blas calls [1] 34976 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in truncating_function /build/nwchem-6.8.1/src/config/32_to_64 truncating_function.F converting truncating_function.F back to 8-byte integer blas calls [1] 35425 [1] Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary Making 32_to_64 in kbpp /build/nwchem-6.8.1/src/config/32_to_64 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f back to 8-byte integer blas calls [1] 35866 converting integrate_kbppv3.f back to 8-byte integer blas calls [2] 35867 converting integrate_kbppv3d.f back to 8-byte integer blas calls [3] 35868 converting integrate_kbpp_orb.F back to 8-byte integer blas calls [4] 35869 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_stress.F back to 8-byte integer blas calls [1] 35895 converting integrate_d_stress.F back to 8-byte integer blas calls [2] 35896 converting HGH_local.F back to 8-byte integer blas calls [3] 35897 converting HGH_nonlocal.F back to 8-byte integer blas calls [4] 35898 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting Tesseral.F back to 8-byte integer blas calls [1] 35921 converting hghppv1.F back to 8-byte integer blas calls [2] 35923 converting pawppv1.F back to 8-byte integer blas calls [3] 35924 converting integrate_kbppv3d_new.f back to 8-byte integer blas calls [4] 35925 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3_new.f back to 8-byte integer blas calls [1] 35951 converting integrate_d_stress_new.F back to 8-byte integer blas calls [2] 35952 converting integrate_pawppv1.F back to 8-byte integer blas calls [3] 35953 converting junk.f back to 8-byte integer blas calls [4] 35954 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3_ray.f back to 8-byte integer blas calls [1] 35997 converting integrate_stress_new.F back to 8-byte integer blas calls [2] 35998 converting integrate_stress_ray.F back to 8-byte integer blas calls [3] 35999 converting integrate_paw_ray.F back to 8-byte integer blas calls [4] 36000 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3e.f back to 8-byte integer blas calls [1] 36042 converting integrate_kbppv3e_new.f back to 8-byte integer blas calls [2] 36043 converting integrate_kbppv3e_ray.f back to 8-byte integer blas calls [3] 36044 converting kbppv3e_stress.F back to 8-byte integer blas calls [4] 36045 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_e_stress.F back to 8-byte integer blas calls [1] 36089 converting integrate_e_stress_new.F back to 8-byte integer blas calls [2] 36090 converting integrate_e_stress_ray.F back to 8-byte integer blas calls [3] 36091 converting kbppv3d.F back to 8-byte integer blas calls [4] 36092 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in makepsi /build/nwchem-6.8.1/src/config/32_to_64 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F makenodefunctions.F pspw_wannier2.F converting wvfnc_init.F back to 8-byte integer blas calls [1] 36570 converting v_wvfnc_init.F back to 8-byte integer blas calls [2] 36571 converting wvfnc_expander.F back to 8-byte integer blas calls [3] 36572 converting v_wvfnc_new.F back to 8-byte integer blas calls [4] 36573 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wvfnc_new.F back to 8-byte integer blas calls [1] 36588 converting silvestrelli_minimize.F back to 8-byte integer blas calls [2] 36589 converting expand_cell.F back to 8-byte integer blas calls [3] 36590 converting wvfnc_expand_cell.F back to 8-byte integer blas calls [4] 36591 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting band_reformat_c_wvfnc.F back to 8-byte integer blas calls [1] 36609 converting wvfnc_adjust.F back to 8-byte integer blas calls [2] 36610 converting silvestrelli_minimize_old.F back to 8-byte integer blas calls [3] 36612 converting makenodefunctions.F back to 8-byte integer blas calls [4] 36613 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pspw_wannier2.F back to 8-byte integer blas calls [1] 36633 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in cpsd /build/nwchem-6.8.1/src/config/32_to_64 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f psi_lmbda_omp.F mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F psi_lmbda_omp.F converting psi_lmbda.f back to 8-byte integer blas calls [1] 37053 converting psi_lmbda2.f back to 8-byte integer blas calls [2] 37054 converting psi_lmbda3.f back to 8-byte integer blas calls [3] 37055 converting psi_lmbda_sic.f back to 8-byte integer blas calls [4] 37056 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psi_lmbda_paw.f back to 8-byte integer blas calls [1] 37066 converting inner_loop.F back to 8-byte integer blas calls [2] 37067 converting inner_loop_md.F back to 8-byte integer blas calls [3] 37068 converting cpsdv5.F back to 8-byte integer blas calls [4] 37069 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cpmdv5.F back to 8-byte integer blas calls [1] 37124 converting psi_lmbda2.f back to 8-byte integer blas calls [2] 37125 converting psi_lmbda_omp.F back to 8-byte integer blas calls [3] 37126 converting mmsdv1.F back to 8-byte integer blas calls [4] 37128 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting inner_loop_qmmm_step.F back to 8-byte integer blas calls [1] 37339 converting cpmd_qmmm_start.F back to 8-byte integer blas calls [2] 37340 converting cpmd_qmmm_stop.F back to 8-byte integer blas calls [3] 37341 converting mm_loop.F back to 8-byte integer blas calls [4] 37342 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pspw_et.F back to 8-byte integer blas calls [1] 37391 converting psi_lmbda_omp.F back to 8-byte integer blas calls [2] 37392 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cgsd /build/nwchem-6.8.1/src/config/32_to_64 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgsd_noit_energy.F bfgsminimize.F converting cgsdv5.F back to 8-byte integer blas calls [1] 38131 converting cgmdv5.F back to 8-byte integer blas calls [2] 38132 converting cgmontecarlov1.F back to 8-byte integer blas calls [3] 38133 converting cgoptimize1.F back to 8-byte integer blas calls [4] 38134 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cgsd_energy.F back to 8-byte integer blas calls [1] 38518 converting bybminimize.F back to 8-byte integer blas calls [2] 38520 converting bybminimize2.F back to 8-byte integer blas calls [3] 38521 converting pspw_bq_gradient.F back to 8-byte integer blas calls [4] 38524 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cgminimize.F back to 8-byte integer blas calls [1] 38913 converting mmmdv1.F back to 8-byte integer blas calls [2] 38914 converting bfgsminimize2.F back to 8-byte integer blas calls [3] 38915 converting bfgsminimize3.F back to 8-byte integer blas calls [4] 38916 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting md_energy.F back to 8-byte integer blas calls [1] 39131 converting cgminimize2.F back to 8-byte integer blas calls [2] 39132 converting cgsd_noit_energy.F back to 8-byte integer blas calls [3] 39133 converting bfgsminimize.F back to 8-byte integer blas calls [4] 39134 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in analysis Making 32_to_64 in APC /build/nwchem-6.8.1/src/config/32_to_64 pspw_APC.F pspw_Efield.F pspw_Efield_grad.F converting pspw_APC.F back to 8-byte integer blas calls [1] 41149 converting pspw_Efield.F back to 8-byte integer blas calls [2] 41150 converting pspw_Efield_grad.F back to 8-byte integer blas calls [3] 41151 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F back to 8-byte integer blas calls [1] 41191 converting pspw_atom_analysis.F back to 8-byte integer blas calls [2] 41192 converting analysis.F back to 8-byte integer blas calls [3] 41194 converting orb_pop_kawai.F back to 8-byte integer blas calls [4] 41195 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting orb_pop_aorb.F back to 8-byte integer blas calls [1] 41237 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in cell_optimize /build/nwchem-6.8.1/src/config/32_to_64 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F back to 8-byte integer blas calls [1] 41677 converting stress_fd.F back to 8-byte integer blas calls [2] 41678 converting force_fd.F back to 8-byte integer blas calls [3] 41679 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in qmmm Making 32_to_64 in pspw_LJ /build/nwchem-6.8.1/src/config/32_to_64 pspw_LJ.F converting pspw_LJ.F back to 8-byte integer blas calls [1] 42725 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in pspw_Q /build/nwchem-6.8.1/src/config/32_to_64 pspw_Q.F converting pspw_Q.F back to 8-byte integer blas calls [1] 43216 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in pspw_Pair /build/nwchem-6.8.1/src/config/32_to_64 pspw_Pair.F converting pspw_Pair.F back to 8-byte integer blas calls [1] 43694 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in mmq /build/nwchem-6.8.1/src/config/32_to_64 mmq.F converting mmq.F back to 8-byte integer blas calls [1] 44180 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 pspw_qmmm.F converting pspw_qmmm.F back to 8-byte integer blas calls [1] 44183 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in charge /build/nwchem-6.8.1/src/config/32_to_64 pspw_charge.F pspw_cosmo.F converting pspw_charge.F back to 8-byte integer blas calls [1] 44716 converting pspw_cosmo.F back to 8-byte integer blas calls [2] 44717 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in dplot /build/nwchem-6.8.1/src/config/32_to_64 pspw_dplot.F ELF.F converting pspw_dplot.F back to 8-byte integer blas calls [1] 45164 converting ELF.F back to 8-byte integer blas calls [2] 45166 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in lcao /build/nwchem-6.8.1/src/config/32_to_64 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F converting lcao_diis_dn.F back to 8-byte integer blas calls [1] 45628 converting lcao_init_dn.F back to 8-byte integer blas calls [2] 45629 converting lcao_new_dn.F back to 8-byte integer blas calls [3] 45630 converting lcao_new_mix_dn.F back to 8-byte integer blas calls [4] 45631 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lcao_generate_vhxcmatrix.F back to 8-byte integer blas calls [1] 45640 converting lcao_diis.F back to 8-byte integer blas calls [2] 45641 converting lcaov1.F back to 8-byte integer blas calls [3] 45642 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary Making 32_to_64 in paw Making 32_to_64 in paw_geometry 32_to_64 : no conversion necessary Making 32_to_64 in paw_ma 32_to_64 : no conversion necessary Making 32_to_64 in paw_utils /build/nwchem-6.8.1/src/config/32_to_64 integrate.F converting integrate.F back to 8-byte integer blas calls [1] 47259 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_basis 32_to_64 : no conversion necessary Making 32_to_64 in paw_proj /build/nwchem-6.8.1/src/config/32_to_64 paw_proj.F converting paw_proj.F back to 8-byte integer blas calls [1] 48088 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_matrix 32_to_64 : no conversion necessary Making 32_to_64 in paw_ovlp /build/nwchem-6.8.1/src/config/32_to_64 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F back to 8-byte integer blas calls [1] 48927 converting paw_ovlp.F back to 8-byte integer blas calls [2] 48928 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_comp_charge 32_to_64 : no conversion necessary Making 32_to_64 in paw_special_functions 32_to_64 : no conversion necessary Making 32_to_64 in paw_gaunt 32_to_64 : no conversion necessary Making 32_to_64 in paw_kinetic 32_to_64 : no conversion necessary Making 32_to_64 in paw_vloc /build/nwchem-6.8.1/src/config/32_to_64 paw_vloc.F converting paw_vloc.F back to 8-byte integer blas calls [1] 51030 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_ion_potential 32_to_64 : no conversion necessary Making 32_to_64 in paw_core 32_to_64 : no conversion necessary Making 32_to_64 in paw_hartree /build/nwchem-6.8.1/src/config/32_to_64 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F back to 8-byte integer blas calls [1] 52255 converting paw_matrix_hartree.F back to 8-byte integer blas calls [2] 52256 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_comp_pot 32_to_64 : no conversion necessary Making 32_to_64 in paw_mult /build/nwchem-6.8.1/src/config/32_to_64 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F back to 8-byte integer blas calls [1] 53086 converting paw_mult_interaction.F back to 8-byte integer blas calls [2] 53087 converting paw_mult_energy.F back to 8-byte integer blas calls [3] 53088 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_nonlocal /build/nwchem-6.8.1/src/config/32_to_64 paw_nonlocal.F converting paw_nonlocal.F back to 8-byte integer blas calls [1] 53542 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_density /build/nwchem-6.8.1/src/config/32_to_64 paw_density.F converting paw_density.F back to 8-byte integer blas calls [1] 53987 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_xc /build/nwchem-6.8.1/src/config/32_to_64 paw_xc.F converting paw_xc.F back to 8-byte integer blas calls [1] 54454 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_force /build/nwchem-6.8.1/src/config/32_to_64 paw_force.F converting paw_force.F back to 8-byte integer blas calls [1] 54972 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_Grsm_list /build/nwchem-6.8.1/src/config/32_to_64 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F back to 8-byte integer blas calls [1] 55481 converting paw_lmbfgs.F back to 8-byte integer blas calls [2] 55483 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in paw_psi /build/nwchem-6.8.1/src/config/32_to_64 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F back to 8-byte integer blas calls [1] 55903 converting paw_geodesic.F back to 8-byte integer blas calls [2] 55904 converting paw_electron.F back to 8-byte integer blas calls [3] 55905 converting paw_psi2.F back to 8-byte integer blas calls [4] 55906 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cpsd /build/nwchem-6.8.1/src/config/32_to_64 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F back to 8-byte integer blas calls [1] 56380 converting paw_inner_loop.F back to 8-byte integer blas calls [2] 56381 converting paw_cpmd.F back to 8-byte integer blas calls [3] 56382 converting paw_inner_loop_md.F back to 8-byte integer blas calls [4] 56383 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cgsd /build/nwchem-6.8.1/src/config/32_to_64 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F back to 8-byte integer blas calls [1] 56862 converting paw_minimizer.F back to 8-byte integer blas calls [2] 56863 converting paw_cgsd_energy.F back to 8-byte integer blas calls [3] 56865 converting paw_cgminimize.F back to 8-byte integer blas calls [4] 56866 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cell_optimize /build/nwchem-6.8.1/src/config/32_to_64 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F back to 8-byte integer blas calls [1] 57336 converting paw_update_unitcell.F back to 8-byte integer blas calls [2] 57337 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary Making 32_to_64 in band Making 32_to_64 in minimizer /build/nwchem-6.8.1/src/config/32_to_64 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F back to 8-byte integer blas calls [1] 58193 converting c_cgsd_energy.F back to 8-byte integer blas calls [2] 58194 converting c_cgsd_energy_gradient.F back to 8-byte integer blas calls [3] 58195 converting c_bybminimize.F back to 8-byte integer blas calls [4] 58196 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_bybminimize2.F back to 8-byte integer blas calls [1] 58221 converting c_cgsd_energy_stress.F back to 8-byte integer blas calls [2] 58222 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in structure /build/nwchem-6.8.1/src/config/32_to_64 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F back to 8-byte integer blas calls [1] 58640 converting band_interpolate_structure.F back to 8-byte integer blas calls [2] 58641 converting band_kp_structure.F back to 8-byte integer blas calls [3] 58642 converting band_fft_structure.F back to 8-byte integer blas calls [4] 58643 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cpsd /build/nwchem-6.8.1/src/config/32_to_64 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F back to 8-byte integer blas calls [1] 59147 converting band_cpmd.F back to 8-byte integer blas calls [2] 59148 converting band_inner_loop.F back to 8-byte integer blas calls [3] 59149 converting band_inner_loop_md.F back to 8-byte integer blas calls [4] 59150 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cell_optimize /build/nwchem-6.8.1/src/config/32_to_64 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F back to 8-byte integer blas calls [1] 59601 converting band_update_unitcell.F back to 8-byte integer blas calls [2] 59602 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in kbpp /build/nwchem-6.8.1/src/config/32_to_64 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F back to 8-byte integer blas calls [1] 60016 converting kbpp_band_orb.F back to 8-byte integer blas calls [2] 60017 converting setup_kbpp_band.f back to 8-byte integer blas calls [3] 60018 converting integrate_kbpp_band_local.F back to 8-byte integer blas calls [4] 60019 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_nonlocal.F back to 8-byte integer blas calls [1] 60039 converting integrate_kbpp_band_orb.F back to 8-byte integer blas calls [2] 60040 converting kbpp_band_stress.F back to 8-byte integer blas calls [3] 60041 converting integrate_kbpp_band_stress_local.F back to 8-byte integer blas calls [4] 60042 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_stress_nonlocal.F back to 8-byte integer blas calls [1] 60059 converting HGH_band_local.F back to 8-byte integer blas calls [2] 60060 converting HGH_band_nonlocal.F back to 8-byte integer blas calls [3] 60061 converting Tesseral_band.F back to 8-byte integer blas calls [4] 60062 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting Spherical_band.F back to 8-byte integer blas calls [1] 60071 converting hghpp_band.F back to 8-byte integer blas calls [2] 60072 converting integrate_kbpp_band_ray.F back to 8-byte integer blas calls [3] 60073 converting integrate_kbpp_band_stress_ray.F back to 8-byte integer blas calls [4] 60074 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rkbpp_band.F back to 8-byte integer blas calls [1] 60103 converting integrate_kbpp_band_local_new.F back to 8-byte integer blas calls [2] 60104 converting integrate_kbpp_e_band_local_new.F back to 8-byte integer blas calls [3] 60105 converting integrate_kbpp_band_stress_local_new.F back to 8-byte integer blas calls [4] 60106 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_nonlocal_new.F back to 8-byte integer blas calls [1] 60155 converting integrate_kbpp_band_stress_nonlocal_new.F back to 8-byte integer blas calls [2] 60156 converting kbpp_e_band.F back to 8-byte integer blas calls [3] 60157 converting integrate_kbpp_e_band_nonlocal.F back to 8-byte integer blas calls [4] 60158 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_nonlocal_new.F back to 8-byte integer blas calls [1] 60183 converting integrate_kbpp_e_band_local.F back to 8-byte integer blas calls [2] 60184 converting integrate_kbpp_e_band_ray.F back to 8-byte integer blas calls [3] 60185 converting kbpp_e_band_stress.F back to 8-byte integer blas calls [4] 60186 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_stress_local.F back to 8-byte integer blas calls [1] 60216 converting integrate_kbpp_e_band_stress_local_new.F back to 8-byte integer blas calls [2] 60217 converting integrate_kbpp_e_band_stress_ray.F back to 8-byte integer blas calls [3] 60218 converting integrate_kbpp_e_band_stress_nonlocal.F back to 8-byte integer blas calls [4] 60219 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_stress_nonlocal_new.F back to 8-byte integer blas calls [1] 60245 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in makepsi /build/nwchem-6.8.1/src/config/32_to_64 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F converting pspw_reformat_c_wvfnc.F back to 8-byte integer blas calls [1] 60700 converting c_wvfnc_new.F back to 8-byte integer blas calls [2] 60701 converting c_wvfnc_expander.F back to 8-byte integer blas calls [3] 60702 converting c_v_wvfnc_new.F back to 8-byte integer blas calls [4] 60703 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in lib Making 32_to_64 in cpsp /build/nwchem-6.8.1/src/config/32_to_64 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F cpsp_U.F converting cpsp.F back to 8-byte integer blas calls [1] 61552 converting cpsp_stress.F back to 8-byte integer blas calls [2] 61553 converting c_semicore.F back to 8-byte integer blas calls [3] 61555 converting cpsp_projector.F back to 8-byte integer blas calls [4] 61556 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_semicore_force_a.F back to 8-byte integer blas calls [1] 61614 converting c_semicore_force_b.F back to 8-byte integer blas calls [2] 61615 converting cpsp_relativistic.F back to 8-byte integer blas calls [3] 61616 converting cpsp_U.F back to 8-byte integer blas calls [4] 61617 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ke /build/nwchem-6.8.1/src/config/32_to_64 cke.F converting cke.F back to 8-byte integer blas calls [1] 62055 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in coulomb /build/nwchem-6.8.1/src/config/32_to_64 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F back to 8-byte integer blas calls [1] 62477 converting c_coulomb_screened.F back to 8-byte integer blas calls [2] 62478 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in electron /build/nwchem-6.8.1/src/config/32_to_64 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F back to 8-byte integer blas calls [1] 62908 converting psi_lmbda.f back to 8-byte integer blas calls [2] 62909 converting cpsi_H.F back to 8-byte integer blas calls [3] 62910 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in psi /build/nwchem-6.8.1/src/config/32_to_64 cpsi.F c_geodesic.F cpsi_lmbda.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F converting cpsi.F back to 8-byte integer blas calls [1] 63361 converting c_geodesic.F back to 8-byte integer blas calls [2] 63362 converting cpsi_lmbda.F back to 8-byte integer blas calls [3] 63363 converting BGrsm.F back to 8-byte integer blas calls [4] 63364 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cpsi_KS.F back to 8-byte integer blas calls [1] 63437 converting cpsi_read.F back to 8-byte integer blas calls [2] 63438 converting cpsi_write.F back to 8-byte integer blas calls [3] 63439 converting v_cpsi_read.F back to 8-byte integer blas calls [4] 63440 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting v_cpsi_write.F back to 8-byte integer blas calls [1] 63506 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in hfx /build/nwchem-6.8.1/src/config/32_to_64 band_hfx.F converting band_hfx.F back to 8-byte integer blas calls [1] 63937 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in Grsm_list /build/nwchem-6.8.1/src/config/32_to_64 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F back to 8-byte integer blas calls [1] 64448 converting band_lmbfgs.F back to 8-byte integer blas calls [2] 64449 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in borbs /build/nwchem-6.8.1/src/config/32_to_64 borbs.F borb_projector.F converting borbs.F back to 8-byte integer blas calls [1] 64868 converting borb_projector.F back to 8-byte integer blas calls [2] 64869 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary Making 32_to_64 in dplot /build/nwchem-6.8.1/src/config/32_to_64 band_dplot.F converting band_dplot.F back to 8-byte integer blas calls [1] 65305 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in analysis /build/nwchem-6.8.1/src/config/32_to_64 band_analysis.F orb_pop_borb.F converting band_analysis.F back to 8-byte integer blas calls [1] 583 converting orb_pop_borb.F back to 8-byte integer blas calls [2] 584 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary Making 32_to_64 in ofpw Making 32_to_64 in minimizer /build/nwchem-6.8.1/src/config/32_to_64 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F back to 8-byte integer blas calls [1] 1464 converting ofpw_cgsd_energy.F back to 8-byte integer blas calls [2] 1465 converting ofpw_cgminimize.F back to 8-byte integer blas calls [3] 1466 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cpsd /build/nwchem-6.8.1/src/config/32_to_64 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F back to 8-byte integer blas calls [1] 1902 converting inner_loop_ofpw.F back to 8-byte integer blas calls [2] 1903 converting chi_lmbda.f back to 8-byte integer blas calls [3] 1904 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in lib Making 32_to_64 in chi 32_to_64 : no conversion necessary Making 32_to_64 in electron /build/nwchem-6.8.1/src/config/32_to_64 chi_H.F chi_Hv4.F converting chi_H.F back to 8-byte integer blas calls [1] 3414 converting chi_Hv4.F back to 8-byte integer blas calls [2] 3415 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ke /build/nwchem-6.8.1/src/config/32_to_64 v_thomasfermi.F converting v_thomasfermi.F back to 8-byte integer blas calls [1] 4019 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in WGC /build/nwchem-6.8.1/src/config/32_to_64 wgc.F converting wgc.F back to 8-byte integer blas calls [1] 4752 [1] Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary Making 32_to_64 in pfft1.0 Making 32_to_64 in fftpack 32_to_64 : no conversion necessary Making 32_to_64 in pfft /build/nwchem-6.8.1/src/config/32_to_64 drain.F fillup.F converting drain.F back to 8-byte integer blas calls [1] 7603 converting fillup.F back to 8-byte integer blas calls [2] 7604 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary Making 32_to_64 in pfftwrap 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 nwc_gen.F nwc_s2.F nwc_s1.F converting nwc_gen.F back to 8-byte integer blas calls [1] 12454 converting nwc_s2.F back to 8-byte integer blas calls [2] 12455 converting nwc_s1.F back to 8-byte integer blas calls [3] 12456 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 vscf.F converting vscf.F back to 8-byte integer blas calls [1] 12894 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 task_qmmm_gradient.F qmmm_lbfgsb.F mm_interface.F converting task_qmmm_gradient.F back to 8-byte integer blas calls [1] 13261 converting qmmm_lbfgsb.F back to 8-byte integer blas calls [2] 13262 converting mm_interface.F back to 8-byte integer blas calls [3] 13263 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 et_dgefa.F converting et_dgefa.F back to 8-byte integer blas calls [1] 14004 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in include 32_to_64 : no conversion necessary Making 32_to_64 in diis /build/nwchem-6.8.1/src/config/32_to_64 tce_diis.F converting tce_diis.F back to 8-byte integer blas calls [1] 15106 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in diis2 /build/nwchem-6.8.1/src/config/32_to_64 tce_diis2.F converting tce_diis2.F back to 8-byte integer blas calls [1] 15475 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in gradients /build/nwchem-6.8.1/src/config/32_to_64 ccsd_1pdm_hh_mo.F ccsd_1pdm_pp_mo.F ccsd_1pdm_hp_mo.F ccsd_1pdm_ph_mo.F ccsd_2pdm_hhhh_mo.F ccsd_2pdm_hhhp_mo.F ccsd_2pdm_hhpp_mo.F ccsd_2pdm_hphh_mo.F ccsd_2pdm_hphp_mo.F ccsd_2pdm_hppp_mo.F ccsd_2pdm_pphh_mo.F ccsd_2pdm_pphp_mo.F ccsd_2pdm_pppp_mo.F zvec_x_a_a.F zvec_x_a_b_a.F zvec_x_a_b_b.F zvec_x_a_c_a.F zvec_x_a_c_b.F zvec_x_a_d.F zvec_x_a_e_a.F zvec_x_a_e_b.F zvec_x_a_f_a.F zvec_x_a_f_b.F zvec_x_b_a_a.F zvec_x_b_a_b.F zvec_x_b_b_a.F zvec_x_b_b_b.F zvec_x_b_c.F zvec_x_b_d_a.F zvec_x_b_d_b.F zvec_x_b_e_a.F zvec_x_b_e_b.F zvec_x_b_f.F zvec_x_c_a.F zvec_x_c_b.F ccsd_zvec.F wdm_hh_mo_a.F wdm_hh_mo_b_a_a.F wdm_hh_mo_b_a_b.F wdm_hh_mo_b_b_a.F wdm_hh_mo_b_b_b.F wdm_hh_mo_c_a.F wdm_hh_mo_c_b_a.F wdm_hh_mo_c_b_b.F wdm_hh_mo_c_c_a.F wdm_hh_mo_c_c_b.F wdm_hh_mo_c_d.F wdm_hh_mo_c_e_a.F wdm_hh_mo_c_e_b.F wdm_hh_mo_c_f_a.F wdm_hh_mo_c_f_b.F wdm_hh_mo_d.F wdm_hp_mo_a.F wdm_hp_mo_b_a_a.F wdm_hp_mo_b_a_b.F wdm_hp_mo_b_b_a.F wdm_hp_mo_b_b_b.F wdm_hp_mo_b_c.F wdm_hp_mo_b_d_a.F wdm_hp_mo_b_d_b.F wdm_hp_mo_b_e_a.F wdm_hp_mo_b_e_b.F wdm_hp_mo_b_f.F wdm_hp_mo_c.F wdm_pp_mo_a.F wdm_pp_mo_b_a_a.F wdm_pp_mo_b_a_b.F wdm_pp_mo_b_b_a.F wdm_pp_mo_b_b_b.F wdm_pp_mo_b_c.F wdm_pp_mo_b_d_a.F wdm_pp_mo_b_d_b.F wdm_pp_mo_b_e_a.F wdm_pp_mo_b_e_b.F wdm_pp_mo_b_f.F eomccsd_1pdm_hh_mo.F eomccsd_1pdm_pp_mo.F tce_eomccsd_1prdm.F eomccsd_2pdm_hhhh_mo.F eomccsd_2pdm_hhhp_mo.F eomccsd_2pdm_hhpp_mo.F eomccsd_2pdm_hphh_mo.F eomccsd_2pdm_hphp_mo.F eomccsd_2pdm_hppp_mo.F eomccsd_2pdm_pphh_mo.F eomccsd_2pdm_pphp_mo.F eomccsd_2pdm_pppp_mo.F eomccsd_z1.F eomccsd_z2.F eomccsd_2pdm_pphh_zvec_mo.F eomccsd_1pdm_hp_mo.F eomccsd_1pdm_ph_mo.F eomccsd_x1_grad.F eomccsd_x2_grad.F tce_eom_xdiagon_grad.F tce_cisdt_denominator.F cisdtq_2pdm_hhhh_mo.F cisdtq_2pdm_hphp_mo.F cisdtq_2pdm_hppp_mo.F cisdtq_2pdm_pphp_mo.F cisdtq_2pdm_pppp_mo.F mp4_1pdm_pp_mo_III_b.F tce_cis_denominator.F cisd_1pdm_hh_mo.F ccsdt_2pdm_hphh_mo.F ccsdt_2pdm_hhhp_mo.F mp3_1pdm_hh_mo.F ccsdt_2pdm_pphh_mo.F tce_cisdtq_denominator.F tce_mp4_t24.F cis_x1.F cisd_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_II.F cisd_2pdm_hphp_mo.F cisdtq_1pdm_hh_mo.F cisd_2pdm_hppp_mo.F cisd_2pdm_pphp_mo.F cis_1pdm_pp_mo.F cisd_2pdm_pppp_mo.F ccsdt_1pdm_pp_mo.F cisdt_1pdm_pp_mo.F mp4_2pdm_hphh_mo.F mp2_1pdm_hh_mo.F mp4_2pdm_pphh_mo.F ccsdtq_2pdm_hphh_mo.F ccsdtq_2pdm_hhhp_mo.F cis_2pdm_hphp_mo.F tce_cisd_denominator.F ccsdtq_2pdm_pphh_mo.F cisdt_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_III_a.F ccsdtq_1pdm_pp_mo.F cisdt_2pdm_hphp_mo.F btrans1.F cisdt_2pdm_hppp_mo.F cisdt_2pdm_pphp_mo.F cisdt_2pdm_pppp_mo.F cisdtq_2pdm_hphh_mo.F cisdtq_2pdm_hhhp_mo.F wdm_hp_mo_b_d_a.F cisdtq_2pdm_pphh_mo.F cisdtq_2pdm_hhpp_mo.F mp4_1pdm_hh_mo_III_b.F btrans2.F ccsdt_2pdm_hhhh_mo.F wdm_hp_mo_b_d_b.F ccsdt_2pdm_hphp_mo.F cisd_1pdm_pp_mo.F ccsdt_2pdm_hppp_mo.F ccsdt_2pdm_pphp_mo.F mp3_1pdm_pp_mo.F ccsdt_2pdm_pppp_mo.F tce_mp2_norm.F cisd_2pdm_hphh_mo.F cisd_2pdm_hhhp_mo.F cis_1pdm_hh_mo.F cisd_2pdm_pphh_mo.F cisd_2pdm_hhpp_mo.F wdm_hp_mo_b_e_a.F ccsdt_1pdm_hh_mo.F mp4_1pdm_pp_mo_II.F cisdt_1pdm_hh_mo.F cisdtq_1pdm_pp_mo.F ccsdt_1pdm_ph_mo.F mp4_2pdm_hhhh_mo.F cis_xdiagon.F mp4_2pdm_hphp_mo.F ccsdtq_2pdm_hhhh_mo.F mp4_2pdm_pphp_mo.F mp2_1pdm_pp_mo.F mp3_2pdm_hhhh_mo.F ccsdtq_1pdm_hh_mo.F mp4_2pdm_pppp_mo.F ccsdtq_2pdm_hphp_mo.F wdm_hp_mo_b_e_b.F ccsdtq_1pdm_ph_mo.F ccsdtq_2pdm_hppp_mo.F ccsdtq_2pdm_pphp_mo.F cisdt_2pdm_hphh_mo.F cisdt_2pdm_hhhp_mo.F mp3_2pdm_hphp_mo.F ccsdtq_2pdm_pppp_mo.F cisdt_2pdm_pphh_mo.F cisdt_2pdm_hhpp_mo.F mp4_1pdm_pp_mo_III_a.F mp3_2pdm_pppp_mo.F converting ccsd_1pdm_hh_mo.F back to 8-byte integer blas calls [1] 15841 converting ccsd_1pdm_pp_mo.F back to 8-byte integer blas calls [2] 15842 converting ccsd_1pdm_hp_mo.F back to 8-byte integer blas calls [3] 15843 converting ccsd_1pdm_ph_mo.F back to 8-byte integer blas calls [4] 15844 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_2pdm_hhhh_mo.F back to 8-byte integer blas calls [1] 15845 converting ccsd_2pdm_hhhp_mo.F back to 8-byte integer blas calls [2] 15846 converting ccsd_2pdm_hhpp_mo.F back to 8-byte integer blas calls [3] 15847 converting ccsd_2pdm_hphh_mo.F back to 8-byte integer blas calls [4] 15848 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_2pdm_hphp_mo.F back to 8-byte integer blas calls [1] 15851 converting ccsd_2pdm_hppp_mo.F back to 8-byte integer blas calls [2] 15852 converting ccsd_2pdm_pphh_mo.F back to 8-byte integer blas calls [3] 15853 converting ccsd_2pdm_pphp_mo.F back to 8-byte integer blas calls [4] 15854 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_2pdm_pppp_mo.F back to 8-byte integer blas calls [1] 16944 converting zvec_x_a_a.F back to 8-byte integer blas calls [2] 16945 converting zvec_x_a_b_a.F back to 8-byte integer blas calls [3] 16946 converting zvec_x_a_b_b.F back to 8-byte integer blas calls [4] 16947 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_a_c_a.F back to 8-byte integer blas calls [1] 16948 converting zvec_x_a_c_b.F back to 8-byte integer blas calls [2] 16949 converting zvec_x_a_d.F back to 8-byte integer blas calls [3] 16950 converting zvec_x_a_e_a.F back to 8-byte integer blas calls [4] 16951 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_a_e_b.F back to 8-byte integer blas calls [1] 16954 converting zvec_x_a_f_a.F back to 8-byte integer blas calls [2] 16955 converting zvec_x_a_f_b.F back to 8-byte integer blas calls [3] 16956 converting zvec_x_b_a_a.F back to 8-byte integer blas calls [4] 16957 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_b_a_b.F back to 8-byte integer blas calls [1] 16958 converting zvec_x_b_b_a.F back to 8-byte integer blas calls [2] 16959 converting zvec_x_b_b_b.F back to 8-byte integer blas calls [3] 16960 converting zvec_x_b_c.F back to 8-byte integer blas calls [4] 16961 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_b_d_a.F back to 8-byte integer blas calls [1] 16962 converting zvec_x_b_d_b.F back to 8-byte integer blas calls [2] 16963 converting zvec_x_b_e_a.F back to 8-byte integer blas calls [3] 16964 converting zvec_x_b_e_b.F back to 8-byte integer blas calls [4] 16965 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting zvec_x_b_f.F back to 8-byte integer blas calls [1] 16968 converting zvec_x_c_a.F back to 8-byte integer blas calls [2] 16969 converting zvec_x_c_b.F back to 8-byte integer blas calls [3] 16970 converting ccsd_zvec.F back to 8-byte integer blas calls [4] 16971 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_a.F back to 8-byte integer blas calls [1] 17301 converting wdm_hh_mo_b_a_a.F back to 8-byte integer blas calls [2] 17302 converting wdm_hh_mo_b_a_b.F back to 8-byte integer blas calls [3] 17303 converting wdm_hh_mo_b_b_a.F back to 8-byte integer blas calls [4] 17304 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_b_b_b.F back to 8-byte integer blas calls [1] 17412 converting wdm_hh_mo_c_a.F back to 8-byte integer blas calls [2] 17413 converting wdm_hh_mo_c_b_a.F back to 8-byte integer blas calls [3] 17415 converting wdm_hh_mo_c_b_b.F back to 8-byte integer blas calls [4] 17416 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_c_c_a.F back to 8-byte integer blas calls [1] 17597 converting wdm_hh_mo_c_c_b.F back to 8-byte integer blas calls [2] 17598 converting wdm_hh_mo_c_d.F back to 8-byte integer blas calls [3] 17599 converting wdm_hh_mo_c_e_a.F back to 8-byte integer blas calls [4] 17600 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hh_mo_c_e_b.F back to 8-byte integer blas calls [1] 17753 converting wdm_hh_mo_c_f_a.F back to 8-byte integer blas calls [2] 17754 converting wdm_hh_mo_c_f_b.F back to 8-byte integer blas calls [3] 17755 converting wdm_hh_mo_d.F back to 8-byte integer blas calls [4] 17756 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hp_mo_a.F back to 8-byte integer blas calls [1] 17880 converting wdm_hp_mo_b_a_a.F back to 8-byte integer blas calls [2] 17881 converting wdm_hp_mo_b_a_b.F back to 8-byte integer blas calls [3] 17882 converting wdm_hp_mo_b_b_a.F back to 8-byte integer blas calls [4] 17883 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hp_mo_b_b_b.F back to 8-byte integer blas calls [1] 17921 converting wdm_hp_mo_b_c.F back to 8-byte integer blas calls [2] 17922 converting wdm_hp_mo_b_d_a.F back to 8-byte integer blas calls [3] 17923 converting wdm_hp_mo_b_d_b.F back to 8-byte integer blas calls [4] 17924 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_hp_mo_b_e_a.F back to 8-byte integer blas calls [1] 17948 converting wdm_hp_mo_b_e_b.F back to 8-byte integer blas calls [2] 17949 converting wdm_hp_mo_b_f.F back to 8-byte integer blas calls [3] 17950 converting wdm_hp_mo_c.F back to 8-byte integer blas calls [4] 17951 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_pp_mo_a.F back to 8-byte integer blas calls [1] 17965 converting wdm_pp_mo_b_a_a.F back to 8-byte integer blas calls [2] 17966 converting wdm_pp_mo_b_a_b.F back to 8-byte integer blas calls [3] 17967 converting wdm_pp_mo_b_b_a.F back to 8-byte integer blas calls [4] 17968 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_pp_mo_b_b_b.F back to 8-byte integer blas calls [1] 18002 converting wdm_pp_mo_b_c.F back to 8-byte integer blas calls [2] 18003 converting wdm_pp_mo_b_d_a.F back to 8-byte integer blas calls [3] 18004 converting wdm_pp_mo_b_d_b.F back to 8-byte integer blas calls [4] 18006 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wdm_pp_mo_b_e_a.F back to 8-byte integer blas calls [1] 18240 converting wdm_pp_mo_b_e_b.F back to 8-byte integer blas calls [2] 18241 converting wdm_pp_mo_b_f.F back to 8-byte integer blas calls [3] 18242 converting eomccsd_1pdm_hh_mo.F back to 8-byte integer blas calls [4] 18243 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_1pdm_pp_mo.F back to 8-byte integer blas calls [1] 18503 converting tce_eomccsd_1prdm.F back to 8-byte integer blas calls [2] 18504 converting eomccsd_2pdm_hhhh_mo.F back to 8-byte integer blas calls [3] 18505 converting eomccsd_2pdm_hhhp_mo.F back to 8-byte integer blas calls [4] 18506 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_2pdm_hhpp_mo.F back to 8-byte integer blas calls [1] 18766 converting eomccsd_2pdm_hphh_mo.F back to 8-byte integer blas calls [2] 18767 converting eomccsd_2pdm_hphp_mo.F back to 8-byte integer blas calls [3] 18768 converting eomccsd_2pdm_hppp_mo.F back to 8-byte integer blas calls [4] 18769 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_2pdm_pphh_mo.F back to 8-byte integer blas calls [1] 19095 converting eomccsd_2pdm_pphp_mo.F back to 8-byte integer blas calls [2] 19096 converting eomccsd_2pdm_pppp_mo.F back to 8-byte integer blas calls [3] 19097 converting eomccsd_z1.F back to 8-byte integer blas calls [4] 19098 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_z2.F back to 8-byte integer blas calls [1] 23024 converting eomccsd_2pdm_pphh_zvec_mo.F back to 8-byte integer blas calls [2] 23025 converting eomccsd_1pdm_hp_mo.F back to 8-byte integer blas calls [3] 23026 converting eomccsd_1pdm_ph_mo.F back to 8-byte integer blas calls [4] 23027 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_x1_grad.F back to 8-byte integer blas calls [1] 30938 converting eomccsd_x2_grad.F back to 8-byte integer blas calls [2] 30939 converting tce_eom_xdiagon_grad.F back to 8-byte integer blas calls [3] 30940 converting tce_cisdt_denominator.F back to 8-byte integer blas calls [4] 30941 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_2pdm_hhhh_mo.F back to 8-byte integer blas calls [1] 33753 converting cisdtq_2pdm_hphp_mo.F back to 8-byte integer blas calls [2] 33754 converting cisdtq_2pdm_hppp_mo.F back to 8-byte integer blas calls [3] 33755 converting cisdtq_2pdm_pphp_mo.F back to 8-byte integer blas calls [4] 33756 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_2pdm_pppp_mo.F back to 8-byte integer blas calls [1] 33852 converting mp4_1pdm_pp_mo_III_b.F back to 8-byte integer blas calls [2] 33853 converting tce_cis_denominator.F back to 8-byte integer blas calls [3] 33854 converting cisd_1pdm_hh_mo.F back to 8-byte integer blas calls [4] 33855 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_2pdm_hphh_mo.F back to 8-byte integer blas calls [1] 33943 converting ccsdt_2pdm_hhhp_mo.F back to 8-byte integer blas calls [2] 33944 converting mp3_1pdm_hh_mo.F back to 8-byte integer blas calls [3] 33945 converting ccsdt_2pdm_pphh_mo.F back to 8-byte integer blas calls [4] 33946 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_cisdtq_denominator.F back to 8-byte integer blas calls [1] 34888 converting tce_mp4_t24.F back to 8-byte integer blas calls [2] 34889 converting cis_x1.F back to 8-byte integer blas calls [3] 34890 converting cisd_2pdm_hhhh_mo.F back to 8-byte integer blas calls [4] 34891 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_1pdm_hh_mo_II.F back to 8-byte integer blas calls [1] 35008 converting cisd_2pdm_hphp_mo.F back to 8-byte integer blas calls [2] 35009 converting cisdtq_1pdm_hh_mo.F back to 8-byte integer blas calls [3] 35010 converting cisd_2pdm_hppp_mo.F back to 8-byte integer blas calls [4] 35011 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisd_2pdm_pphp_mo.F back to 8-byte integer blas calls [1] 35087 converting cis_1pdm_pp_mo.F back to 8-byte integer blas calls [2] 35088 converting cisd_2pdm_pppp_mo.F back to 8-byte integer blas calls [3] 35089 converting ccsdt_1pdm_pp_mo.F back to 8-byte integer blas calls [4] 35090 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdt_1pdm_pp_mo.F back to 8-byte integer blas calls [1] 35121 converting mp4_2pdm_hphh_mo.F back to 8-byte integer blas calls [2] 35122 converting mp2_1pdm_hh_mo.F back to 8-byte integer blas calls [3] 35123 converting mp4_2pdm_pphh_mo.F back to 8-byte integer blas calls [4] 35124 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_2pdm_hphh_mo.F back to 8-byte integer blas calls [1] 35265 converting ccsdtq_2pdm_hhhp_mo.F back to 8-byte integer blas calls [2] 35266 converting cis_2pdm_hphp_mo.F back to 8-byte integer blas calls [3] 35267 converting tce_cisd_denominator.F back to 8-byte integer blas calls [4] 35268 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_2pdm_pphh_mo.F back to 8-byte integer blas calls [1] 37679 converting cisdt_2pdm_hhhh_mo.F back to 8-byte integer blas calls [2] 37680 converting mp4_1pdm_hh_mo_III_a.F back to 8-byte integer blas calls [3] 37681 converting ccsdtq_1pdm_pp_mo.F back to 8-byte integer blas calls [4] 37682 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdt_2pdm_hphp_mo.F back to 8-byte integer blas calls [1] 41323 converting btrans1.F back to 8-byte integer blas calls [2] 41324 converting cisdt_2pdm_hppp_mo.F back to 8-byte integer blas calls [3] 41325 converting cisdt_2pdm_pphp_mo.F back to 8-byte integer blas calls [4] 41326 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdt_2pdm_pppp_mo.F back to 8-byte integer blas calls [1] 41376 converting cisdtq_2pdm_hphh_mo.F back to 8-byte integer blas calls [2] 41377 converting cisdtq_2pdm_hhhp_mo.F back to 8-byte integer blas calls [3] 41379 converting wdm_hp_mo_b_d_a.F back to 8-byte integer blas calls [4] 41380 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_2pdm_pphh_mo.F back to 8-byte integer blas calls [1] 41436 converting cisdtq_2pdm_hhpp_mo.F back to 8-byte integer blas calls [2] 41438 converting mp4_1pdm_hh_mo_III_b.F back to 8-byte integer blas calls [3] 41439 converting btrans2.F back to 8-byte integer blas calls [4] 41440 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_2pdm_hhhh_mo.F back to 8-byte integer blas calls [1] 41745 converting wdm_hp_mo_b_d_b.F back to 8-byte integer blas calls [2] 41746 converting ccsdt_2pdm_hphp_mo.F back to 8-byte integer blas calls [3] 41747 converting cisd_1pdm_pp_mo.F back to 8-byte integer blas calls [4] 41749 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_2pdm_hppp_mo.F back to 8-byte integer blas calls [1] 42110 converting ccsdt_2pdm_pphp_mo.F back to 8-byte integer blas calls [2] 42111 converting mp3_1pdm_pp_mo.F back to 8-byte integer blas calls [3] 42112 converting ccsdt_2pdm_pppp_mo.F back to 8-byte integer blas calls [4] 42113 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mp2_norm.F back to 8-byte integer blas calls [1] 42431 converting cisd_2pdm_hphh_mo.F back to 8-byte integer blas calls [2] 42432 converting cisd_2pdm_hhhp_mo.F back to 8-byte integer blas calls [3] 42433 converting cis_1pdm_hh_mo.F back to 8-byte integer blas calls [4] 42434 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisd_2pdm_pphh_mo.F back to 8-byte integer blas calls [1] 42448 converting cisd_2pdm_hhpp_mo.F back to 8-byte integer blas calls [2] 42449 converting wdm_hp_mo_b_e_a.F back to 8-byte integer blas calls [3] 42450 converting ccsdt_1pdm_hh_mo.F back to 8-byte integer blas calls [4] 42451 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_1pdm_pp_mo_II.F back to 8-byte integer blas calls [1] 42466 converting cisdt_1pdm_hh_mo.F back to 8-byte integer blas calls [2] 42467 converting cisdtq_1pdm_pp_mo.F back to 8-byte integer blas calls [3] 42468 converting ccsdt_1pdm_ph_mo.F back to 8-byte integer blas calls [4] 42469 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_2pdm_hhhh_mo.F back to 8-byte integer blas calls [1] 42543 converting cis_xdiagon.F back to 8-byte integer blas calls [2] 42544 converting mp4_2pdm_hphp_mo.F back to 8-byte integer blas calls [3] 42545 converting ccsdtq_2pdm_hhhh_mo.F back to 8-byte integer blas calls [4] 42546 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_2pdm_pphp_mo.F back to 8-byte integer blas calls [1] 42743 converting mp2_1pdm_pp_mo.F back to 8-byte integer blas calls [2] 42745 converting mp3_2pdm_hhhh_mo.F back to 8-byte integer blas calls [3] 42746 converting ccsdtq_1pdm_hh_mo.F back to 8-byte integer blas calls [4] 42747 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_2pdm_pppp_mo.F back to 8-byte integer blas calls [1] 42783 converting ccsdtq_2pdm_hphp_mo.F back to 8-byte integer blas calls [2] 42784 converting wdm_hp_mo_b_e_b.F back to 8-byte integer blas calls [3] 42785 converting ccsdtq_1pdm_ph_mo.F back to 8-byte integer blas calls [4] 42786 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_2pdm_hppp_mo.F back to 8-byte integer blas calls [1] 43031 converting ccsdtq_2pdm_pphp_mo.F back to 8-byte integer blas calls [2] 43032 converting cisdt_2pdm_hphh_mo.F back to 8-byte integer blas calls [3] 43033 converting cisdt_2pdm_hhhp_mo.F back to 8-byte integer blas calls [4] 43035 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp3_2pdm_hphp_mo.F back to 8-byte integer blas calls [1] 44695 converting ccsdtq_2pdm_pppp_mo.F back to 8-byte integer blas calls [2] 44696 converting cisdt_2pdm_pphh_mo.F back to 8-byte integer blas calls [3] 44697 converting cisdt_2pdm_hhpp_mo.F back to 8-byte integer blas calls [4] 44698 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp4_1pdm_pp_mo_III_a.F back to 8-byte integer blas calls [1] 45183 converting mp3_2pdm_pppp_mo.F back to 8-byte integer blas calls [2] 45185 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsd /build/nwchem-6.8.1/src/config/32_to_64 ccsd_e.F ccsd_t1.F ccsd_t2.F cc2_t1.F cc2_t2.F ccsd_1prdm_hh.F ccsd_1prdm_hp.F ccsd_1prdm_ph.F ccsd_1prdm_pp.F ccsd_1prdm.F icsd_t1.F icsd_t2.F ccsd_t2_8.F converting ccsd_e.F back to 8-byte integer blas calls [1] 45839 converting ccsd_t1.F back to 8-byte integer blas calls [2] 45841 converting ccsd_t2.F back to 8-byte integer blas calls [3] 45842 converting cc2_t1.F back to 8-byte integer blas calls [4] 45843 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cc2_t2.F back to 8-byte integer blas calls [1] 47087 converting ccsd_1prdm_hh.F back to 8-byte integer blas calls [2] 47088 converting ccsd_1prdm_hp.F back to 8-byte integer blas calls [3] 47089 converting ccsd_1prdm_ph.F back to 8-byte integer blas calls [4] 47090 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_1prdm_pp.F back to 8-byte integer blas calls [1] 47981 converting ccsd_1prdm.F back to 8-byte integer blas calls [2] 47982 converting icsd_t1.F back to 8-byte integer blas calls [3] 47983 converting icsd_t2.F back to 8-byte integer blas calls [4] 47984 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_t2_8.F back to 8-byte integer blas calls [1] 48943 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsd_lambda /build/nwchem-6.8.1/src/config/32_to_64 ccsd_density1.F ccsd_lambda1_1.F ccsd_lambda1_2.F ccsd_lambda2.F ccsd_lambda1_mod.F converting ccsd_density1.F back to 8-byte integer blas calls [1] 50111 converting ccsd_lambda1_1.F back to 8-byte integer blas calls [2] 50112 converting ccsd_lambda1_2.F back to 8-byte integer blas calls [3] 50113 converting ccsd_lambda2.F back to 8-byte integer blas calls [4] 50114 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_lambda1_mod.F back to 8-byte integer blas calls [1] 51895 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in eomccsd /build/nwchem-6.8.1/src/config/32_to_64 eomccsd_x1.F eomccsd_x2.F eomccsd_y1.F eomccsd_y2.F eomccsd_denominator.F eomccsd_density1.F cc2_x1.F cc2_x2.F eomccsd_1prdm_hh.F eomccsd_1prdm_hp.F eomccsd_1prdm_ph.F eomccsd_1prdm_pp.F eomccsd_1prdm.F eomccsd_x1_old.F eomccsd_x2_old.F eomicsd_x1.F eomicsd_x2.F converting eomccsd_x1.F back to 8-byte integer blas calls [1] 53255 converting eomccsd_x2.F back to 8-byte integer blas calls [2] 53256 converting eomccsd_y1.F back to 8-byte integer blas calls [3] 53257 converting eomccsd_y2.F back to 8-byte integer blas calls [4] 53258 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_denominator.F back to 8-byte integer blas calls [1] 53858 converting eomccsd_density1.F back to 8-byte integer blas calls [2] 53859 converting cc2_x1.F back to 8-byte integer blas calls [3] 53860 converting cc2_x2.F back to 8-byte integer blas calls [4] 53861 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_1prdm_hh.F back to 8-byte integer blas calls [1] 54087 converting eomccsd_1prdm_hp.F back to 8-byte integer blas calls [2] 54088 converting eomccsd_1prdm_ph.F back to 8-byte integer blas calls [3] 54089 converting eomccsd_1prdm_pp.F back to 8-byte integer blas calls [4] 54090 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsd_1prdm.F back to 8-byte integer blas calls [1] 54185 converting eomccsd_x1_old.F back to 8-byte integer blas calls [2] 54186 converting eomccsd_x2_old.F back to 8-byte integer blas calls [3] 54187 converting eomicsd_x1.F back to 8-byte integer blas calls [4] 54188 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomicsd_x2.F back to 8-byte integer blas calls [1] 54531 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsd_t /build/nwchem-6.8.1/src/config/32_to_64 ccsd_t_doubles.F ccsd_t_singles.F ccsd_t_doubles_l.F ccsd_t_singles_l.F lambda_ccsd_t_left.F ccsd2_q_left.F ccsd2_q_right.F ccsd2_t_left.F ccsdt2_q_left.F ccsdt2_q_right.F cr_ccsd_t_D.F cr_ccsd_t_E.F cr_ccsd_t_N.F lr_ccsd_tq.F cr_qcisd_t.F m2_dot_m1t1.F ccsd_t_singles_l_6dts.F ccsd_t_doubles_l_6dts.F ccsd_t.F converting ccsd_t_doubles.F back to 8-byte integer blas calls [1] 55309 converting ccsd_t_singles.F back to 8-byte integer blas calls [2] 55310 converting ccsd_t_doubles_l.F back to 8-byte integer blas calls [3] 55311 converting ccsd_t_singles_l.F back to 8-byte integer blas calls [4] 55312 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lambda_ccsd_t_left.F back to 8-byte integer blas calls [1] 55335 converting ccsd2_q_left.F back to 8-byte integer blas calls [2] 55336 converting ccsd2_q_right.F back to 8-byte integer blas calls [3] 55337 converting ccsd2_t_left.F back to 8-byte integer blas calls [4] 55338 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt2_q_left.F back to 8-byte integer blas calls [1] 55438 converting ccsdt2_q_right.F back to 8-byte integer blas calls [2] 55439 converting cr_ccsd_t_D.F back to 8-byte integer blas calls [3] 55440 converting cr_ccsd_t_E.F back to 8-byte integer blas calls [4] 55441 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_ccsd_t_N.F back to 8-byte integer blas calls [1] 55788 converting lr_ccsd_tq.F back to 8-byte integer blas calls [2] 55789 converting cr_qcisd_t.F back to 8-byte integer blas calls [3] 55790 converting m2_dot_m1t1.F back to 8-byte integer blas calls [4] 55791 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_t_singles_l_6dts.F back to 8-byte integer blas calls [1] 56457 converting ccsd_t_doubles_l_6dts.F back to 8-byte integer blas calls [2] 56458 converting ccsd_t.F back to 8-byte integer blas calls [3] 56459 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cr-eomccsd_t /build/nwchem-6.8.1/src/config/32_to_64 c1_c1.F c2_c2.F c2excit2.F cr_eomccsd_t_n2_1_1_2_2.F cr_eomccsd_t_n2_1_1_2.F cr_eomccsd_t_n2_1_1_3.F cr_eomccsd_t_n2_1_1.F cr_eomccsd_t_n2_1_2.F cr_eomccsd_t_n2_1_3_1.F cr_eomccsd_t_n2_1_3_2_1.F cr_eomccsd_t_n2_1_3_2.F cr_eomccsd_t_n2_1_3_3.F cr_eomccsd_t_n2_1_3.F cr_eomccsd_t_n2_1_4_1.F cr_eomccsd_t_n2_1_4.F cr_eomccsd_t_n2_1_5_1.F cr_eomccsd_t_n2_1_5.F cr_eomccsd_t_n2_1_6_1.F cr_eomccsd_t_n2_1_6.F cr_eomccsd_t_n2_1_7_2.F cr_eomccsd_t_n2_1_7.F cr_eomccsd_t_n2_1_8_2.F cr_eomccsd_t_n2_1_8.F cr_eomccsd_t_n2_1_9.F cr_eomccsd_t_n2_1.F cr_eomccsd_t_n2_2_1_2.F cr_eomccsd_t_n2_2_1_3.F cr_eomccsd_t_n2_2_1_4.F cr_eomccsd_t_n2_2_1.F cr_eomccsd_t_n2_2.F cr_eomccsd_t_n2_3_1.F cr_eomccsd_t_n2_3_2_1.F cr_eomccsd_t_n2_3_2.F cr_eomccsd_t_n2_3_3_2.F cr_eomccsd_t_n2_3_3.F cr_eomccsd_t_n2_3_4.F cr_eomccsd_t_n2_3.F cr_eomccsd_t_n2_4_1_1.F cr_eomccsd_t_n2_4_1_2_1.F cr_eomccsd_t_n2_4_1_2.F cr_eomccsd_t_n2_4_1_3_1.F cr_eomccsd_t_n2_4_1_3.F cr_eomccsd_t_n2_4_1_4.F cr_eomccsd_t_n2_4_1.F cr_eomccsd_t_n2_4_2_2_2.F cr_eomccsd_t_n2_4_2_2.F cr_eomccsd_t_n2_4_2_3.F cr_eomccsd_t_n2_4_2_4.F cr_eomccsd_t_n2_4_2.F cr_eomccsd_t_n2_4.F cr_eomccsd_t_n2_5_2_2_2.F cr_eomccsd_t_n2_5_2_2.F cr_eomccsd_t_n2_5_2_3.F cr_eomccsd_t_n2_5_2.F cr_eomccsd_t_n2_5_3_2.F cr_eomccsd_t_n2_5_3.F cr_eomccsd_t_n2_5_4_2.F cr_eomccsd_t_n2_5_4.F cr_eomccsd_t_n2_5_5_2.F cr_eomccsd_t_n2_5_5.F cr_eomccsd_t_n2_5_6.F cr_eomccsd_t_n2_5.F cr_eomccsd_t_n2_6_2.F cr_eomccsd_t_n2_6_3_2.F cr_eomccsd_t_n2_6_3.F cr_eomccsd_t_n2_6_4.F cr_eomccsd_t_n2_6.F cr_s_m3.F nr0.F q3rexpt2.F t2t12.F creomccsd_t_n2_mem.F cr_eomccsd_t.F q3rexpt2_6dts.F creomccsd_t_n2_mem_6dts.F cr_eomccsd_t_6dts.F cr_ccsd_t_N_6dts.F cr_ccsd_t_E_6dts.F cr_eomccsd_t_6dts_d4d5_parallel.F converting c1_c1.F back to 8-byte integer blas calls [1] 57337 converting c2_c2.F back to 8-byte integer blas calls [2] 57338 converting c2excit2.F back to 8-byte integer blas calls [3] 57339 converting cr_eomccsd_t_n2_1_1_2_2.F back to 8-byte integer blas calls [4] 57340 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_1_2.F back to 8-byte integer blas calls [1] 57511 converting cr_eomccsd_t_n2_1_1_3.F back to 8-byte integer blas calls [2] 57512 converting cr_eomccsd_t_n2_1_1.F back to 8-byte integer blas calls [3] 57513 converting cr_eomccsd_t_n2_1_2.F back to 8-byte integer blas calls [4] 57515 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_3_1.F back to 8-byte integer blas calls [1] 57551 converting cr_eomccsd_t_n2_1_3_2_1.F back to 8-byte integer blas calls [2] 57552 converting cr_eomccsd_t_n2_1_3_2.F back to 8-byte integer blas calls [3] 57553 converting cr_eomccsd_t_n2_1_3_3.F back to 8-byte integer blas calls [4] 57554 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_3.F back to 8-byte integer blas calls [1] 57599 converting cr_eomccsd_t_n2_1_4_1.F back to 8-byte integer blas calls [2] 57600 converting cr_eomccsd_t_n2_1_4.F back to 8-byte integer blas calls [3] 57601 converting cr_eomccsd_t_n2_1_5_1.F back to 8-byte integer blas calls [4] 57602 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_5.F back to 8-byte integer blas calls [1] 57641 converting cr_eomccsd_t_n2_1_6_1.F back to 8-byte integer blas calls [2] 57642 converting cr_eomccsd_t_n2_1_6.F back to 8-byte integer blas calls [3] 57643 converting cr_eomccsd_t_n2_1_7_2.F back to 8-byte integer blas calls [4] 57644 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1_7.F back to 8-byte integer blas calls [1] 57793 converting cr_eomccsd_t_n2_1_8_2.F back to 8-byte integer blas calls [2] 57794 converting cr_eomccsd_t_n2_1_8.F back to 8-byte integer blas calls [3] 57795 converting cr_eomccsd_t_n2_1_9.F back to 8-byte integer blas calls [4] 57796 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_1.F back to 8-byte integer blas calls [1] 57884 converting cr_eomccsd_t_n2_2_1_2.F back to 8-byte integer blas calls [2] 57885 converting cr_eomccsd_t_n2_2_1_3.F back to 8-byte integer blas calls [3] 57886 converting cr_eomccsd_t_n2_2_1_4.F back to 8-byte integer blas calls [4] 57887 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_2_1.F back to 8-byte integer blas calls [1] 57930 converting cr_eomccsd_t_n2_2.F back to 8-byte integer blas calls [2] 57931 converting cr_eomccsd_t_n2_3_1.F back to 8-byte integer blas calls [3] 57932 converting cr_eomccsd_t_n2_3_2_1.F back to 8-byte integer blas calls [4] 57933 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_3_2.F back to 8-byte integer blas calls [1] 57956 converting cr_eomccsd_t_n2_3_3_2.F back to 8-byte integer blas calls [2] 57957 converting cr_eomccsd_t_n2_3_3.F back to 8-byte integer blas calls [3] 57958 converting cr_eomccsd_t_n2_3_4.F back to 8-byte integer blas calls [4] 57959 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_3.F back to 8-byte integer blas calls [1] 57983 converting cr_eomccsd_t_n2_4_1_1.F back to 8-byte integer blas calls [2] 57984 converting cr_eomccsd_t_n2_4_1_2_1.F back to 8-byte integer blas calls [3] 57985 converting cr_eomccsd_t_n2_4_1_2.F back to 8-byte integer blas calls [4] 57986 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_4_1_3_1.F back to 8-byte integer blas calls [1] 58082 converting cr_eomccsd_t_n2_4_1_3.F back to 8-byte integer blas calls [2] 58083 converting cr_eomccsd_t_n2_4_1_4.F back to 8-byte integer blas calls [3] 58084 converting cr_eomccsd_t_n2_4_1.F back to 8-byte integer blas calls [4] 58085 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_4_2_2_2.F back to 8-byte integer blas calls [1] 58137 converting cr_eomccsd_t_n2_4_2_2.F back to 8-byte integer blas calls [2] 58138 converting cr_eomccsd_t_n2_4_2_3.F back to 8-byte integer blas calls [3] 58139 converting cr_eomccsd_t_n2_4_2_4.F back to 8-byte integer blas calls [4] 58140 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_4_2.F back to 8-byte integer blas calls [1] 58147 converting cr_eomccsd_t_n2_4.F back to 8-byte integer blas calls [2] 58148 converting cr_eomccsd_t_n2_5_2_2_2.F back to 8-byte integer blas calls [3] 58149 converting cr_eomccsd_t_n2_5_2_2.F back to 8-byte integer blas calls [4] 58150 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_5_2_3.F back to 8-byte integer blas calls [1] 58160 converting cr_eomccsd_t_n2_5_2.F back to 8-byte integer blas calls [2] 58161 converting cr_eomccsd_t_n2_5_3_2.F back to 8-byte integer blas calls [3] 58162 converting cr_eomccsd_t_n2_5_3.F back to 8-byte integer blas calls [4] 58163 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_5_4_2.F back to 8-byte integer blas calls [1] 58181 converting cr_eomccsd_t_n2_5_4.F back to 8-byte integer blas calls [2] 58182 converting cr_eomccsd_t_n2_5_5_2.F back to 8-byte integer blas calls [3] 58183 converting cr_eomccsd_t_n2_5_5.F back to 8-byte integer blas calls [4] 58184 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_5_6.F back to 8-byte integer blas calls [1] 58196 converting cr_eomccsd_t_n2_5.F back to 8-byte integer blas calls [2] 58197 converting cr_eomccsd_t_n2_6_2.F back to 8-byte integer blas calls [3] 58198 converting cr_eomccsd_t_n2_6_3_2.F back to 8-byte integer blas calls [4] 58199 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t_n2_6_3.F back to 8-byte integer blas calls [1] 58210 converting cr_eomccsd_t_n2_6_4.F back to 8-byte integer blas calls [2] 58211 converting cr_eomccsd_t_n2_6.F back to 8-byte integer blas calls [3] 58212 converting cr_s_m3.F back to 8-byte integer blas calls [4] 58213 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting nr0.F back to 8-byte integer blas calls [1] 58236 converting q3rexpt2.F back to 8-byte integer blas calls [2] 58237 converting t2t12.F back to 8-byte integer blas calls [3] 58238 converting creomccsd_t_n2_mem.F back to 8-byte integer blas calls [4] 58239 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomccsd_t.F back to 8-byte integer blas calls [1] 58670 converting q3rexpt2_6dts.F back to 8-byte integer blas calls [2] 58671 converting creomccsd_t_n2_mem_6dts.F back to 8-byte integer blas calls [3] 58672 converting cr_eomccsd_t_6dts.F back to 8-byte integer blas calls [4] 58673 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_ccsd_t_N_6dts.F back to 8-byte integer blas calls [1] 58763 converting cr_ccsd_t_E_6dts.F back to 8-byte integer blas calls [2] 58764 converting cr_eomccsd_t_6dts_d4d5_parallel.F back to 8-byte integer blas calls [3] 58765 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in lrh 32_to_64 : no conversion necessary Making 32_to_64 in emb /build/nwchem-6.8.1/src/config/32_to_64 c2vt1_s.F c1v.F converting c2vt1_s.F back to 8-byte integer blas calls [1] 59718 converting c1v.F back to 8-byte integer blas calls [2] 59719 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccd /build/nwchem-6.8.1/src/config/32_to_64 ccd_e.F ccd_t2.F converting ccd_e.F back to 8-byte integer blas calls [1] 60190 converting ccd_t2.F back to 8-byte integer blas calls [2] 60191 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in lccd /build/nwchem-6.8.1/src/config/32_to_64 lccd_e.F lccd_t2.F converting lccd_e.F back to 8-byte integer blas calls [1] 60729 converting lccd_t2.F back to 8-byte integer blas calls [2] 60730 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in lccsd /build/nwchem-6.8.1/src/config/32_to_64 lccsd_e.F lccsd_t1.F lccsd_t2.F converting lccsd_e.F back to 8-byte integer blas calls [1] 61211 converting lccsd_t1.F back to 8-byte integer blas calls [2] 61212 converting lccsd_t2.F back to 8-byte integer blas calls [3] 61213 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in qcisd /build/nwchem-6.8.1/src/config/32_to_64 qcisd_e.F qcisd_t1.F qcisd_t2.F converting qcisd_e.F back to 8-byte integer blas calls [1] 61585 converting qcisd_t1.F back to 8-byte integer blas calls [2] 61586 converting qcisd_t2.F back to 8-byte integer blas calls [3] 61587 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cc3 /build/nwchem-6.8.1/src/config/32_to_64 cc3_t3.F ccsdt1b_t3.F ccsdt2_t3.F ccsdt3_t3.F eomccsdt1_x3.F eomcc3_x3.F eomccsdt3_x3.F cc3_lambda3.F converting cc3_t3.F back to 8-byte integer blas calls [1] 62006 converting ccsdt1b_t3.F back to 8-byte integer blas calls [2] 62007 converting ccsdt2_t3.F back to 8-byte integer blas calls [3] 62008 converting ccsdt3_t3.F back to 8-byte integer blas calls [4] 62009 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt1_x3.F back to 8-byte integer blas calls [1] 62026 converting eomcc3_x3.F back to 8-byte integer blas calls [2] 62027 converting eomccsdt3_x3.F back to 8-byte integer blas calls [3] 62028 converting cc3_lambda3.F back to 8-byte integer blas calls [4] 62029 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in mbpt1 /build/nwchem-6.8.1/src/config/32_to_64 mbpt1_t1.F mbpt1_t2.F converting mbpt1_t1.F back to 8-byte integer blas calls [1] 62402 converting mbpt1_t2.F back to 8-byte integer blas calls [2] 62403 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in mbpt2 /build/nwchem-6.8.1/src/config/32_to_64 mbpt2_e.F mbpt2_t1.F mbpt2_t2_b.F mbpt2_t2.F mbpt2_t3.F mbpt2_t1_sd.F mbpt2_t2_sd.F mbpt2_t4.F converting mbpt2_e.F back to 8-byte integer blas calls [1] 62769 converting mbpt2_t1.F back to 8-byte integer blas calls [2] 62770 converting mbpt2_t2_b.F back to 8-byte integer blas calls [3] 62771 converting mbpt2_t2.F back to 8-byte integer blas calls [4] 62772 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mbpt2_t3.F back to 8-byte integer blas calls [1] 62773 converting mbpt2_t1_sd.F back to 8-byte integer blas calls [2] 62774 converting mbpt2_t2_sd.F back to 8-byte integer blas calls [3] 62775 converting mbpt2_t4.F back to 8-byte integer blas calls [4] 62776 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in mbpt3 /build/nwchem-6.8.1/src/config/32_to_64 mbpt3_e.F mbpt3_t1.F mbpt3_t2.F mbpt3_t1_sd.F mbpt3_t2_sd.F converting mbpt3_e.F back to 8-byte integer blas calls [1] 63142 converting mbpt3_t1.F back to 8-byte integer blas calls [2] 63143 converting mbpt3_t2.F back to 8-byte integer blas calls [3] 63144 converting mbpt3_t1_sd.F back to 8-byte integer blas calls [4] 63145 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mbpt3_t2_sd.F back to 8-byte integer blas calls [1] 63196 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in mbpt4 /build/nwchem-6.8.1/src/config/32_to_64 mbpt4_e.F converting mbpt4_e.F back to 8-byte integer blas calls [1] 63684 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in cis /build/nwchem-6.8.1/src/config/32_to_64 cis_x1.F cis_xdiagon.F converting cis_x1.F back to 8-byte integer blas calls [1] 64050 converting cis_xdiagon.F back to 8-byte integer blas calls [2] 64051 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cisd /build/nwchem-6.8.1/src/config/32_to_64 cisd_c1.F cisd_c2.F cisd_e.F converting cisd_c1.F back to 8-byte integer blas calls [1] 64429 converting cisd_c2.F back to 8-byte integer blas calls [2] 64430 converting cisd_e.F back to 8-byte integer blas calls [3] 64431 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cisdt /build/nwchem-6.8.1/src/config/32_to_64 cisdt_c1.F cisdt_c2.F cisdt_c3.F cisdt_e.F converting cisdt_c1.F back to 8-byte integer blas calls [1] 64797 converting cisdt_c2.F back to 8-byte integer blas calls [2] 64798 converting cisdt_c3.F back to 8-byte integer blas calls [3] 64799 converting cisdt_e.F back to 8-byte integer blas calls [4] 64800 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cisdtq /build/nwchem-6.8.1/src/config/32_to_64 cisdtq_c1.F cisdtq_c2.F cisdtq_c3.F cisdtq_c4.F cisdtq_e.F converting cisdtq_c1.F back to 8-byte integer blas calls [1] 65166 converting cisdtq_c2.F back to 8-byte integer blas calls [2] 65167 converting cisdtq_c3.F back to 8-byte integer blas calls [3] 65168 converting cisdtq_c4.F back to 8-byte integer blas calls [4] 65169 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cisdtq_e.F back to 8-byte integer blas calls [1] 65172 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsd_act /build/nwchem-6.8.1/src/config/32_to_64 ccsd_ea.F ccsd_t1a.F ccsd_t2a.F diag1_act2.F diag2_act2.F converting ccsd_ea.F back to 8-byte integer blas calls [1] 305 converting ccsd_t1a.F back to 8-byte integer blas calls [2] 306 converting ccsd_t2a.F back to 8-byte integer blas calls [3] 307 converting diag1_act2.F back to 8-byte integer blas calls [4] 309 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting diag2_act2.F back to 8-byte integer blas calls [1] 352 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in eomccsd_act /build/nwchem-6.8.1/src/config/32_to_64 eomccsd_x1a.F eomccsd_x2a.F q2na_hc1.F converting eomccsd_x1a.F back to 8-byte integer blas calls [1] 732 converting eomccsd_x2a.F back to 8-byte integer blas calls [2] 733 converting q2na_hc1.F back to 8-byte integer blas calls [3] 734 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in cr_eomccsd_t_act /build/nwchem-6.8.1/src/config/32_to_64 cr_ccsd_t_E_act.F q3rexpt2_act.F cr_ccsd_t_N_act.F creomccsd_t_n2_act_mem.F cr_eomt_simac.F ccsd_t_d_act.F cr_eomccsd_t_act.F cr_eomccsd_tasim.F converting cr_ccsd_t_E_act.F back to 8-byte integer blas calls [1] 1115 converting q3rexpt2_act.F back to 8-byte integer blas calls [2] 1116 converting cr_ccsd_t_N_act.F back to 8-byte integer blas calls [3] 1117 converting creomccsd_t_n2_act_mem.F back to 8-byte integer blas calls [4] 1118 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cr_eomt_simac.F back to 8-byte integer blas calls [1] 1244 converting ccsd_t_d_act.F back to 8-byte integer blas calls [2] 1245 converting cr_eomccsd_t_act.F back to 8-byte integer blas calls [3] 1246 converting cr_eomccsd_tasim.F back to 8-byte integer blas calls [4] 1247 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in sort 32_to_64 : no conversion necessary Making 32_to_64 in eaccsd /build/nwchem-6.8.1/src/config/32_to_64 eaccsd_x1.F eaccsd_x2.F tce_print_eax1.F tce_print_eax2.F tce_eax1_offset.F tce_eax2_offset.F tce_eom_eaxguess.F tce_jacobi_eax1.F tce_jacobi_eax2.F converting eaccsd_x1.F back to 8-byte integer blas calls [1] 1979 converting eaccsd_x2.F back to 8-byte integer blas calls [2] 1980 converting tce_print_eax1.F back to 8-byte integer blas calls [3] 1981 converting tce_print_eax2.F back to 8-byte integer blas calls [4] 1982 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_eax1_offset.F back to 8-byte integer blas calls [1] 2411 converting tce_eax2_offset.F back to 8-byte integer blas calls [2] 2412 converting tce_eom_eaxguess.F back to 8-byte integer blas calls [3] 2413 converting tce_jacobi_eax1.F back to 8-byte integer blas calls [4] 2414 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_jacobi_eax2.F back to 8-byte integer blas calls [1] 2453 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in ipccsd /build/nwchem-6.8.1/src/config/32_to_64 ipccsd_x1.F ipccsd_x2.F tce_print_ipx1.F tce_print_ipx2.F tce_ipx1_offset.F tce_ipx2_offset.F tce_eom_ipxguess.F tce_jacobi_ipx1.F tce_jacobi_ipx2.F converting ipccsd_x1.F back to 8-byte integer blas calls [1] 2896 converting ipccsd_x2.F back to 8-byte integer blas calls [2] 2897 converting tce_print_ipx1.F back to 8-byte integer blas calls [3] 2898 converting tce_print_ipx2.F back to 8-byte integer blas calls [4] 2899 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_ipx1_offset.F back to 8-byte integer blas calls [1] 3421 converting tce_ipx2_offset.F back to 8-byte integer blas calls [2] 3422 converting tce_eom_ipxguess.F back to 8-byte integer blas calls [3] 3423 converting tce_jacobi_ipx1.F back to 8-byte integer blas calls [4] 3424 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_jacobi_ipx2.F back to 8-byte integer blas calls [1] 3495 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsdt /build/nwchem-6.8.1/src/config/32_to_64 ccsdt_e.F ccsdt_t1a.F ccsdt_t1.F ccsdt_t2a.F ccsdt_t2.F ccsdt_t3_1_2_2_2.F ccsdt_t3_1_2_2.F ccsdt_t3_1_2_3.F ccsdt_t3_1_2.F ccsdt_t3_1_3_2.F ccsdt_t3_1_3.F ccsdt_t3_1_4_2.F ccsdt_t3_1_4.F ccsdt_t3_1_5_2.F ccsdt_t3_1_5.F ccsdt_t3_1_6.F ccsdt_t3_1_7.F ccsdt_t3_1.F ccsdt_t3_2_2.F ccsdt_t3_2_3_2.F ccsdt_t3_2_3.F ccsdt_t3_2_4.F ccsdt_t3_2_5.F ccsdt_t3_2.F ccsdt_t3_3_2_2.F ccsdt_t3_3_2.F ccsdt_t3_3_3.F ccsdt_t3_3_4.F ccsdt_t3_3.F ccsdt_t3_4_2.F ccsdt_t3_4_3.F ccsdt_t3_4.F ccsdt_t3_5_2_2.F ccsdt_t3_5_2.F ccsdt_t3_5_3.F ccsdt_t3_5.F ccsdt_t3_6_2.F ccsdt_t3_6_3.F ccsdt_t3_6.F ccsdt_t3_7.F ccsdt_t3_8_1_2_2.F ccsdt_t3_8_1_2.F ccsdt_t3_8_1_3.F ccsdt_t3_8_1_4.F ccsdt_t3_8_1.F ccsdt_t3_8_2_2.F ccsdt_t3_8_2.F ccsdt_t3_8_3_2.F ccsdt_t3_8_3.F ccsdt_t3_8_4.F ccsdt_t3_8_5_1.F ccsdt_t3_8_5.F ccsdt_t3_8.F ccsdt_t3_9_1.F ccsdt_t3_9.F ccsdt_t3a_1_2_2_2.F ccsdt_t3a_1_2_2.F ccsdt_t3a_1_2_3.F ccsdt_t3a_1_2.F ccsdt_t3a_1_3_2.F ccsdt_t3a_1_3.F ccsdt_t3a_1_4_2.F ccsdt_t3a_1_4.F ccsdt_t3a_1_5_2.F ccsdt_t3a_1_5.F ccsdt_t3a_1_6.F ccsdt_t3a_1_7.F ccsdt_t3a_1.F ccsdt_t3a_2_2.F ccsdt_t3a_2_3_2.F ccsdt_t3a_2_3.F ccsdt_t3a_2_4.F ccsdt_t3a_2_5.F ccsdt_t3a_2.F ccsdt_t3a_3_2_2.F ccsdt_t3a_3_2.F ccsdt_t3a_3_3.F ccsdt_t3a_3_4.F ccsdt_t3a_3.F ccsdt_t3a_4_2.F ccsdt_t3a_4_3.F ccsdt_t3a_4.F ccsdt_t3a_5_2_2.F ccsdt_t3a_5_2.F ccsdt_t3a_5_3.F ccsdt_t3a_5.F ccsdt_t3a_6_2.F ccsdt_t3a_6_3.F ccsdt_t3a_6.F ccsdt_t3a_7.F ccsdt_t3a_8_1_2_2.F ccsdt_t3a_8_1_2.F ccsdt_t3a_8_1_3.F ccsdt_t3a_8_1_4.F ccsdt_t3a_8_1.F ccsdt_t3a_8_2_2.F ccsdt_t3a_8_2.F ccsdt_t3a_8_3_2.F ccsdt_t3a_8_3.F ccsdt_t3a_8_4.F ccsdt_t3a_8_5_1.F ccsdt_t3a_8_5.F ccsdt_t3a_8.F ccsdt_t3a_9_1.F ccsdt_t3a_9.F converting ccsdt_e.F back to 8-byte integer blas calls [1] 4054 converting ccsdt_t1a.F back to 8-byte integer blas calls [2] 4055 converting ccsdt_t1.F back to 8-byte integer blas calls [3] 4056 converting ccsdt_t2a.F back to 8-byte integer blas calls [4] 4057 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t2.F back to 8-byte integer blas calls [1] 6088 converting ccsdt_t3_1_2_2_2.F back to 8-byte integer blas calls [2] 6089 converting ccsdt_t3_1_2_2.F back to 8-byte integer blas calls [3] 6090 converting ccsdt_t3_1_2_3.F back to 8-byte integer blas calls [4] 6092 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_1_2.F back to 8-byte integer blas calls [1] 10218 converting ccsdt_t3_1_3_2.F back to 8-byte integer blas calls [2] 10219 converting ccsdt_t3_1_3.F back to 8-byte integer blas calls [3] 10220 converting ccsdt_t3_1_4_2.F back to 8-byte integer blas calls [4] 10222 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_1_4.F back to 8-byte integer blas calls [1] 10398 converting ccsdt_t3_1_5_2.F back to 8-byte integer blas calls [2] 10399 converting ccsdt_t3_1_5.F back to 8-byte integer blas calls [3] 10400 converting ccsdt_t3_1_6.F back to 8-byte integer blas calls [4] 10401 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_1_7.F back to 8-byte integer blas calls [1] 10609 converting ccsdt_t3_1.F back to 8-byte integer blas calls [2] 10610 converting ccsdt_t3_2_2.F back to 8-byte integer blas calls [3] 10611 converting ccsdt_t3_2_3_2.F back to 8-byte integer blas calls [4] 10612 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_2_3.F back to 8-byte integer blas calls [1] 10988 converting ccsdt_t3_2_4.F back to 8-byte integer blas calls [2] 10989 converting ccsdt_t3_2_5.F back to 8-byte integer blas calls [3] 10990 converting ccsdt_t3_2.F back to 8-byte integer blas calls [4] 10991 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_3_2_2.F back to 8-byte integer blas calls [1] 11221 converting ccsdt_t3_3_2.F back to 8-byte integer blas calls [2] 11222 converting ccsdt_t3_3_3.F back to 8-byte integer blas calls [3] 11224 converting ccsdt_t3_3_4.F back to 8-byte integer blas calls [4] 11226 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_3.F back to 8-byte integer blas calls [1] 11405 converting ccsdt_t3_4_2.F back to 8-byte integer blas calls [2] 11406 converting ccsdt_t3_4_3.F back to 8-byte integer blas calls [3] 11408 converting ccsdt_t3_4.F back to 8-byte integer blas calls [4] 11409 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_5_2_2.F back to 8-byte integer blas calls [1] 11566 converting ccsdt_t3_5_2.F back to 8-byte integer blas calls [2] 11567 converting ccsdt_t3_5_3.F back to 8-byte integer blas calls [3] 11568 converting ccsdt_t3_5.F back to 8-byte integer blas calls [4] 11569 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_6_2.F back to 8-byte integer blas calls [1] 11777 converting ccsdt_t3_6_3.F back to 8-byte integer blas calls [2] 11778 converting ccsdt_t3_6.F back to 8-byte integer blas calls [3] 11779 converting ccsdt_t3_7.F back to 8-byte integer blas calls [4] 11780 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8_1_2_2.F back to 8-byte integer blas calls [1] 12008 converting ccsdt_t3_8_1_2.F back to 8-byte integer blas calls [2] 12010 converting ccsdt_t3_8_1_3.F back to 8-byte integer blas calls [3] 12012 converting ccsdt_t3_8_1_4.F back to 8-byte integer blas calls [4] 12013 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8_1.F back to 8-byte integer blas calls [1] 12216 converting ccsdt_t3_8_2_2.F back to 8-byte integer blas calls [2] 12217 converting ccsdt_t3_8_2.F back to 8-byte integer blas calls [3] 12219 converting ccsdt_t3_8_3_2.F back to 8-byte integer blas calls [4] 12221 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8_3.F back to 8-byte integer blas calls [1] 12523 converting ccsdt_t3_8_4.F back to 8-byte integer blas calls [2] 12525 converting ccsdt_t3_8_5_1.F back to 8-byte integer blas calls [3] 12527 converting ccsdt_t3_8_5.F back to 8-byte integer blas calls [4] 12528 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3_8.F back to 8-byte integer blas calls [1] 12778 converting ccsdt_t3_9_1.F back to 8-byte integer blas calls [2] 12779 converting ccsdt_t3_9.F back to 8-byte integer blas calls [3] 12780 converting ccsdt_t3a_1_2_2_2.F back to 8-byte integer blas calls [4] 12782 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_1_2_2.F back to 8-byte integer blas calls [1] 12942 converting ccsdt_t3a_1_2_3.F back to 8-byte integer blas calls [2] 12944 converting ccsdt_t3a_1_2.F back to 8-byte integer blas calls [3] 12946 converting ccsdt_t3a_1_3_2.F back to 8-byte integer blas calls [4] 12947 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_1_3.F back to 8-byte integer blas calls [1] 13079 converting ccsdt_t3a_1_4_2.F back to 8-byte integer blas calls [2] 13081 converting ccsdt_t3a_1_4.F back to 8-byte integer blas calls [3] 13083 converting ccsdt_t3a_1_5_2.F back to 8-byte integer blas calls [4] 13085 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_1_5.F back to 8-byte integer blas calls [1] 13183 converting ccsdt_t3a_1_6.F back to 8-byte integer blas calls [2] 13184 converting ccsdt_t3a_1_7.F back to 8-byte integer blas calls [3] 13185 converting ccsdt_t3a_1.F back to 8-byte integer blas calls [4] 13186 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_2_2.F back to 8-byte integer blas calls [1] 13340 converting ccsdt_t3a_2_3_2.F back to 8-byte integer blas calls [2] 13342 converting ccsdt_t3a_2_3.F back to 8-byte integer blas calls [3] 13343 converting ccsdt_t3a_2_4.F back to 8-byte integer blas calls [4] 13344 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_2_5.F back to 8-byte integer blas calls [1] 13483 converting ccsdt_t3a_2.F back to 8-byte integer blas calls [2] 13484 converting ccsdt_t3a_3_2_2.F back to 8-byte integer blas calls [3] 13486 converting ccsdt_t3a_3_2.F back to 8-byte integer blas calls [4] 13488 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_3_3.F back to 8-byte integer blas calls [1] 13695 converting ccsdt_t3a_3_4.F back to 8-byte integer blas calls [2] 13696 converting ccsdt_t3a_3.F back to 8-byte integer blas calls [3] 13697 converting ccsdt_t3a_4_2.F back to 8-byte integer blas calls [4] 13698 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_4_3.F back to 8-byte integer blas calls [1] 13869 converting ccsdt_t3a_4.F back to 8-byte integer blas calls [2] 13870 converting ccsdt_t3a_5_2_2.F back to 8-byte integer blas calls [3] 13871 converting ccsdt_t3a_5_2.F back to 8-byte integer blas calls [4] 13873 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_5_3.F back to 8-byte integer blas calls [1] 14043 converting ccsdt_t3a_5.F back to 8-byte integer blas calls [2] 14044 converting ccsdt_t3a_6_2.F back to 8-byte integer blas calls [3] 14045 converting ccsdt_t3a_6_3.F back to 8-byte integer blas calls [4] 14048 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_6.F back to 8-byte integer blas calls [1] 14299 converting ccsdt_t3a_7.F back to 8-byte integer blas calls [2] 14300 converting ccsdt_t3a_8_1_2_2.F back to 8-byte integer blas calls [3] 14302 converting ccsdt_t3a_8_1_2.F back to 8-byte integer blas calls [4] 14304 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_8_1_3.F back to 8-byte integer blas calls [1] 14427 converting ccsdt_t3a_8_1_4.F back to 8-byte integer blas calls [2] 14428 converting ccsdt_t3a_8_1.F back to 8-byte integer blas calls [3] 14429 converting ccsdt_t3a_8_2_2.F back to 8-byte integer blas calls [4] 14430 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_8_2.F back to 8-byte integer blas calls [1] 14464 converting ccsdt_t3a_8_3_2.F back to 8-byte integer blas calls [2] 14465 converting ccsdt_t3a_8_3.F back to 8-byte integer blas calls [3] 14466 converting ccsdt_t3a_8_4.F back to 8-byte integer blas calls [4] 14467 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_8_5_1.F back to 8-byte integer blas calls [1] 14655 converting ccsdt_t3a_8_5.F back to 8-byte integer blas calls [2] 14656 converting ccsdt_t3a_8.F back to 8-byte integer blas calls [3] 14657 converting ccsdt_t3a_9_1.F back to 8-byte integer blas calls [4] 14658 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_t3a_9.F back to 8-byte integer blas calls [1] 14891 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsdt_lambda /build/nwchem-6.8.1/src/config/32_to_64 ccsdt_density1.F ccsdt_lambda1_10_1.F ccsdt_lambda1_10_2.F ccsdt_lambda1_10_3.F ccsdt_lambda1_10.F ccsdt_lambda1_11_1.F ccsdt_lambda1_11_2.F ccsdt_lambda1_11_3.F ccsdt_lambda1_11.F ccsdt_lambda1_12_1.F ccsdt_lambda1_12_2.F ccsdt_lambda1_12_3.F ccsdt_lambda1_12.F ccsdt_lambda1_13_1.F ccsdt_lambda1_13_2.F ccsdt_lambda1_13.F ccsdt_lambda1_14_1.F ccsdt_lambda1_14_2.F ccsdt_lambda1_14_3_1.F ccsdt_lambda1_14_3_2.F ccsdt_lambda1_14_3_3_1.F ccsdt_lambda1_14_3_3_2.F ccsdt_lambda1_14_3_3.F ccsdt_lambda1_14_3.F ccsdt_lambda1_14_4_1.F ccsdt_lambda1_14_4.F ccsdt_lambda1_14_5_1.F ccsdt_lambda1_14_5_2.F ccsdt_lambda1_14_5.F ccsdt_lambda1_14_6_1.F ccsdt_lambda1_14_6.F ccsdt_lambda1_14_7_1.F ccsdt_lambda1_14_7.F ccsdt_lambda1_14_8_1.F ccsdt_lambda1_14_8.F ccsdt_lambda1_14_9_1_1.F ccsdt_lambda1_14_9_1.F ccsdt_lambda1_14_9.F ccsdt_lambda1_14.F ccsdt_lambda1_15_1.F ccsdt_lambda1_15_2.F ccsdt_lambda1_15_3_1.F ccsdt_lambda1_15_3.F ccsdt_lambda1_15_4_1.F ccsdt_lambda1_15_4.F ccsdt_lambda1_15.F ccsdt_lambda1_16_1.F ccsdt_lambda1_16_2.F ccsdt_lambda1_16_3_1.F ccsdt_lambda1_16_3_2.F ccsdt_lambda1_16_3.F ccsdt_lambda1_16_4_1.F ccsdt_lambda1_16_4.F ccsdt_lambda1_16.F ccsdt_lambda1_17_1.F ccsdt_lambda1_17.F ccsdt_lambda1_18_1_2.F ccsdt_lambda1_18_1_3.F ccsdt_lambda1_18_1_4.F ccsdt_lambda1_18_1.F ccsdt_lambda1_18_2_2.F ccsdt_lambda1_18_2.F ccsdt_lambda1_18_3_2.F ccsdt_lambda1_18_3.F ccsdt_lambda1_18_4.F ccsdt_lambda1_18_5_1.F ccsdt_lambda1_18_5.F ccsdt_lambda1_18_6_1_1.F ccsdt_lambda1_18_6_1.F ccsdt_lambda1_18_6.F ccsdt_lambda1_18.F ccsdt_lambda1_19_1.F ccsdt_lambda1_19.F ccsdt_lambda1_20_1_1.F ccsdt_lambda1_20_1.F ccsdt_lambda1_20.F ccsdt_lambda1_21_1_1.F ccsdt_lambda1_21_1.F ccsdt_lambda1_21_2_1_1.F ccsdt_lambda1_21_2_1.F ccsdt_lambda1_21_2.F ccsdt_lambda1_21.F ccsdt_lambda1_2_2_2.F ccsdt_lambda1_2_2.F ccsdt_lambda1_2_3.F ccsdt_lambda1_2_4.F ccsdt_lambda1_2.F ccsdt_lambda1_3_2.F ccsdt_lambda1_3_3_1.F ccsdt_lambda1_3_3.F ccsdt_lambda1_3.F ccsdt_lambda1_4.F ccsdt_lambda1_5_2_2_2.F ccsdt_lambda1_5_2_2.F ccsdt_lambda1_5_2_3.F ccsdt_lambda1_5_2_4.F ccsdt_lambda1_5_2.F ccsdt_lambda1_5_3_2.F ccsdt_lambda1_5_3.F ccsdt_lambda1_5_4.F ccsdt_lambda1_5_5_2.F ccsdt_lambda1_5_5.F ccsdt_lambda1_5_6_2.F ccsdt_lambda1_5_6.F ccsdt_lambda1_5_7.F ccsdt_lambda1_5_8.F ccsdt_lambda1_5.F ccsdt_lambda1_6_2_2_2.F ccsdt_lambda1_6_2_2.F ccsdt_lambda1_6_2_3.F ccsdt_lambda1_6_2.F ccsdt_lambda1_6_3_2.F ccsdt_lambda1_6_3.F ccsdt_lambda1_6_4_2.F ccsdt_lambda1_6_4.F ccsdt_lambda1_6_5_2.F ccsdt_lambda1_6_5.F ccsdt_lambda1_6_6.F ccsdt_lambda1_6_7.F ccsdt_lambda1_6.F ccsdt_lambda1_7_2.F ccsdt_lambda1_7.F ccsdt_lambda1_8_10_2.F ccsdt_lambda1_8_10.F ccsdt_lambda1_8_11.F ccsdt_lambda1_8_12_1.F ccsdt_lambda1_8_12_2.F ccsdt_lambda1_8_12_3.F ccsdt_lambda1_8_12.F ccsdt_lambda1_8_13_1.F ccsdt_lambda1_8_13_2.F ccsdt_lambda1_8_13_3.F ccsdt_lambda1_8_13.F ccsdt_lambda1_8_14_1.F ccsdt_lambda1_8_14_2.F ccsdt_lambda1_8_14.F ccsdt_lambda1_8_2_2_2_2.F ccsdt_lambda1_8_2_2_2.F ccsdt_lambda1_8_2_2_3.F ccsdt_lambda1_8_2_2.F ccsdt_lambda1_8_2_3_2.F ccsdt_lambda1_8_2_3.F ccsdt_lambda1_8_2_4.F ccsdt_lambda1_8_2_5_1.F ccsdt_lambda1_8_2_5.F ccsdt_lambda1_8_2.F ccsdt_lambda1_8_3_2.F ccsdt_lambda1_8_3.F ccsdt_lambda1_8_4_2_1.F ccsdt_lambda1_8_4_2.F ccsdt_lambda1_8_4.F ccsdt_lambda1_8_5_2_1.F ccsdt_lambda1_8_5_2.F ccsdt_lambda1_8_5.F ccsdt_lambda1_8_6_2_2.F ccsdt_lambda1_8_6_2.F ccsdt_lambda1_8_6_3.F ccsdt_lambda1_8_6.F ccsdt_lambda1_8_7_2.F ccsdt_lambda1_8_7_3.F ccsdt_lambda1_8_7.F ccsdt_lambda1_8_8.F ccsdt_lambda1_8_9_2.F ccsdt_lambda1_8_9.F ccsdt_lambda1_8.F ccsdt_lambda1_9_2.F ccsdt_lambda1_9_3.F ccsdt_lambda1_9_4_1.F ccsdt_lambda1_9_4_2.F ccsdt_lambda1_9_4_3.F ccsdt_lambda1_9_4.F ccsdt_lambda1_9_5_1.F ccsdt_lambda1_9_5_2.F ccsdt_lambda1_9_5.F ccsdt_lambda1_9_6_1.F ccsdt_lambda1_9_6.F ccsdt_lambda1_9.F ccsdt_lambda2_10_2_2_2.F ccsdt_lambda2_10_2_2.F ccsdt_lambda2_10_2_3.F ccsdt_lambda2_10_2_4.F ccsdt_lambda2_10_2.F ccsdt_lambda2_10_3_2.F ccsdt_lambda2_10_3_3.F ccsdt_lambda2_10_3.F ccsdt_lambda2_10_4.F ccsdt_lambda2_10_5_2.F ccsdt_lambda2_10_5.F ccsdt_lambda2_10_6.F ccsdt_lambda2_10_7.F ccsdt_lambda2_10_8.F ccsdt_lambda2_10.F ccsdt_lambda2_11_2_2_2.F ccsdt_lambda2_11_2_2.F ccsdt_lambda2_11_2_3.F ccsdt_lambda2_11_2.F ccsdt_lambda2_11_3_2.F ccsdt_lambda2_11_3.F ccsdt_lambda2_11_4_2.F ccsdt_lambda2_11_4.F ccsdt_lambda2_11_5_2.F ccsdt_lambda2_11_5.F ccsdt_lambda2_11_6.F ccsdt_lambda2_11_7.F ccsdt_lambda2_11.F ccsdt_lambda2_12_2.F ccsdt_lambda2_12_3_2.F ccsdt_lambda2_12_3.F ccsdt_lambda2_12_4.F ccsdt_lambda2_12_5.F ccsdt_lambda2_12_6_1.F ccsdt_lambda2_12_6.F ccsdt_lambda2_12_7_1.F ccsdt_lambda2_12_7.F ccsdt_lambda2_12.F ccsdt_lambda2_13_1.F ccsdt_lambda2_13_2.F ccsdt_lambda2_13_3.F ccsdt_lambda2_13.F ccsdt_lambda2_14_1.F ccsdt_lambda2_14_2.F ccsdt_lambda2_14.F ccsdt_lambda2_15_1.F ccsdt_lambda2_15_2.F ccsdt_lambda2_15.F ccsdt_lambda2_16_1.F ccsdt_lambda2_16_2.F ccsdt_lambda2_16.F ccsdt_lambda2_17_1.F ccsdt_lambda2_17.F ccsdt_lambda2_18_1.F ccsdt_lambda2_18_2.F ccsdt_lambda2_18.F ccsdt_lambda2_19_1.F ccsdt_lambda2_19_2.F ccsdt_lambda2_19_3_1.F ccsdt_lambda2_19_3.F ccsdt_lambda2_19_4_1.F ccsdt_lambda2_19_4.F ccsdt_lambda2_19.F ccsdt_lambda2_20_1.F ccsdt_lambda2_20.F ccsdt_lambda2_21_1.F ccsdt_lambda2_21.F ccsdt_lambda2_22_1.F ccsdt_lambda2_2_2.F ccsdt_lambda2_22.F ccsdt_lambda2_23_1.F ccsdt_lambda2_23_2_1.F ccsdt_lambda2_23_2_2.F ccsdt_lambda2_23_2.F ccsdt_lambda2_23_3_1.F ccsdt_lambda2_23_3.F ccsdt_lambda2_23.F ccsdt_lambda2_24_1_1.F ccsdt_lambda2_24_1.F ccsdt_lambda2_24.F ccsdt_lambda2_25_1_1.F ccsdt_lambda2_25_1.F ccsdt_lambda2_25.F ccsdt_lambda2_26_1_1.F ccsdt_lambda2_26_1.F ccsdt_lambda2_26_2_1_1.F ccsdt_lambda2_26_2_1.F ccsdt_lambda2_26_2.F ccsdt_lambda2_26.F ccsdt_lambda2_2.F ccsdt_lambda2_3_2.F ccsdt_lambda2_3.F ccsdt_lambda2_4.F ccsdt_lambda2_5_2_2.F ccsdt_lambda2_5_2.F ccsdt_lambda2_5_3.F ccsdt_lambda2_5_4.F ccsdt_lambda2_5.F ccsdt_lambda2_6_2.F ccsdt_lambda2_6_3.F ccsdt_lambda2_6_4_1.F ccsdt_lambda2_6_4.F ccsdt_lambda2_6.F ccsdt_lambda2_7_2_2.F ccsdt_lambda2_7_2.F ccsdt_lambda2_7_3.F ccsdt_lambda2_7.F ccsdt_lambda2_8_2.F ccsdt_lambda2_8_3.F ccsdt_lambda2_8.F ccsdt_lambda2_9.F ccsdt_lambda3.F converting ccsdt_density1.F back to 8-byte integer blas calls [1] 15861 converting ccsdt_lambda1_10_1.F back to 8-byte integer blas calls [2] 15863 converting ccsdt_lambda1_10_2.F back to 8-byte integer blas calls [3] 15864 converting ccsdt_lambda1_10_3.F back to 8-byte integer blas calls [4] 15865 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_10.F back to 8-byte integer blas calls [1] 16958 converting ccsdt_lambda1_11_1.F back to 8-byte integer blas calls [2] 16959 converting ccsdt_lambda1_11_2.F back to 8-byte integer blas calls [3] 16960 converting ccsdt_lambda1_11_3.F back to 8-byte integer blas calls [4] 16961 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_11.F back to 8-byte integer blas calls [1] 17009 converting ccsdt_lambda1_12_1.F back to 8-byte integer blas calls [2] 17010 converting ccsdt_lambda1_12_2.F back to 8-byte integer blas calls [3] 17011 converting ccsdt_lambda1_12_3.F back to 8-byte integer blas calls [4] 17012 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_12.F back to 8-byte integer blas calls [1] 17057 converting ccsdt_lambda1_13_1.F back to 8-byte integer blas calls [2] 17058 converting ccsdt_lambda1_13_2.F back to 8-byte integer blas calls [3] 17059 converting ccsdt_lambda1_13.F back to 8-byte integer blas calls [4] 17060 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_1.F back to 8-byte integer blas calls [1] 17146 converting ccsdt_lambda1_14_2.F back to 8-byte integer blas calls [2] 17147 converting ccsdt_lambda1_14_3_1.F back to 8-byte integer blas calls [3] 17148 converting ccsdt_lambda1_14_3_2.F back to 8-byte integer blas calls [4] 17149 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_3_3_1.F back to 8-byte integer blas calls [1] 17252 converting ccsdt_lambda1_14_3_3_2.F back to 8-byte integer blas calls [2] 17253 converting ccsdt_lambda1_14_3_3.F back to 8-byte integer blas calls [3] 17254 converting ccsdt_lambda1_14_3.F back to 8-byte integer blas calls [4] 17255 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_4_1.F back to 8-byte integer blas calls [1] 17376 converting ccsdt_lambda1_14_4.F back to 8-byte integer blas calls [2] 17377 converting ccsdt_lambda1_14_5_1.F back to 8-byte integer blas calls [3] 17378 converting ccsdt_lambda1_14_5_2.F back to 8-byte integer blas calls [4] 17379 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_5.F back to 8-byte integer blas calls [1] 17415 converting ccsdt_lambda1_14_6_1.F back to 8-byte integer blas calls [2] 17416 converting ccsdt_lambda1_14_6.F back to 8-byte integer blas calls [3] 17417 converting ccsdt_lambda1_14_7_1.F back to 8-byte integer blas calls [4] 17418 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_7.F back to 8-byte integer blas calls [1] 17450 converting ccsdt_lambda1_14_8_1.F back to 8-byte integer blas calls [2] 17452 converting ccsdt_lambda1_14_8.F back to 8-byte integer blas calls [3] 17453 converting ccsdt_lambda1_14_9_1_1.F back to 8-byte integer blas calls [4] 17454 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_14_9_1.F back to 8-byte integer blas calls [1] 17473 converting ccsdt_lambda1_14_9.F back to 8-byte integer blas calls [2] 17474 converting ccsdt_lambda1_14.F back to 8-byte integer blas calls [3] 17475 converting ccsdt_lambda1_15_1.F back to 8-byte integer blas calls [4] 17476 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_15_2.F back to 8-byte integer blas calls [1] 17525 converting ccsdt_lambda1_15_3_1.F back to 8-byte integer blas calls [2] 17526 converting ccsdt_lambda1_15_3.F back to 8-byte integer blas calls [3] 17527 converting ccsdt_lambda1_15_4_1.F back to 8-byte integer blas calls [4] 17528 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_15_4.F back to 8-byte integer blas calls [1] 17577 converting ccsdt_lambda1_15.F back to 8-byte integer blas calls [2] 17578 converting ccsdt_lambda1_16_1.F back to 8-byte integer blas calls [3] 17579 converting ccsdt_lambda1_16_2.F back to 8-byte integer blas calls [4] 17580 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_16_3_1.F back to 8-byte integer blas calls [1] 17641 converting ccsdt_lambda1_16_3_2.F back to 8-byte integer blas calls [2] 17642 converting ccsdt_lambda1_16_3.F back to 8-byte integer blas calls [3] 17643 converting ccsdt_lambda1_16_4_1.F back to 8-byte integer blas calls [4] 17644 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_16_4.F back to 8-byte integer blas calls [1] 17713 converting ccsdt_lambda1_16.F back to 8-byte integer blas calls [2] 17714 converting ccsdt_lambda1_17_1.F back to 8-byte integer blas calls [3] 17715 converting ccsdt_lambda1_17.F back to 8-byte integer blas calls [4] 17716 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_1_2.F back to 8-byte integer blas calls [1] 17743 converting ccsdt_lambda1_18_1_3.F back to 8-byte integer blas calls [2] 17744 converting ccsdt_lambda1_18_1_4.F back to 8-byte integer blas calls [3] 17746 converting ccsdt_lambda1_18_1.F back to 8-byte integer blas calls [4] 17747 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_2_2.F back to 8-byte integer blas calls [1] 17771 converting ccsdt_lambda1_18_2.F back to 8-byte integer blas calls [2] 17772 converting ccsdt_lambda1_18_3_2.F back to 8-byte integer blas calls [3] 17773 converting ccsdt_lambda1_18_3.F back to 8-byte integer blas calls [4] 17774 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_4.F back to 8-byte integer blas calls [1] 17801 converting ccsdt_lambda1_18_5_1.F back to 8-byte integer blas calls [2] 17802 converting ccsdt_lambda1_18_5.F back to 8-byte integer blas calls [3] 17803 converting ccsdt_lambda1_18_6_1_1.F back to 8-byte integer blas calls [4] 17804 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_18_6_1.F back to 8-byte integer blas calls [1] 17821 converting ccsdt_lambda1_18_6.F back to 8-byte integer blas calls [2] 17822 converting ccsdt_lambda1_18.F back to 8-byte integer blas calls [3] 17823 converting ccsdt_lambda1_19_1.F back to 8-byte integer blas calls [4] 17824 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_19.F back to 8-byte integer blas calls [1] 17842 converting ccsdt_lambda1_20_1_1.F back to 8-byte integer blas calls [2] 17843 converting ccsdt_lambda1_20_1.F back to 8-byte integer blas calls [3] 17844 converting ccsdt_lambda1_20.F back to 8-byte integer blas calls [4] 17845 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_21_1_1.F back to 8-byte integer blas calls [1] 17891 converting ccsdt_lambda1_21_1.F back to 8-byte integer blas calls [2] 17893 converting ccsdt_lambda1_21_2_1_1.F back to 8-byte integer blas calls [3] 17894 converting ccsdt_lambda1_21_2_1.F back to 8-byte integer blas calls [4] 17895 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_21_2.F back to 8-byte integer blas calls [1] 17988 converting ccsdt_lambda1_21.F back to 8-byte integer blas calls [2] 17989 converting ccsdt_lambda1_2_2_2.F back to 8-byte integer blas calls [3] 17990 converting ccsdt_lambda1_2_2.F back to 8-byte integer blas calls [4] 17991 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_2_3.F back to 8-byte integer blas calls [1] 18067 converting ccsdt_lambda1_2_4.F back to 8-byte integer blas calls [2] 18068 converting ccsdt_lambda1_2.F back to 8-byte integer blas calls [3] 18069 converting ccsdt_lambda1_3_2.F back to 8-byte integer blas calls [4] 18070 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_3_3_1.F back to 8-byte integer blas calls [1] 18128 converting ccsdt_lambda1_3_3.F back to 8-byte integer blas calls [2] 18130 converting ccsdt_lambda1_3.F back to 8-byte integer blas calls [3] 18131 converting ccsdt_lambda1_4.F back to 8-byte integer blas calls [4] 18133 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_2_2_2.F back to 8-byte integer blas calls [1] 18189 converting ccsdt_lambda1_5_2_2.F back to 8-byte integer blas calls [2] 18190 converting ccsdt_lambda1_5_2_3.F back to 8-byte integer blas calls [3] 18191 converting ccsdt_lambda1_5_2_4.F back to 8-byte integer blas calls [4] 18192 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_2.F back to 8-byte integer blas calls [1] 18250 converting ccsdt_lambda1_5_3_2.F back to 8-byte integer blas calls [2] 18251 converting ccsdt_lambda1_5_3.F back to 8-byte integer blas calls [3] 18252 converting ccsdt_lambda1_5_4.F back to 8-byte integer blas calls [4] 18253 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_5_2.F back to 8-byte integer blas calls [1] 18306 converting ccsdt_lambda1_5_5.F back to 8-byte integer blas calls [2] 18307 converting ccsdt_lambda1_5_6_2.F back to 8-byte integer blas calls [3] 18308 converting ccsdt_lambda1_5_6.F back to 8-byte integer blas calls [4] 18309 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_5_7.F back to 8-byte integer blas calls [1] 18417 converting ccsdt_lambda1_5_8.F back to 8-byte integer blas calls [2] 18419 converting ccsdt_lambda1_5.F back to 8-byte integer blas calls [3] 18420 converting ccsdt_lambda1_6_2_2_2.F back to 8-byte integer blas calls [4] 18421 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_6_2_2.F back to 8-byte integer blas calls [1] 18519 converting ccsdt_lambda1_6_2_3.F back to 8-byte integer blas calls [2] 18520 converting ccsdt_lambda1_6_2.F back to 8-byte integer blas calls [3] 18521 converting ccsdt_lambda1_6_3_2.F back to 8-byte integer blas calls [4] 18522 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_6_3.F back to 8-byte integer blas calls [1] 18619 converting ccsdt_lambda1_6_4_2.F back to 8-byte integer blas calls [2] 18621 converting ccsdt_lambda1_6_4.F back to 8-byte integer blas calls [3] 18623 converting ccsdt_lambda1_6_5_2.F back to 8-byte integer blas calls [4] 18625 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_6_5.F back to 8-byte integer blas calls [1] 18717 converting ccsdt_lambda1_6_6.F back to 8-byte integer blas calls [2] 18718 converting ccsdt_lambda1_6_7.F back to 8-byte integer blas calls [3] 18720 converting ccsdt_lambda1_6.F back to 8-byte integer blas calls [4] 18721 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_7_2.F back to 8-byte integer blas calls [1] 18794 converting ccsdt_lambda1_7.F back to 8-byte integer blas calls [2] 18796 converting ccsdt_lambda1_8_10_2.F back to 8-byte integer blas calls [3] 18798 converting ccsdt_lambda1_8_10.F back to 8-byte integer blas calls [4] 18800 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_11.F back to 8-byte integer blas calls [1] 18874 converting ccsdt_lambda1_8_12_1.F back to 8-byte integer blas calls [2] 18875 converting ccsdt_lambda1_8_12_2.F back to 8-byte integer blas calls [3] 18877 converting ccsdt_lambda1_8_12_3.F back to 8-byte integer blas calls [4] 18878 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_12.F back to 8-byte integer blas calls [1] 18980 converting ccsdt_lambda1_8_13_1.F back to 8-byte integer blas calls [2] 18981 converting ccsdt_lambda1_8_13_2.F back to 8-byte integer blas calls [3] 18982 converting ccsdt_lambda1_8_13_3.F back to 8-byte integer blas calls [4] 18983 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_13.F back to 8-byte integer blas calls [1] 19053 converting ccsdt_lambda1_8_14_1.F back to 8-byte integer blas calls [2] 19054 converting ccsdt_lambda1_8_14_2.F back to 8-byte integer blas calls [3] 19055 converting ccsdt_lambda1_8_14.F back to 8-byte integer blas calls [4] 19056 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_2_2_2_2.F back to 8-byte integer blas calls [1] 19153 converting ccsdt_lambda1_8_2_2_2.F back to 8-byte integer blas calls [2] 19154 converting ccsdt_lambda1_8_2_2_3.F back to 8-byte integer blas calls [3] 19155 converting ccsdt_lambda1_8_2_2.F back to 8-byte integer blas calls [4] 19157 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_2_3_2.F back to 8-byte integer blas calls [1] 19215 converting ccsdt_lambda1_8_2_3.F back to 8-byte integer blas calls [2] 19216 converting ccsdt_lambda1_8_2_4.F back to 8-byte integer blas calls [3] 19217 converting ccsdt_lambda1_8_2_5_1.F back to 8-byte integer blas calls [4] 19218 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_2_5.F back to 8-byte integer blas calls [1] 19285 converting ccsdt_lambda1_8_2.F back to 8-byte integer blas calls [2] 19287 converting ccsdt_lambda1_8_3_2.F back to 8-byte integer blas calls [3] 19288 converting ccsdt_lambda1_8_3.F back to 8-byte integer blas calls [4] 19290 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_4_2_1.F back to 8-byte integer blas calls [1] 19409 converting ccsdt_lambda1_8_4_2.F back to 8-byte integer blas calls [2] 19410 converting ccsdt_lambda1_8_4.F back to 8-byte integer blas calls [3] 19412 converting ccsdt_lambda1_8_5_2_1.F back to 8-byte integer blas calls [4] 19414 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_5_2.F back to 8-byte integer blas calls [1] 19702 converting ccsdt_lambda1_8_5.F back to 8-byte integer blas calls [2] 19706 converting ccsdt_lambda1_8_6_2_2.F back to 8-byte integer blas calls [3] 19707 converting ccsdt_lambda1_8_6_2.F back to 8-byte integer blas calls [4] 19708 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_6_3.F back to 8-byte integer blas calls [1] 19955 converting ccsdt_lambda1_8_6.F back to 8-byte integer blas calls [2] 19957 converting ccsdt_lambda1_8_7_2.F back to 8-byte integer blas calls [3] 19958 converting ccsdt_lambda1_8_7_3.F back to 8-byte integer blas calls [4] 19959 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8_7.F back to 8-byte integer blas calls [1] 20160 converting ccsdt_lambda1_8_8.F back to 8-byte integer blas calls [2] 20162 converting ccsdt_lambda1_8_9_2.F back to 8-byte integer blas calls [3] 20163 converting ccsdt_lambda1_8_9.F back to 8-byte integer blas calls [4] 20165 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_8.F back to 8-byte integer blas calls [1] 20358 converting ccsdt_lambda1_9_2.F back to 8-byte integer blas calls [2] 20359 converting ccsdt_lambda1_9_3.F back to 8-byte integer blas calls [3] 20361 converting ccsdt_lambda1_9_4_1.F back to 8-byte integer blas calls [4] 20362 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_9_4_2.F back to 8-byte integer blas calls [1] 20472 converting ccsdt_lambda1_9_4_3.F back to 8-byte integer blas calls [2] 20473 converting ccsdt_lambda1_9_4.F back to 8-byte integer blas calls [3] 20474 converting ccsdt_lambda1_9_5_1.F back to 8-byte integer blas calls [4] 20478 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_9_5_2.F back to 8-byte integer blas calls [1] 20493 converting ccsdt_lambda1_9_5.F back to 8-byte integer blas calls [2] 20494 converting ccsdt_lambda1_9_6_1.F back to 8-byte integer blas calls [3] 20495 converting ccsdt_lambda1_9_6.F back to 8-byte integer blas calls [4] 20496 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda1_9.F back to 8-byte integer blas calls [1] 20502 converting ccsdt_lambda2_10_2_2_2.F back to 8-byte integer blas calls [2] 20503 converting ccsdt_lambda2_10_2_2.F back to 8-byte integer blas calls [3] 20504 converting ccsdt_lambda2_10_2_3.F back to 8-byte integer blas calls [4] 20505 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_10_2_4.F back to 8-byte integer blas calls [1] 20510 converting ccsdt_lambda2_10_2.F back to 8-byte integer blas calls [2] 20511 converting ccsdt_lambda2_10_3_2.F back to 8-byte integer blas calls [3] 20512 converting ccsdt_lambda2_10_3_3.F back to 8-byte integer blas calls [4] 20513 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_10_3.F back to 8-byte integer blas calls [1] 20529 converting ccsdt_lambda2_10_4.F back to 8-byte integer blas calls [2] 20530 converting ccsdt_lambda2_10_5_2.F back to 8-byte integer blas calls [3] 20531 converting ccsdt_lambda2_10_5.F back to 8-byte integer blas calls [4] 20532 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_10_6.F back to 8-byte integer blas calls [1] 20577 converting ccsdt_lambda2_10_7.F back to 8-byte integer blas calls [2] 20578 converting ccsdt_lambda2_10_8.F back to 8-byte integer blas calls [3] 20579 converting ccsdt_lambda2_10.F back to 8-byte integer blas calls [4] 20580 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11_2_2_2.F back to 8-byte integer blas calls [1] 20616 converting ccsdt_lambda2_11_2_2.F back to 8-byte integer blas calls [2] 20617 converting ccsdt_lambda2_11_2_3.F back to 8-byte integer blas calls [3] 20618 converting ccsdt_lambda2_11_2.F back to 8-byte integer blas calls [4] 20619 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11_3_2.F back to 8-byte integer blas calls [1] 20644 converting ccsdt_lambda2_11_3.F back to 8-byte integer blas calls [2] 20645 converting ccsdt_lambda2_11_4_2.F back to 8-byte integer blas calls [3] 20646 converting ccsdt_lambda2_11_4.F back to 8-byte integer blas calls [4] 20647 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11_5_2.F back to 8-byte integer blas calls [1] 20681 converting ccsdt_lambda2_11_5.F back to 8-byte integer blas calls [2] 20682 converting ccsdt_lambda2_11_6.F back to 8-byte integer blas calls [3] 20683 converting ccsdt_lambda2_11_7.F back to 8-byte integer blas calls [4] 20684 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_11.F back to 8-byte integer blas calls [1] 20743 converting ccsdt_lambda2_12_2.F back to 8-byte integer blas calls [2] 20744 converting ccsdt_lambda2_12_3_2.F back to 8-byte integer blas calls [3] 20745 converting ccsdt_lambda2_12_3.F back to 8-byte integer blas calls [4] 20746 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_12_4.F back to 8-byte integer blas calls [1] 20805 converting ccsdt_lambda2_12_5.F back to 8-byte integer blas calls [2] 20806 converting ccsdt_lambda2_12_6_1.F back to 8-byte integer blas calls [3] 20808 converting ccsdt_lambda2_12_6.F back to 8-byte integer blas calls [4] 20809 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_12_7_1.F back to 8-byte integer blas calls [1] 20854 converting ccsdt_lambda2_12_7.F back to 8-byte integer blas calls [2] 20855 converting ccsdt_lambda2_12.F back to 8-byte integer blas calls [3] 20857 converting ccsdt_lambda2_13_1.F back to 8-byte integer blas calls [4] 20858 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_13_2.F back to 8-byte integer blas calls [1] 20896 converting ccsdt_lambda2_13_3.F back to 8-byte integer blas calls [2] 20897 converting ccsdt_lambda2_13.F back to 8-byte integer blas calls [3] 20898 converting ccsdt_lambda2_14_1.F back to 8-byte integer blas calls [4] 20900 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_14_2.F back to 8-byte integer blas calls [1] 20995 converting ccsdt_lambda2_14.F back to 8-byte integer blas calls [2] 20997 converting ccsdt_lambda2_15_1.F back to 8-byte integer blas calls [3] 20998 converting ccsdt_lambda2_15_2.F back to 8-byte integer blas calls [4] 21000 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_15.F back to 8-byte integer blas calls [1] 21133 converting ccsdt_lambda2_16_1.F back to 8-byte integer blas calls [2] 21134 converting ccsdt_lambda2_16_2.F back to 8-byte integer blas calls [3] 21135 converting ccsdt_lambda2_16.F back to 8-byte integer blas calls [4] 21137 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_17_1.F back to 8-byte integer blas calls [1] 21175 converting ccsdt_lambda2_17.F back to 8-byte integer blas calls [2] 21176 converting ccsdt_lambda2_18_1.F back to 8-byte integer blas calls [3] 21177 converting ccsdt_lambda2_18_2.F back to 8-byte integer blas calls [4] 21178 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_18.F back to 8-byte integer blas calls [1] 21208 converting ccsdt_lambda2_19_1.F back to 8-byte integer blas calls [2] 21209 converting ccsdt_lambda2_19_2.F back to 8-byte integer blas calls [3] 21210 converting ccsdt_lambda2_19_3_1.F back to 8-byte integer blas calls [4] 21211 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_19_3.F back to 8-byte integer blas calls [1] 21252 converting ccsdt_lambda2_19_4_1.F back to 8-byte integer blas calls [2] 21253 converting ccsdt_lambda2_19_4.F back to 8-byte integer blas calls [3] 21254 converting ccsdt_lambda2_19.F back to 8-byte integer blas calls [4] 21255 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_20_1.F back to 8-byte integer blas calls [1] 21327 converting ccsdt_lambda2_20.F back to 8-byte integer blas calls [2] 21328 converting ccsdt_lambda2_21_1.F back to 8-byte integer blas calls [3] 21329 converting ccsdt_lambda2_21.F back to 8-byte integer blas calls [4] 21330 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_22_1.F back to 8-byte integer blas calls [1] 21370 converting ccsdt_lambda2_2_2.F back to 8-byte integer blas calls [2] 21371 converting ccsdt_lambda2_22.F back to 8-byte integer blas calls [3] 21372 converting ccsdt_lambda2_23_1.F back to 8-byte integer blas calls [4] 21373 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_23_2_1.F back to 8-byte integer blas calls [1] 21414 converting ccsdt_lambda2_23_2_2.F back to 8-byte integer blas calls [2] 21415 converting ccsdt_lambda2_23_2.F back to 8-byte integer blas calls [3] 21416 converting ccsdt_lambda2_23_3_1.F back to 8-byte integer blas calls [4] 21417 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_23_3.F back to 8-byte integer blas calls [1] 21446 converting ccsdt_lambda2_23.F back to 8-byte integer blas calls [2] 21448 converting ccsdt_lambda2_24_1_1.F back to 8-byte integer blas calls [3] 21449 converting ccsdt_lambda2_24_1.F back to 8-byte integer blas calls [4] 21451 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_24.F back to 8-byte integer blas calls [1] 21491 converting ccsdt_lambda2_25_1_1.F back to 8-byte integer blas calls [2] 21492 converting ccsdt_lambda2_25_1.F back to 8-byte integer blas calls [3] 21493 converting ccsdt_lambda2_25.F back to 8-byte integer blas calls [4] 21494 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_26_1_1.F back to 8-byte integer blas calls [1] 21539 converting ccsdt_lambda2_26_1.F back to 8-byte integer blas calls [2] 21540 converting ccsdt_lambda2_26_2_1_1.F back to 8-byte integer blas calls [3] 21542 converting ccsdt_lambda2_26_2_1.F back to 8-byte integer blas calls [4] 21543 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_26_2.F back to 8-byte integer blas calls [1] 21571 converting ccsdt_lambda2_26.F back to 8-byte integer blas calls [2] 21572 converting ccsdt_lambda2_2.F back to 8-byte integer blas calls [3] 21573 converting ccsdt_lambda2_3_2.F back to 8-byte integer blas calls [4] 21574 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_3.F back to 8-byte integer blas calls [1] 21601 converting ccsdt_lambda2_4.F back to 8-byte integer blas calls [2] 21602 converting ccsdt_lambda2_5_2_2.F back to 8-byte integer blas calls [3] 21603 converting ccsdt_lambda2_5_2.F back to 8-byte integer blas calls [4] 21604 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_5_3.F back to 8-byte integer blas calls [1] 21620 converting ccsdt_lambda2_5_4.F back to 8-byte integer blas calls [2] 21621 converting ccsdt_lambda2_5.F back to 8-byte integer blas calls [3] 21622 converting ccsdt_lambda2_6_2.F back to 8-byte integer blas calls [4] 21623 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_6_3.F back to 8-byte integer blas calls [1] 21639 converting ccsdt_lambda2_6_4_1.F back to 8-byte integer blas calls [2] 21640 converting ccsdt_lambda2_6_4.F back to 8-byte integer blas calls [3] 21641 converting ccsdt_lambda2_6.F back to 8-byte integer blas calls [4] 21642 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_7_2_2.F back to 8-byte integer blas calls [1] 21657 converting ccsdt_lambda2_7_2.F back to 8-byte integer blas calls [2] 21658 converting ccsdt_lambda2_7_3.F back to 8-byte integer blas calls [3] 21659 converting ccsdt_lambda2_7.F back to 8-byte integer blas calls [4] 21661 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda2_8_2.F back to 8-byte integer blas calls [1] 21677 converting ccsdt_lambda2_8_3.F back to 8-byte integer blas calls [2] 21678 converting ccsdt_lambda2_8.F back to 8-byte integer blas calls [3] 21679 converting ccsdt_lambda2_9.F back to 8-byte integer blas calls [4] 21680 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_lambda3.F back to 8-byte integer blas calls [1] 21697 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in eomccsdt /build/nwchem-6.8.1/src/config/32_to_64 eomccsdt_denominator.F eomccsdt_density1_1_1.F eomccsdt_density1_1_2.F eomccsdt_density1_1_3.F eomccsdt_density1_1.F eomccsdt_density1_2_1.F eomccsdt_density1_2_2_1.F eomccsdt_density1_2_2.F eomccsdt_density1_2.F eomccsdt_density1_3_1.F eomccsdt_density1_3_2.F eomccsdt_density1_3_3.F eomccsdt_density1_3_4_1.F eomccsdt_density1_3_4_2.F eomccsdt_density1_3_4_3.F eomccsdt_density1_3_4.F eomccsdt_density1_3_5_1.F eomccsdt_density1_3_5_2.F eomccsdt_density1_3_5.F eomccsdt_density1_3_6_1.F eomccsdt_density1_3_6.F eomccsdt_density1_3.F eomccsdt_density1_4_1.F eomccsdt_density1_4_2_1.F eomccsdt_density1_4_2.F eomccsdt_density1_4.F eomccsdt_density1_5_10_1.F eomccsdt_density1_5_10_2_1.F eomccsdt_density1_5_10_2_2.F eomccsdt_density1_5_10_2.F eomccsdt_density1_5_10_3_1.F eomccsdt_density1_5_10_3.F eomccsdt_density1_5_10.F eomccsdt_density1_5_11_1.F eomccsdt_density1_5_11.F eomccsdt_density1_5_12_1.F eomccsdt_density1_5_12.F eomccsdt_density1_5_13_1_1.F eomccsdt_density1_5_13_1.F eomccsdt_density1_5_13.F eomccsdt_density1_5_1.F eomccsdt_density1_5_2.F eomccsdt_density1_5_3_1.F eomccsdt_density1_5_3_2.F eomccsdt_density1_5_3_3.F eomccsdt_density1_5_3_4_1.F eomccsdt_density1_5_3_4_2.F eomccsdt_density1_5_3_4_3.F eomccsdt_density1_5_3_4.F eomccsdt_density1_5_3_5_1.F eomccsdt_density1_5_3_5_2.F eomccsdt_density1_5_3_5.F eomccsdt_density1_5_3_6_1.F eomccsdt_density1_5_3_6.F eomccsdt_density1_5_3.F eomccsdt_density1_5_4_1.F eomccsdt_density1_5_4_2.F eomccsdt_density1_5_4_3.F eomccsdt_density1_5_4.F eomccsdt_density1_5_5_1.F eomccsdt_density1_5_5_2.F eomccsdt_density1_5_5_3.F eomccsdt_density1_5_5.F eomccsdt_density1_5_6_1.F eomccsdt_density1_5_6_2.F eomccsdt_density1_5_6.F eomccsdt_density1_5_7_1.F eomccsdt_density1_5_7.F eomccsdt_density1_5_8_1.F eomccsdt_density1_5_8_2.F eomccsdt_density1_5_8_3.F eomccsdt_density1_5_8.F eomccsdt_density1_5_9_1.F eomccsdt_density1_5_9_2.F eomccsdt_density1_5_9.F eomccsdt_density1_5.F eomccsdt_density1_6_1.F eomccsdt_density1_6_2.F eomccsdt_density1_6_3_1.F eomccsdt_density1_6_3_2.F eomccsdt_density1_6_3.F eomccsdt_density1_6_4_1.F eomccsdt_density1_6_4_2.F eomccsdt_density1_6_4.F eomccsdt_density1_6_5_1.F eomccsdt_density1_6_5.F eomccsdt_density1_6.F eomccsdt_x1a.F eomccsdt_x1.F eomccsdt_x2a_all12.F eomccsdt_x2a_all15.F eomccsdt_x2a_all18.F eomccsdt_x2a_all3.F eomccsdt_x2a_all6.F eomccsdt_x2a_all9.F eomccsdt_x2_all12.F eomccsdt_x2_all15.F eomccsdt_x2_all18.F eomccsdt_x2_all3.F eomccsdt_x2_all6.F eomccsdt_x2_all9.F eomccsdt_x3a_all12.F eomccsdt_x3a_all15.F eomccsdt_x3a_all17.F eomccsdt_x3a_all3.F eomccsdt_x3a_all6.F eomccsdt_x3a_all9.F eomccsdt_x3_all12.F eomccsdt_x3_all15.F eomccsdt_x3_all17.F eomccsdt_x3_all3.F eomccsdt_x3_all6.F eomccsdt_x3_all9.F eomccsdt_y1_all12.F eomccsdt_y1_all15.F eomccsdt_y1_all18.F eomccsdt_y1_all20.F eomccsdt_y1_all3.F eomccsdt_y1_all6.F eomccsdt_y1_all9.F eomccsdt_y2_all12.F eomccsdt_y2_all15.F eomccsdt_y2_all18.F eomccsdt_y2_all21.F eomccsdt_y2_all24.F eomccsdt_y2_all25.F eomccsdt_y2_all3.F eomccsdt_y2_all6.F eomccsdt_y2_all9.F eomccsdt_y3.F converting eomccsdt_denominator.F back to 8-byte integer blas calls [1] 22905 converting eomccsdt_density1_1_1.F back to 8-byte integer blas calls [2] 22906 converting eomccsdt_density1_1_2.F back to 8-byte integer blas calls [3] 22907 converting eomccsdt_density1_1_3.F back to 8-byte integer blas calls [4] 22909 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_1.F back to 8-byte integer blas calls [1] 22950 converting eomccsdt_density1_2_1.F back to 8-byte integer blas calls [2] 22951 converting eomccsdt_density1_2_2_1.F back to 8-byte integer blas calls [3] 22952 converting eomccsdt_density1_2_2.F back to 8-byte integer blas calls [4] 22953 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_2.F back to 8-byte integer blas calls [1] 22968 converting eomccsdt_density1_3_1.F back to 8-byte integer blas calls [2] 22969 converting eomccsdt_density1_3_2.F back to 8-byte integer blas calls [3] 22970 converting eomccsdt_density1_3_3.F back to 8-byte integer blas calls [4] 22971 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_3_4_1.F back to 8-byte integer blas calls [1] 22995 converting eomccsdt_density1_3_4_2.F back to 8-byte integer blas calls [2] 22996 converting eomccsdt_density1_3_4_3.F back to 8-byte integer blas calls [3] 22997 converting eomccsdt_density1_3_4.F back to 8-byte integer blas calls [4] 22998 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_3_5_1.F back to 8-byte integer blas calls [1] 23031 converting eomccsdt_density1_3_5_2.F back to 8-byte integer blas calls [2] 23032 converting eomccsdt_density1_3_5.F back to 8-byte integer blas calls [3] 23033 converting eomccsdt_density1_3_6_1.F back to 8-byte integer blas calls [4] 23034 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_3_6.F back to 8-byte integer blas calls [1] 23067 converting eomccsdt_density1_3.F back to 8-byte integer blas calls [2] 23068 converting eomccsdt_density1_4_1.F back to 8-byte integer blas calls [3] 23069 converting eomccsdt_density1_4_2_1.F back to 8-byte integer blas calls [4] 23070 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_4_2.F back to 8-byte integer blas calls [1] 23087 converting eomccsdt_density1_4.F back to 8-byte integer blas calls [2] 23089 converting eomccsdt_density1_5_10_1.F back to 8-byte integer blas calls [3] 23090 converting eomccsdt_density1_5_10_2_1.F back to 8-byte integer blas calls [4] 23091 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_10_2_2.F back to 8-byte integer blas calls [1] 23130 converting eomccsdt_density1_5_10_2.F back to 8-byte integer blas calls [2] 23131 converting eomccsdt_density1_5_10_3_1.F back to 8-byte integer blas calls [3] 23132 converting eomccsdt_density1_5_10_3.F back to 8-byte integer blas calls [4] 23133 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_10.F back to 8-byte integer blas calls [1] 23176 converting eomccsdt_density1_5_11_1.F back to 8-byte integer blas calls [2] 23177 converting eomccsdt_density1_5_11.F back to 8-byte integer blas calls [3] 23178 converting eomccsdt_density1_5_12_1.F back to 8-byte integer blas calls [4] 23179 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_12.F back to 8-byte integer blas calls [1] 23222 converting eomccsdt_density1_5_13_1_1.F back to 8-byte integer blas calls [2] 23223 converting eomccsdt_density1_5_13_1.F back to 8-byte integer blas calls [3] 23224 converting eomccsdt_density1_5_13.F back to 8-byte integer blas calls [4] 23225 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_1.F back to 8-byte integer blas calls [1] 23256 converting eomccsdt_density1_5_2.F back to 8-byte integer blas calls [2] 23257 converting eomccsdt_density1_5_3_1.F back to 8-byte integer blas calls [3] 23258 converting eomccsdt_density1_5_3_2.F back to 8-byte integer blas calls [4] 23259 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_3_3.F back to 8-byte integer blas calls [1] 23314 converting eomccsdt_density1_5_3_4_1.F back to 8-byte integer blas calls [2] 23315 converting eomccsdt_density1_5_3_4_2.F back to 8-byte integer blas calls [3] 23318 converting eomccsdt_density1_5_3_4_3.F back to 8-byte integer blas calls [4] 23319 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_3_4.F back to 8-byte integer blas calls [1] 23367 converting eomccsdt_density1_5_3_5_1.F back to 8-byte integer blas calls [2] 23368 converting eomccsdt_density1_5_3_5_2.F back to 8-byte integer blas calls [3] 23369 converting eomccsdt_density1_5_3_5.F back to 8-byte integer blas calls [4] 23370 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_3_6_1.F back to 8-byte integer blas calls [1] 23418 converting eomccsdt_density1_5_3_6.F back to 8-byte integer blas calls [2] 23419 converting eomccsdt_density1_5_3.F back to 8-byte integer blas calls [3] 23420 converting eomccsdt_density1_5_4_1.F back to 8-byte integer blas calls [4] 23421 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_4_2.F back to 8-byte integer blas calls [1] 23485 converting eomccsdt_density1_5_4_3.F back to 8-byte integer blas calls [2] 23486 converting eomccsdt_density1_5_4.F back to 8-byte integer blas calls [3] 23487 converting eomccsdt_density1_5_5_1.F back to 8-byte integer blas calls [4] 23489 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_5_2.F back to 8-byte integer blas calls [1] 23538 converting eomccsdt_density1_5_5_3.F back to 8-byte integer blas calls [2] 23539 converting eomccsdt_density1_5_5.F back to 8-byte integer blas calls [3] 23540 converting eomccsdt_density1_5_6_1.F back to 8-byte integer blas calls [4] 23541 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_6_2.F back to 8-byte integer blas calls [1] 23573 converting eomccsdt_density1_5_6.F back to 8-byte integer blas calls [2] 23574 converting eomccsdt_density1_5_7_1.F back to 8-byte integer blas calls [3] 23575 converting eomccsdt_density1_5_7.F back to 8-byte integer blas calls [4] 23576 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_8_1.F back to 8-byte integer blas calls [1] 23635 converting eomccsdt_density1_5_8_2.F back to 8-byte integer blas calls [2] 23636 converting eomccsdt_density1_5_8_3.F back to 8-byte integer blas calls [3] 23637 converting eomccsdt_density1_5_8.F back to 8-byte integer blas calls [4] 23639 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_5_9_1.F back to 8-byte integer blas calls [1] 23683 converting eomccsdt_density1_5_9_2.F back to 8-byte integer blas calls [2] 23684 converting eomccsdt_density1_5_9.F back to 8-byte integer blas calls [3] 23686 converting eomccsdt_density1_5.F back to 8-byte integer blas calls [4] 23687 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_6_1.F back to 8-byte integer blas calls [1] 23702 converting eomccsdt_density1_6_2.F back to 8-byte integer blas calls [2] 23703 converting eomccsdt_density1_6_3_1.F back to 8-byte integer blas calls [3] 23704 converting eomccsdt_density1_6_3_2.F back to 8-byte integer blas calls [4] 23706 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_6_3.F back to 8-byte integer blas calls [1] 23733 converting eomccsdt_density1_6_4_1.F back to 8-byte integer blas calls [2] 23734 converting eomccsdt_density1_6_4_2.F back to 8-byte integer blas calls [3] 23736 converting eomccsdt_density1_6_4.F back to 8-byte integer blas calls [4] 23737 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_density1_6_5_1.F back to 8-byte integer blas calls [1] 23753 converting eomccsdt_density1_6_5.F back to 8-byte integer blas calls [2] 23754 converting eomccsdt_density1_6.F back to 8-byte integer blas calls [3] 23755 converting eomccsdt_x1a.F back to 8-byte integer blas calls [4] 23756 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x1.F back to 8-byte integer blas calls [1] 24213 converting eomccsdt_x2a_all12.F back to 8-byte integer blas calls [2] 24214 converting eomccsdt_x2a_all15.F back to 8-byte integer blas calls [3] 24215 converting eomccsdt_x2a_all18.F back to 8-byte integer blas calls [4] 24216 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x2a_all3.F back to 8-byte integer blas calls [1] 24566 converting eomccsdt_x2a_all6.F back to 8-byte integer blas calls [2] 24567 converting eomccsdt_x2a_all9.F back to 8-byte integer blas calls [3] 24568 converting eomccsdt_x2_all12.F back to 8-byte integer blas calls [4] 24569 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x2_all15.F back to 8-byte integer blas calls [1] 24994 converting eomccsdt_x2_all18.F back to 8-byte integer blas calls [2] 24995 converting eomccsdt_x2_all3.F back to 8-byte integer blas calls [3] 24996 converting eomccsdt_x2_all6.F back to 8-byte integer blas calls [4] 24997 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x2_all9.F back to 8-byte integer blas calls [1] 25488 converting eomccsdt_x3a_all12.F back to 8-byte integer blas calls [2] 25489 converting eomccsdt_x3a_all15.F back to 8-byte integer blas calls [3] 25490 converting eomccsdt_x3a_all17.F back to 8-byte integer blas calls [4] 25492 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x3a_all3.F back to 8-byte integer blas calls [1] 25968 converting eomccsdt_x3a_all6.F back to 8-byte integer blas calls [2] 25969 converting eomccsdt_x3a_all9.F back to 8-byte integer blas calls [3] 25970 converting eomccsdt_x3_all12.F back to 8-byte integer blas calls [4] 25971 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x3_all15.F back to 8-byte integer blas calls [1] 27812 converting eomccsdt_x3_all17.F back to 8-byte integer blas calls [2] 27813 converting eomccsdt_x3_all3.F back to 8-byte integer blas calls [3] 27814 converting eomccsdt_x3_all6.F back to 8-byte integer blas calls [4] 27815 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_x3_all9.F back to 8-byte integer blas calls [1] 30192 converting eomccsdt_y1_all12.F back to 8-byte integer blas calls [2] 30194 converting eomccsdt_y1_all15.F back to 8-byte integer blas calls [3] 30195 converting eomccsdt_y1_all18.F back to 8-byte integer blas calls [4] 30196 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y1_all20.F back to 8-byte integer blas calls [1] 32205 converting eomccsdt_y1_all3.F back to 8-byte integer blas calls [2] 32206 converting eomccsdt_y1_all6.F back to 8-byte integer blas calls [3] 32207 converting eomccsdt_y1_all9.F back to 8-byte integer blas calls [4] 32208 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y2_all12.F back to 8-byte integer blas calls [1] 32667 converting eomccsdt_y2_all15.F back to 8-byte integer blas calls [2] 32668 converting eomccsdt_y2_all18.F back to 8-byte integer blas calls [3] 32669 converting eomccsdt_y2_all21.F back to 8-byte integer blas calls [4] 32670 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y2_all24.F back to 8-byte integer blas calls [1] 34318 converting eomccsdt_y2_all25.F back to 8-byte integer blas calls [2] 34319 converting eomccsdt_y2_all3.F back to 8-byte integer blas calls [3] 34320 converting eomccsdt_y2_all6.F back to 8-byte integer blas calls [4] 34322 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting eomccsdt_y2_all9.F back to 8-byte integer blas calls [1] 35439 converting eomccsdt_y3.F back to 8-byte integer blas calls [2] 35440 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsd_alpha /build/nwchem-6.8.1/src/config/32_to_64 alpha_1_1_1.F alpha_1_1_2.F alpha_1_1_3_1.F alpha_1_1_3_2.F alpha_1_1_3.F alpha_1_1_4_1.F alpha_1_1_4_2.F alpha_1_1_4.F alpha_1_1_5_1.F alpha_1_1_5.F alpha_1_1_6_1.F alpha_1_1_6.F alpha_1_1.F alpha_1_2_1.F alpha_1_2_2.F alpha_1_2.F alpha_1_3_1.F alpha_1_3.F alpha_1_4_1.F alpha_1_4.F alpha_1.F alpha_2_1_1.F alpha_2_1.F alpha_2_2_1_1.F alpha_2_2_1_2.F alpha_2_2_1.F alpha_2_2_2_1.F alpha_2_2_2_2.F alpha_2_2_2.F alpha_2_2_3_1.F alpha_2_2_3.F alpha_2_2_4_1.F alpha_2_2_4.F alpha_2_2.F alpha_2_3_1_1.F alpha_2_3_1_2.F alpha_2_3_1_3_1.F alpha_2_3_1_3.F alpha_2_3_1_4_1.F alpha_2_3_1_4.F alpha_2_3_1.F alpha_2_3_2_1.F alpha_2_3_2_2.F alpha_2_3_2_3_1.F alpha_2_3_2_3.F alpha_2_3_2_4_1.F alpha_2_3_2_4.F alpha_2_3_2.F alpha_2_3_3_1.F alpha_2_3_3.F alpha_2_3_4_1.F alpha_2_3_4.F alpha_2_3_5_1.F alpha_2_3_5.F alpha_2_3_6_1.F alpha_2_3_6.F alpha_2_3_7_1.F alpha_2_3_7.F alpha_2_3_8_1.F alpha_2_3_8.F alpha_2_3_9_1_1.F alpha_2_3_9_1.F alpha_2_3_9_2_1.F alpha_2_3_9_2.F alpha_2_3_9.F alpha_2_3.F alpha_2_4_1_1.F alpha_2_4_1.F alpha_2_4.F alpha_2_5_10_1_1.F alpha_2_5_10_1.F alpha_2_5_10_2_1.F alpha_2_5_10_2.F alpha_2_5_10_3_1.F alpha_2_5_10_3.F alpha_2_5_10_4_1.F alpha_2_5_10_4.F alpha_2_5_10_5_1.F alpha_2_5_10_5.F alpha_2_5_10_6_1.F alpha_2_5_10_6.F alpha_2_5_10_7_1.F alpha_2_5_10_7.F alpha_2_5_10_8_1_1.F alpha_2_5_10_8_1.F alpha_2_5_10_8.F alpha_2_5_10.F alpha_2_5_11_1_1.F alpha_2_5_11_1.F alpha_2_5_1_1.F alpha_2_5_11.F alpha_2_5_12_1_1.F alpha_2_5_12_1.F alpha_2_5_1_2.F alpha_2_5_12.F alpha_2_5_13_1_1.F alpha_2_5_1_3_1.F alpha_2_5_13_1.F alpha_2_5_13_2_1.F alpha_2_5_13_2.F alpha_2_5_1_3.F alpha_2_5_13.F alpha_2_5_14_1_1.F alpha_2_5_14_1.F alpha_2_5_14_2_1.F alpha_2_5_14_2.F alpha_2_5_14.F alpha_2_5_1.F alpha_2_5_2_1.F alpha_2_5_2.F alpha_2_5_3_1.F alpha_2_5_3_2.F alpha_2_5_3.F alpha_2_5_4_1.F alpha_2_5_4_2_1.F alpha_2_5_4_2.F alpha_2_5_4.F alpha_2_5_5_1.F alpha_2_5_5_2.F alpha_2_5_5.F alpha_2_5_6_1.F alpha_2_5_6.F alpha_2_5_7_1.F alpha_2_5_7.F alpha_2_5_8_1.F alpha_2_5_8.F alpha_2_5_9_1.F alpha_2_5_9.F alpha_2_5.F alpha_2_6_1_1.F alpha_2_6_1.F alpha_2_6.F alpha_2_7_1_1.F alpha_2_7_1_2_1.F alpha_2_7_1_2.F alpha_2_7_1.F alpha_2_7_2_1.F alpha_2_7_2.F alpha_2_7_3_1.F alpha_2_7_3.F alpha_2_7_4_1.F alpha_2_7_4_2_1.F alpha_2_7_4_2.F alpha_2_7_4.F alpha_2_7_5_1.F alpha_2_7_5.F alpha_2_7_6_1.F alpha_2_7_6.F alpha_2_7_7_1_1.F alpha_2_7_7_1.F alpha_2_7_7.F alpha_2_7.F alpha_2_8_1_1.F alpha_2_8_1.F alpha_2_8_2_1.F alpha_2_8_2.F alpha_2_8_3_1.F alpha_2_8_3.F alpha_2_8_4_1_1.F alpha_2_8_4_1_2_1.F alpha_2_8_4_1_2.F alpha_2_8_4_1.F alpha_2_8_4_2_1.F alpha_2_8_4_2.F alpha_2_8_4_3_1.F alpha_2_8_4_3_2_1.F alpha_2_8_4_3_2.F alpha_2_8_4_3.F alpha_2_8_4_4_1.F alpha_2_8_4_4.F alpha_2_8_4_5_1_1.F alpha_2_8_4_5_1.F alpha_2_8_4_5.F alpha_2_8_4.F alpha_2_8_5_1_1.F alpha_2_8_5_1.F alpha_2_8_5_2_1.F alpha_2_8_5_2.F alpha_2_8_5.F alpha_2_8_6_1_1.F alpha_2_8_6_1.F alpha_2_8_6_2_1.F alpha_2_8_6_2.F alpha_2_8_6_3_1.F alpha_2_8_6_3.F alpha_2_8_6_4_1.F alpha_2_8_6_4.F alpha_2_8_6.F alpha_2_8_7_1_1.F alpha_2_8_7_1.F alpha_2_8_7.F alpha_2_8_8_1_1.F alpha_2_8_8_1.F alpha_2_8_8.F alpha_2_8.F alpha_2.F dip_r_1_1.F dip_r_1_2.F dip_r_1.F dip_r_2.F dip_r.F converting alpha_1_1_1.F back to 8-byte integer blas calls [1] 37574 converting alpha_1_1_2.F back to 8-byte integer blas calls [2] 37575 converting alpha_1_1_3_1.F back to 8-byte integer blas calls [3] 37576 converting alpha_1_1_3_2.F back to 8-byte integer blas calls [4] 37577 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_1_3.F back to 8-byte integer blas calls [1] 37713 converting alpha_1_1_4_1.F back to 8-byte integer blas calls [2] 37714 converting alpha_1_1_4_2.F back to 8-byte integer blas calls [3] 37715 converting alpha_1_1_4.F back to 8-byte integer blas calls [4] 37716 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_1_5_1.F back to 8-byte integer blas calls [1] 37800 converting alpha_1_1_5.F back to 8-byte integer blas calls [2] 37802 converting alpha_1_1_6_1.F back to 8-byte integer blas calls [3] 37803 converting alpha_1_1_6.F back to 8-byte integer blas calls [4] 37804 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_1.F back to 8-byte integer blas calls [1] 37868 converting alpha_1_2_1.F back to 8-byte integer blas calls [2] 37869 converting alpha_1_2_2.F back to 8-byte integer blas calls [3] 37870 converting alpha_1_2.F back to 8-byte integer blas calls [4] 37871 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1_3_1.F back to 8-byte integer blas calls [1] 37941 converting alpha_1_3.F back to 8-byte integer blas calls [2] 37943 converting alpha_1_4_1.F back to 8-byte integer blas calls [3] 37945 converting alpha_1_4.F back to 8-byte integer blas calls [4] 37947 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_1.F back to 8-byte integer blas calls [1] 38022 converting alpha_2_1_1.F back to 8-byte integer blas calls [2] 38023 converting alpha_2_1.F back to 8-byte integer blas calls [3] 38024 converting alpha_2_2_1_1.F back to 8-byte integer blas calls [4] 38025 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_2_1_2.F back to 8-byte integer blas calls [1] 38088 converting alpha_2_2_1.F back to 8-byte integer blas calls [2] 38089 converting alpha_2_2_2_1.F back to 8-byte integer blas calls [3] 38091 converting alpha_2_2_2_2.F back to 8-byte integer blas calls [4] 38093 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_2_2.F back to 8-byte integer blas calls [1] 38199 converting alpha_2_2_3_1.F back to 8-byte integer blas calls [2] 38201 converting alpha_2_2_3.F back to 8-byte integer blas calls [3] 38203 converting alpha_2_2_4_1.F back to 8-byte integer blas calls [4] 38204 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_2_4.F back to 8-byte integer blas calls [1] 38334 converting alpha_2_2.F back to 8-byte integer blas calls [2] 38335 converting alpha_2_3_1_1.F back to 8-byte integer blas calls [3] 38336 converting alpha_2_3_1_2.F back to 8-byte integer blas calls [4] 38337 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_1_3_1.F back to 8-byte integer blas calls [1] 38452 converting alpha_2_3_1_3.F back to 8-byte integer blas calls [2] 38454 converting alpha_2_3_1_4_1.F back to 8-byte integer blas calls [3] 38456 converting alpha_2_3_1_4.F back to 8-byte integer blas calls [4] 38458 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_1.F back to 8-byte integer blas calls [1] 38585 converting alpha_2_3_2_1.F back to 8-byte integer blas calls [2] 38586 converting alpha_2_3_2_2.F back to 8-byte integer blas calls [3] 38587 converting alpha_2_3_2_3_1.F back to 8-byte integer blas calls [4] 38588 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_2_3.F back to 8-byte integer blas calls [1] 38709 converting alpha_2_3_2_4_1.F back to 8-byte integer blas calls [2] 38710 converting alpha_2_3_2_4.F back to 8-byte integer blas calls [3] 38711 converting alpha_2_3_2.F back to 8-byte integer blas calls [4] 38713 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_3_1.F back to 8-byte integer blas calls [1] 38830 converting alpha_2_3_3.F back to 8-byte integer blas calls [2] 38831 converting alpha_2_3_4_1.F back to 8-byte integer blas calls [3] 38832 converting alpha_2_3_4.F back to 8-byte integer blas calls [4] 38833 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_5_1.F back to 8-byte integer blas calls [1] 38941 converting alpha_2_3_5.F back to 8-byte integer blas calls [2] 38942 converting alpha_2_3_6_1.F back to 8-byte integer blas calls [3] 38943 converting alpha_2_3_6.F back to 8-byte integer blas calls [4] 38944 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_7_1.F back to 8-byte integer blas calls [1] 39041 converting alpha_2_3_7.F back to 8-byte integer blas calls [2] 39042 converting alpha_2_3_8_1.F back to 8-byte integer blas calls [3] 39043 converting alpha_2_3_8.F back to 8-byte integer blas calls [4] 39044 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_9_1_1.F back to 8-byte integer blas calls [1] 39135 converting alpha_2_3_9_1.F back to 8-byte integer blas calls [2] 39137 converting alpha_2_3_9_2_1.F back to 8-byte integer blas calls [3] 39140 converting alpha_2_3_9_2.F back to 8-byte integer blas calls [4] 39141 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_3_9.F back to 8-byte integer blas calls [1] 39283 converting alpha_2_3.F back to 8-byte integer blas calls [2] 39285 converting alpha_2_4_1_1.F back to 8-byte integer blas calls [3] 39286 converting alpha_2_4_1.F back to 8-byte integer blas calls [4] 39287 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_4.F back to 8-byte integer blas calls [1] 39324 converting alpha_2_5_10_1_1.F back to 8-byte integer blas calls [2] 39325 converting alpha_2_5_10_1.F back to 8-byte integer blas calls [3] 39326 converting alpha_2_5_10_2_1.F back to 8-byte integer blas calls [4] 39327 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_2.F back to 8-byte integer blas calls [1] 39336 converting alpha_2_5_10_3_1.F back to 8-byte integer blas calls [2] 39337 converting alpha_2_5_10_3.F back to 8-byte integer blas calls [3] 39338 converting alpha_2_5_10_4_1.F back to 8-byte integer blas calls [4] 39339 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_4.F back to 8-byte integer blas calls [1] 39387 converting alpha_2_5_10_5_1.F back to 8-byte integer blas calls [2] 39388 converting alpha_2_5_10_5.F back to 8-byte integer blas calls [3] 39389 converting alpha_2_5_10_6_1.F back to 8-byte integer blas calls [4] 39390 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_6.F back to 8-byte integer blas calls [1] 39443 converting alpha_2_5_10_7_1.F back to 8-byte integer blas calls [2] 39444 converting alpha_2_5_10_7.F back to 8-byte integer blas calls [3] 39446 converting alpha_2_5_10_8_1_1.F back to 8-byte integer blas calls [4] 39447 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_10_8_1.F back to 8-byte integer blas calls [1] 39486 converting alpha_2_5_10_8.F back to 8-byte integer blas calls [2] 39488 converting alpha_2_5_10.F back to 8-byte integer blas calls [3] 39489 converting alpha_2_5_11_1_1.F back to 8-byte integer blas calls [4] 39490 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_11_1.F back to 8-byte integer blas calls [1] 39506 converting alpha_2_5_1_1.F back to 8-byte integer blas calls [2] 39507 converting alpha_2_5_11.F back to 8-byte integer blas calls [3] 39508 converting alpha_2_5_12_1_1.F back to 8-byte integer blas calls [4] 39509 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_12_1.F back to 8-byte integer blas calls [1] 39520 converting alpha_2_5_1_2.F back to 8-byte integer blas calls [2] 39521 converting alpha_2_5_12.F back to 8-byte integer blas calls [3] 39522 converting alpha_2_5_13_1_1.F back to 8-byte integer blas calls [4] 39523 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_1_3_1.F back to 8-byte integer blas calls [1] 39538 converting alpha_2_5_13_1.F back to 8-byte integer blas calls [2] 39539 converting alpha_2_5_13_2_1.F back to 8-byte integer blas calls [3] 39540 converting alpha_2_5_13_2.F back to 8-byte integer blas calls [4] 39541 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_1_3.F back to 8-byte integer blas calls [1] 39561 converting alpha_2_5_13.F back to 8-byte integer blas calls [2] 39562 converting alpha_2_5_14_1_1.F back to 8-byte integer blas calls [3] 39563 converting alpha_2_5_14_1.F back to 8-byte integer blas calls [4] 39564 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_14_2_1.F back to 8-byte integer blas calls [1] 39670 converting alpha_2_5_14_2.F back to 8-byte integer blas calls [2] 39671 converting alpha_2_5_14.F back to 8-byte integer blas calls [3] 39672 converting alpha_2_5_1.F back to 8-byte integer blas calls [4] 39673 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_2_1.F back to 8-byte integer blas calls [1] 39871 converting alpha_2_5_2.F back to 8-byte integer blas calls [2] 39872 converting alpha_2_5_3_1.F back to 8-byte integer blas calls [3] 39873 converting alpha_2_5_3_2.F back to 8-byte integer blas calls [4] 39875 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_3.F back to 8-byte integer blas calls [1] 40071 converting alpha_2_5_4_1.F back to 8-byte integer blas calls [2] 40073 converting alpha_2_5_4_2_1.F back to 8-byte integer blas calls [3] 40075 converting alpha_2_5_4_2.F back to 8-byte integer blas calls [4] 40076 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_4.F back to 8-byte integer blas calls [1] 40199 converting alpha_2_5_5_1.F back to 8-byte integer blas calls [2] 40201 converting alpha_2_5_5_2.F back to 8-byte integer blas calls [3] 40202 converting alpha_2_5_5.F back to 8-byte integer blas calls [4] 40203 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_6_1.F back to 8-byte integer blas calls [1] 40367 converting alpha_2_5_6.F back to 8-byte integer blas calls [2] 40368 converting alpha_2_5_7_1.F back to 8-byte integer blas calls [3] 40370 converting alpha_2_5_7.F back to 8-byte integer blas calls [4] 40372 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5_8_1.F back to 8-byte integer blas calls [1] 40503 converting alpha_2_5_8.F back to 8-byte integer blas calls [2] 40504 converting alpha_2_5_9_1.F back to 8-byte integer blas calls [3] 40506 converting alpha_2_5_9.F back to 8-byte integer blas calls [4] 40507 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_5.F back to 8-byte integer blas calls [1] 40608 converting alpha_2_6_1_1.F back to 8-byte integer blas calls [2] 40610 converting alpha_2_6_1.F back to 8-byte integer blas calls [3] 40611 converting alpha_2_6.F back to 8-byte integer blas calls [4] 40612 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_1_1.F back to 8-byte integer blas calls [1] 40700 converting alpha_2_7_1_2_1.F back to 8-byte integer blas calls [2] 40701 converting alpha_2_7_1_2.F back to 8-byte integer blas calls [3] 40702 converting alpha_2_7_1.F back to 8-byte integer blas calls [4] 40703 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_2_1.F back to 8-byte integer blas calls [1] 40800 converting alpha_2_7_2.F back to 8-byte integer blas calls [2] 40802 converting alpha_2_7_3_1.F back to 8-byte integer blas calls [3] 40803 converting alpha_2_7_3.F back to 8-byte integer blas calls [4] 40804 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_4_1.F back to 8-byte integer blas calls [1] 40901 converting alpha_2_7_4_2_1.F back to 8-byte integer blas calls [2] 40903 converting alpha_2_7_4_2.F back to 8-byte integer blas calls [3] 40905 converting alpha_2_7_4.F back to 8-byte integer blas calls [4] 40907 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_5_1.F back to 8-byte integer blas calls [1] 41043 converting alpha_2_7_5.F back to 8-byte integer blas calls [2] 41044 converting alpha_2_7_6_1.F back to 8-byte integer blas calls [3] 41046 converting alpha_2_7_6.F back to 8-byte integer blas calls [4] 41047 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_7_7_1_1.F back to 8-byte integer blas calls [1] 41139 converting alpha_2_7_7_1.F back to 8-byte integer blas calls [2] 41140 converting alpha_2_7_7.F back to 8-byte integer blas calls [3] 41141 converting alpha_2_7.F back to 8-byte integer blas calls [4] 41143 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_1_1.F back to 8-byte integer blas calls [1] 41172 converting alpha_2_8_1.F back to 8-byte integer blas calls [2] 41173 converting alpha_2_8_2_1.F back to 8-byte integer blas calls [3] 41174 converting alpha_2_8_2.F back to 8-byte integer blas calls [4] 41175 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_3_1.F back to 8-byte integer blas calls [1] 41217 converting alpha_2_8_3.F back to 8-byte integer blas calls [2] 41218 converting alpha_2_8_4_1_1.F back to 8-byte integer blas calls [3] 41219 converting alpha_2_8_4_1_2_1.F back to 8-byte integer blas calls [4] 41220 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_1_2.F back to 8-byte integer blas calls [1] 41252 converting alpha_2_8_4_1.F back to 8-byte integer blas calls [2] 41253 converting alpha_2_8_4_2_1.F back to 8-byte integer blas calls [3] 41254 converting alpha_2_8_4_2.F back to 8-byte integer blas calls [4] 41255 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_3_1.F back to 8-byte integer blas calls [1] 41284 converting alpha_2_8_4_3_2_1.F back to 8-byte integer blas calls [2] 41285 converting alpha_2_8_4_3_2.F back to 8-byte integer blas calls [3] 41286 converting alpha_2_8_4_3.F back to 8-byte integer blas calls [4] 41287 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_4_1.F back to 8-byte integer blas calls [1] 41288 converting alpha_2_8_4_4.F back to 8-byte integer blas calls [2] 41289 converting alpha_2_8_4_5_1_1.F back to 8-byte integer blas calls [3] 41290 converting alpha_2_8_4_5_1.F back to 8-byte integer blas calls [4] 41291 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_4_5.F back to 8-byte integer blas calls [1] 41292 converting alpha_2_8_4.F back to 8-byte integer blas calls [2] 41293 converting alpha_2_8_5_1_1.F back to 8-byte integer blas calls [3] 41294 converting alpha_2_8_5_1.F back to 8-byte integer blas calls [4] 41295 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_5_2_1.F back to 8-byte integer blas calls [1] 41296 converting alpha_2_8_5_2.F back to 8-byte integer blas calls [2] 41297 converting alpha_2_8_5.F back to 8-byte integer blas calls [3] 41298 converting alpha_2_8_6_1_1.F back to 8-byte integer blas calls [4] 41299 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_6_1.F back to 8-byte integer blas calls [1] 41300 converting alpha_2_8_6_2_1.F back to 8-byte integer blas calls [2] 41301 converting alpha_2_8_6_2.F back to 8-byte integer blas calls [3] 41302 converting alpha_2_8_6_3_1.F back to 8-byte integer blas calls [4] 41303 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_6_3.F back to 8-byte integer blas calls [1] 41311 converting alpha_2_8_6_4_1.F back to 8-byte integer blas calls [2] 41312 converting alpha_2_8_6_4.F back to 8-byte integer blas calls [3] 41313 converting alpha_2_8_6.F back to 8-byte integer blas calls [4] 41314 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_7_1_1.F back to 8-byte integer blas calls [1] 41347 converting alpha_2_8_7_1.F back to 8-byte integer blas calls [2] 41349 converting alpha_2_8_7.F back to 8-byte integer blas calls [3] 41351 converting alpha_2_8_8_1_1.F back to 8-byte integer blas calls [4] 41352 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting alpha_2_8_8_1.F back to 8-byte integer blas calls [1] 41406 converting alpha_2_8_8.F back to 8-byte integer blas calls [2] 41407 converting alpha_2_8.F back to 8-byte integer blas calls [3] 41408 converting alpha_2.F back to 8-byte integer blas calls [4] 41410 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dip_r_1_1.F back to 8-byte integer blas calls [1] 41584 converting dip_r_1_2.F back to 8-byte integer blas calls [2] 41585 converting dip_r_1.F back to 8-byte integer blas calls [3] 41586 converting dip_r_2.F back to 8-byte integer blas calls [4] 41587 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dip_r.F back to 8-byte integer blas calls [1] 41621 [1] Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsd_beta /build/nwchem-6.8.1/src/config/32_to_64 beta_1_all.F beta_2_all.F beta_3_all.F beta_4_all.F beta_1_3_3_1_1.F beta_1_4_1_2_1.F beta_1_3_1_4_1.F beta_3_7_5_1_1.F beta_3_1_3_1.F beta_3_2_1_2.F beta_1_4_2_2.F beta_1_3_4_1.F beta_1_4_1_4.F beta_1_3_1_7.F beta_3_7_2_1.F beta_3_2_9_2.F beta_3_3_1.F beta_4_1_2.F beta_3_2_3.F beta_3_4_11_1.F beta_3_4_10_3.F beta_1_4_5.F beta_1_3_7.F beta_1_4_1_1_2_1.F beta_4_3.F beta_3_5.F beta_1_4_2_1_1.F beta_1_4_6_3_1.F beta_3_7_4_3_1.F beta_3_2_2_1.F beta_1_4_3_1.F beta_3_2_1_3.F beta_3_4_10_1_1.F beta_1_4_1_5.F beta_1_3_1_8.F beta_3_6_4_1.F beta_3_4_7_1.F beta_4_2_1.F beta_3_2_4.F beta_1_4_6.F beta_3_4_10_4.F beta_1_3_8.F beta_4_4.F beta_3_6.F beta_3_7_4_5_1_1.F beta_1_1_1_1_1.F beta_1_4_1_3_1.F beta_1_3_1_5_1.F beta_3_6_1_2_1.F beta_3_6_7_1_1.F beta_3_7_5_2_1.F beta_3_7_4_3_2.F beta_3_3_1_1.F beta_3_2_2_2.F beta_3_1_4_1.F beta_3_2_1_4.F beta_1_3_5_1.F beta_1_4_3_2.F beta_3_7_3_1.F beta_3_6_4_2.F beta_3_4_1.F beta_3_4_12_1.F beta_3_2_5.F beta_3_4_10_5.F beta_1_4_6_1_1_1.F beta_3_7.F beta_1_3_4_1_1.F beta_1_4_2_2_1.F beta_1_4_1_3_2.F beta_3_4_4_2_1.F beta_3_7_6_1_1.F beta_3_7_4_4_1.F beta_3_2_3_1.F beta_3_4_10_2_1.F beta_3_2_2_3.F beta_1_4_4_1.F beta_1_4_3_3.F beta_3_6_5_1.F beta_3_4_8_1.F beta_4_3_1.F beta_3_4_2.F beta_3_2_6.F beta_3_4_10_6.F beta_1_1_1_2_1.F beta_1_4_3_1_1.F beta_3_2_1_3_1.F beta_1_4_1_4_1.F beta_1_3_1_6_1.F beta_1_1_1_1.F beta_3_4_11_1_1.F beta_1_3_6_1.F beta_3_2_2_4.F beta_1_4_3_4.F beta_3_7_4_1.F beta_4_3_2.F beta_3_5_1.F beta_3_4_3.F beta_3_4_13_1.F beta_3_2_7.F beta_3_4_10_7.F beta_1_1_2_1_1.F beta_3_7_6_2_1.F beta_3_7_4_5_1.F beta_1_1_1_2.F beta_3_4_1_1.F beta_3_2_4_1.F beta_1_4_5_1.F beta_3_4_10_3_1.F beta_1_3_6_2.F beta_3_7_4_2.F beta_3_6_6_1.F beta_3_4_9_1.F beta_4_4_1.F beta_4_3_3.F beta_3_4_4.F beta_3_4_13_2.F beta_3_2_8.F beta_3_4_10_8.F beta_1_4_6_2_1_1.F beta_1_3_8_1_1_1.F beta_1_2_1_1_1.F beta_1_4_3_2_1.F beta_1_3_5_1_1.F beta_3_2_1_4_1.F beta_1_4_1_5_1.F beta_1_3_1_7_1.F beta_3_7_7_1_1.F beta_1_1_2_1.F beta_3_4_1_2.F beta_1_3_7_1.F beta_3_7_5_1.F beta_3_7_4_3.F beta_1_1_1.F beta_3_6_1.F beta_4_3_4.F beta_3_4_14_1.F beta_3_4_5.F beta_3_2_9.F beta_1_4_1_3_2_1.F beta_1_1_2_2_1.F beta_1_4_4_1_1.F beta_3_2_2_3_1.F beta_3_7_6_3_1.F beta_1_2_1_1.F beta_1_1_2_2.F beta_3_4_2_1.F beta_3_2_5_1.F beta_3_4_12_1_1.F beta_3_4_1_3.F beta_1_4_6_1.F beta_3_4_10_4_1.F beta_1_3_7_2.F beta_3_7_5_2.F beta_3_6_7_1.F beta_3_7_4_4.F beta_1_1_2.F beta_3_6_2.F beta_4_3_5.F beta_3_4_14_2.F beta_3_4_6.F beta_3_7_4_1_2_1.F beta_1_1_3_1_1.F beta_1_4_3_3_1.F beta_1_3_1_8_1.F beta_3_2_9_1_1.F beta_2_1_1_1.F beta_1_1_3_1.F beta_4_3_2_1.F beta_3_5_1_1.F beta_1_4_6_2.F beta_1_3_8_1.F beta_3_7_6_1.F beta_3_7_4_5.F beta_1_2_1.F beta_1_1_3.F beta_3_7_1.F beta_3_6_3.F beta_3_4_7.F beta_1_1.F beta_1_4_6_3_1_1.F beta_1_2_2_1_1.F beta_1_3_6_1_1.F beta_3_2_2_4_1.F beta_3_4_10_8_1_1.F beta_3_7_8_1_1.F beta_3_7_6_4_1.F beta_2_1_1_2.F beta_1_2_2_1.F beta_1_1_3_2.F beta_4_3_2_2.F beta_3_4_3_1.F beta_3_2_6_1.F beta_3_4_10_5_1.F beta_1_4_6_3.F beta_3_7_6_2.F beta_2_1_1.F beta_1_2_2.F beta_3_7_2.F beta_3_6_4.F beta_3_4_8.F beta_1_2.F beta_1_3_1_1_1.F beta_1_1_3_2_1.F beta_1_4_5_1_1.F beta_1_4_3_4_1.F beta_3_2_9_2_1.F beta_2_1_2_1.F beta_1_3_1_1.F beta_4_3_3_1.F beta_3_4_3_2.F beta_3_4_13_1_1.F beta_3_7_7_1.F beta_3_7_6_3.F beta_1_3_1.F beta_2_1_2.F beta_1_2_3.F beta_3_7_3.F beta_3_6_5.F beta_3_4_9.F beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F beta_2_1_2_2.F beta_1_3_1_2.F beta_1_2_3_1.F beta_3_6_1_1.F beta_3_4_4_1.F beta_4_3_3_2.F beta_3_2_7_1.F beta_3_4_10_6_1.F beta_3_7_6_4.F beta_2_1_3.F beta_1_3_2.F beta_3_7_4.F beta_3_6_6.F beta_1_4.F beta_3_4_10.F beta_1_3_1_2_1.F beta_1_2_3_1_1.F beta_3_4_1_3_1.F beta_1_3_7_1_1.F beta_3_1_1_1.F beta_1_3_2_1.F beta_2_1_3_1.F beta_1_3_1_3.F beta_4_3_4_1.F beta_3_6_1_2.F beta_3_4_13_2_1.F beta_3_4_4_2.F beta_3_7_8_1.F beta_3_1_1.F beta_1_4_1.F beta_1_3_3.F beta_2_1_4.F beta_3_7_5.F beta_3_6_7.F beta_3_1.F beta_3_4_11.F beta_1_3_2_1_1.F beta_1_4_6_1_1.F beta_3_7_4_1_1.F beta_1_4_1_1.F beta_3_1_1_2.F beta_1_3_1_4.F beta_3_6_2_1.F beta_3_4_14_1_1.F beta_3_4_5_1.F beta_3_2_8_1.F beta_3_4_10_7_1.F beta_3_1_2.F beta_1_4_2.F beta_1_3_4.F beta_3_7_6.F beta_3_2.F beta_3_4_12.F beta_3_7_4_3_2_1.F beta_1_4_1_1_1.F beta_1_3_1_3_1.F beta_1_3_7_2_1.F beta_3_7_4_1_2.F beta_3_1_2_1.F beta_1_4_1_2.F beta_1_3_3_1.F beta_2_1_4_1.F beta_1_3_1_5.F beta_3_7_1_1.F beta_4_3_5_1.F beta_3_4_5_2.F beta_3_2_1.F beta_3_1_3.F beta_1_4_3.F beta_3_4_10_1.F beta_1_3_5.F beta_3_7_7.F beta_4_1.F beta_3_3.F beta_3_4_13.F beta_1_3_1_8_1_1.F beta_1_4_1_1_2.F beta_1_4_6_2_1.F beta_1_3_8_1_1.F beta_3_7_4_2_1.F beta_3_2_1_1.F beta_1_4_2_1.F beta_3_1_2_2.F beta_1_4_1_3.F beta_1_3_1_6.F beta_3_6_3_1.F beta_3_4_14_2_1.F beta_3_4_6_1.F beta_3_2_9_1.F beta_3_4_10_8_1.F beta_4_1_1.F beta_3_2_2.F beta_3_1_4.F beta_1_4_4.F beta_3_4_10_2.F beta_1_3_6.F beta_3_7_8.F beta_4_2.F beta_3_4.F beta_3_4_14.F converting beta_1_all.F back to 8-byte integer blas calls [1] 42250 converting beta_2_all.F back to 8-byte integer blas calls [2] 42251 converting beta_3_all.F back to 8-byte integer blas calls [3] 42252 converting beta_4_all.F back to 8-byte integer blas calls [4] 42254 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_3_1_1.F back to 8-byte integer blas calls [1] 58524 converting beta_1_4_1_2_1.F back to 8-byte integer blas calls [2] 58525 converting beta_1_3_1_4_1.F back to 8-byte integer blas calls [3] 58526 converting beta_3_7_5_1_1.F back to 8-byte integer blas calls [4] 58527 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_3_1.F back to 8-byte integer blas calls [1] 58558 converting beta_3_2_1_2.F back to 8-byte integer blas calls [2] 58560 converting beta_1_4_2_2.F back to 8-byte integer blas calls [3] 58561 converting beta_1_3_4_1.F back to 8-byte integer blas calls [4] 58562 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_4.F back to 8-byte integer blas calls [1] 58583 converting beta_1_3_1_7.F back to 8-byte integer blas calls [2] 58584 converting beta_3_7_2_1.F back to 8-byte integer blas calls [3] 58585 converting beta_3_2_9_2.F back to 8-byte integer blas calls [4] 58586 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_3_1.F back to 8-byte integer blas calls [1] 58615 converting beta_4_1_2.F back to 8-byte integer blas calls [2] 58616 converting beta_3_2_3.F back to 8-byte integer blas calls [3] 58619 converting beta_3_4_11_1.F back to 8-byte integer blas calls [4] 58624 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_3.F back to 8-byte integer blas calls [1] 58684 converting beta_1_4_5.F back to 8-byte integer blas calls [2] 58685 converting beta_1_3_7.F back to 8-byte integer blas calls [3] 58686 converting beta_1_4_1_1_2_1.F back to 8-byte integer blas calls [4] 58687 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_3.F back to 8-byte integer blas calls [1] 58762 converting beta_3_5.F back to 8-byte integer blas calls [2] 58763 converting beta_1_4_2_1_1.F back to 8-byte integer blas calls [3] 58764 converting beta_1_4_6_3_1.F back to 8-byte integer blas calls [4] 58765 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_3_1.F back to 8-byte integer blas calls [1] 58832 converting beta_3_2_2_1.F back to 8-byte integer blas calls [2] 58833 converting beta_1_4_3_1.F back to 8-byte integer blas calls [3] 58834 converting beta_3_2_1_3.F back to 8-byte integer blas calls [4] 58835 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_1_1.F back to 8-byte integer blas calls [1] 58903 converting beta_1_4_1_5.F back to 8-byte integer blas calls [2] 58905 converting beta_1_3_1_8.F back to 8-byte integer blas calls [3] 58906 converting beta_3_6_4_1.F back to 8-byte integer blas calls [4] 58907 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_7_1.F back to 8-byte integer blas calls [1] 58959 converting beta_4_2_1.F back to 8-byte integer blas calls [2] 58960 converting beta_3_2_4.F back to 8-byte integer blas calls [3] 58961 converting beta_1_4_6.F back to 8-byte integer blas calls [4] 58962 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_4.F back to 8-byte integer blas calls [1] 59003 converting beta_1_3_8.F back to 8-byte integer blas calls [2] 59004 converting beta_4_4.F back to 8-byte integer blas calls [3] 59005 converting beta_3_6.F back to 8-byte integer blas calls [4] 59006 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_5_1_1.F back to 8-byte integer blas calls [1] 59040 converting beta_1_1_1_1_1.F back to 8-byte integer blas calls [2] 59041 converting beta_1_4_1_3_1.F back to 8-byte integer blas calls [3] 59042 converting beta_1_3_1_5_1.F back to 8-byte integer blas calls [4] 59043 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_1_2_1.F back to 8-byte integer blas calls [1] 59117 converting beta_3_6_7_1_1.F back to 8-byte integer blas calls [2] 59118 converting beta_3_7_5_2_1.F back to 8-byte integer blas calls [3] 59119 converting beta_3_7_4_3_2.F back to 8-byte integer blas calls [4] 59120 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_3_1_1.F back to 8-byte integer blas calls [1] 59182 converting beta_3_2_2_2.F back to 8-byte integer blas calls [2] 59183 converting beta_3_1_4_1.F back to 8-byte integer blas calls [3] 59184 converting beta_3_2_1_4.F back to 8-byte integer blas calls [4] 59185 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_5_1.F back to 8-byte integer blas calls [1] 59232 converting beta_1_4_3_2.F back to 8-byte integer blas calls [2] 59233 converting beta_3_7_3_1.F back to 8-byte integer blas calls [3] 59234 converting beta_3_6_4_2.F back to 8-byte integer blas calls [4] 59235 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1.F back to 8-byte integer blas calls [1] 59254 converting beta_3_4_12_1.F back to 8-byte integer blas calls [2] 59256 converting beta_3_2_5.F back to 8-byte integer blas calls [3] 59257 converting beta_3_4_10_5.F back to 8-byte integer blas calls [4] 59258 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_6_1_1_1.F back to 8-byte integer blas calls [1] 59303 converting beta_3_7.F back to 8-byte integer blas calls [2] 59304 converting beta_1_3_4_1_1.F back to 8-byte integer blas calls [3] 59305 converting beta_1_4_2_2_1.F back to 8-byte integer blas calls [4] 59306 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_3_2.F back to 8-byte integer blas calls [1] 59367 converting beta_3_4_4_2_1.F back to 8-byte integer blas calls [2] 59369 converting beta_3_7_6_1_1.F back to 8-byte integer blas calls [3] 59370 converting beta_3_7_4_4_1.F back to 8-byte integer blas calls [4] 59371 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_3_1.F back to 8-byte integer blas calls [1] 59421 converting beta_3_4_10_2_1.F back to 8-byte integer blas calls [2] 59422 converting beta_3_2_2_3.F back to 8-byte integer blas calls [3] 59424 converting beta_1_4_4_1.F back to 8-byte integer blas calls [4] 59425 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_3.F back to 8-byte integer blas calls [1] 59536 converting beta_3_6_5_1.F back to 8-byte integer blas calls [2] 59538 converting beta_3_4_8_1.F back to 8-byte integer blas calls [3] 59539 converting beta_4_3_1.F back to 8-byte integer blas calls [4] 59541 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_2.F back to 8-byte integer blas calls [1] 59698 converting beta_3_2_6.F back to 8-byte integer blas calls [2] 59699 converting beta_3_4_10_6.F back to 8-byte integer blas calls [3] 59700 converting beta_1_1_1_2_1.F back to 8-byte integer blas calls [4] 59701 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_1_1.F back to 8-byte integer blas calls [1] 59870 converting beta_3_2_1_3_1.F back to 8-byte integer blas calls [2] 59871 converting beta_1_4_1_4_1.F back to 8-byte integer blas calls [3] 59873 converting beta_1_3_1_6_1.F back to 8-byte integer blas calls [4] 59874 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_1_1.F back to 8-byte integer blas calls [1] 60052 converting beta_3_4_11_1_1.F back to 8-byte integer blas calls [2] 60053 converting beta_1_3_6_1.F back to 8-byte integer blas calls [3] 60054 converting beta_3_2_2_4.F back to 8-byte integer blas calls [4] 60055 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_4.F back to 8-byte integer blas calls [1] 60209 converting beta_3_7_4_1.F back to 8-byte integer blas calls [2] 60210 converting beta_4_3_2.F back to 8-byte integer blas calls [3] 60211 converting beta_3_5_1.F back to 8-byte integer blas calls [4] 60212 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_3.F back to 8-byte integer blas calls [1] 60415 converting beta_3_4_13_1.F back to 8-byte integer blas calls [2] 60416 converting beta_3_2_7.F back to 8-byte integer blas calls [3] 60417 converting beta_3_4_10_7.F back to 8-byte integer blas calls [4] 60418 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_2_1_1.F back to 8-byte integer blas calls [1] 60573 converting beta_3_7_6_2_1.F back to 8-byte integer blas calls [2] 60574 converting beta_3_7_4_5_1.F back to 8-byte integer blas calls [3] 60575 converting beta_1_1_1_2.F back to 8-byte integer blas calls [4] 60576 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1_1.F back to 8-byte integer blas calls [1] 60735 converting beta_3_2_4_1.F back to 8-byte integer blas calls [2] 60736 converting beta_1_4_5_1.F back to 8-byte integer blas calls [3] 60737 converting beta_3_4_10_3_1.F back to 8-byte integer blas calls [4] 60738 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_6_2.F back to 8-byte integer blas calls [1] 60812 converting beta_3_7_4_2.F back to 8-byte integer blas calls [2] 60813 converting beta_3_6_6_1.F back to 8-byte integer blas calls [3] 60814 converting beta_3_4_9_1.F back to 8-byte integer blas calls [4] 60815 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_4_1.F back to 8-byte integer blas calls [1] 60891 converting beta_4_3_3.F back to 8-byte integer blas calls [2] 60893 converting beta_3_4_4.F back to 8-byte integer blas calls [3] 60894 converting beta_3_4_13_2.F back to 8-byte integer blas calls [4] 60895 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_8.F back to 8-byte integer blas calls [1] 61069 converting beta_3_4_10_8.F back to 8-byte integer blas calls [2] 61070 converting beta_1_4_6_2_1_1.F back to 8-byte integer blas calls [3] 61071 converting beta_1_3_8_1_1_1.F back to 8-byte integer blas calls [4] 61072 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_1_1_1.F back to 8-byte integer blas calls [1] 61249 converting beta_1_4_3_2_1.F back to 8-byte integer blas calls [2] 61251 converting beta_1_3_5_1_1.F back to 8-byte integer blas calls [3] 61252 converting beta_3_2_1_4_1.F back to 8-byte integer blas calls [4] 61254 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_5_1.F back to 8-byte integer blas calls [1] 61455 converting beta_1_3_1_7_1.F back to 8-byte integer blas calls [2] 61456 converting beta_3_7_7_1_1.F back to 8-byte integer blas calls [3] 61457 converting beta_1_1_2_1.F back to 8-byte integer blas calls [4] 61458 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1_2.F back to 8-byte integer blas calls [1] 61721 converting beta_1_3_7_1.F back to 8-byte integer blas calls [2] 61724 converting beta_3_7_5_1.F back to 8-byte integer blas calls [3] 61725 converting beta_3_7_4_3.F back to 8-byte integer blas calls [4] 61726 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_1.F back to 8-byte integer blas calls [1] 61887 converting beta_3_6_1.F back to 8-byte integer blas calls [2] 61888 converting beta_4_3_4.F back to 8-byte integer blas calls [3] 61889 converting beta_3_4_14_1.F back to 8-byte integer blas calls [4] 61890 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_5.F back to 8-byte integer blas calls [1] 62050 converting beta_3_2_9.F back to 8-byte integer blas calls [2] 62051 converting beta_1_4_1_3_2_1.F back to 8-byte integer blas calls [3] 62053 converting beta_1_1_2_2_1.F back to 8-byte integer blas calls [4] 62055 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_4_1_1.F back to 8-byte integer blas calls [1] 62295 converting beta_3_2_2_3_1.F back to 8-byte integer blas calls [2] 62296 converting beta_3_7_6_3_1.F back to 8-byte integer blas calls [3] 62297 converting beta_1_2_1_1.F back to 8-byte integer blas calls [4] 62298 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_2_2.F back to 8-byte integer blas calls [1] 62566 converting beta_3_4_2_1.F back to 8-byte integer blas calls [2] 62567 converting beta_3_2_5_1.F back to 8-byte integer blas calls [3] 62569 converting beta_3_4_12_1_1.F back to 8-byte integer blas calls [4] 62571 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_1_3.F back to 8-byte integer blas calls [1] 62798 converting beta_1_4_6_1.F back to 8-byte integer blas calls [2] 62799 converting beta_3_4_10_4_1.F back to 8-byte integer blas calls [3] 62801 converting beta_1_3_7_2.F back to 8-byte integer blas calls [4] 62802 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_5_2.F back to 8-byte integer blas calls [1] 62982 converting beta_3_6_7_1.F back to 8-byte integer blas calls [2] 62983 converting beta_3_7_4_4.F back to 8-byte integer blas calls [3] 62984 converting beta_1_1_2.F back to 8-byte integer blas calls [4] 62985 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_2.F back to 8-byte integer blas calls [1] 63033 converting beta_4_3_5.F back to 8-byte integer blas calls [2] 63035 converting beta_3_4_14_2.F back to 8-byte integer blas calls [3] 63038 converting beta_3_4_6.F back to 8-byte integer blas calls [4] 63039 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_1_2_1.F back to 8-byte integer blas calls [1] 63125 converting beta_1_1_3_1_1.F back to 8-byte integer blas calls [2] 63126 converting beta_1_4_3_3_1.F back to 8-byte integer blas calls [3] 63128 converting beta_1_3_1_8_1.F back to 8-byte integer blas calls [4] 63130 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_9_1_1.F back to 8-byte integer blas calls [1] 63282 converting beta_2_1_1_1.F back to 8-byte integer blas calls [2] 63284 converting beta_1_1_3_1.F back to 8-byte integer blas calls [3] 63285 converting beta_4_3_2_1.F back to 8-byte integer blas calls [4] 63287 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_5_1_1.F back to 8-byte integer blas calls [1] 63435 converting beta_1_4_6_2.F back to 8-byte integer blas calls [2] 63436 converting beta_1_3_8_1.F back to 8-byte integer blas calls [3] 63438 converting beta_3_7_6_1.F back to 8-byte integer blas calls [4] 63439 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_4_5.F back to 8-byte integer blas calls [1] 63548 converting beta_1_2_1.F back to 8-byte integer blas calls [2] 63550 converting beta_1_1_3.F back to 8-byte integer blas calls [3] 63551 converting beta_3_7_1.F back to 8-byte integer blas calls [4] 63552 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_3.F back to 8-byte integer blas calls [1] 63777 converting beta_3_4_7.F back to 8-byte integer blas calls [2] 63779 converting beta_1_1.F back to 8-byte integer blas calls [3] 63780 converting beta_1_4_6_3_1_1.F back to 8-byte integer blas calls [4] 63781 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_2_1_1.F back to 8-byte integer blas calls [1] 63926 converting beta_1_3_6_1_1.F back to 8-byte integer blas calls [2] 63929 converting beta_3_2_2_4_1.F back to 8-byte integer blas calls [3] 63930 converting beta_3_4_10_8_1_1.F back to 8-byte integer blas calls [4] 63931 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_8_1_1.F back to 8-byte integer blas calls [1] 64075 converting beta_3_7_6_4_1.F back to 8-byte integer blas calls [2] 64077 converting beta_2_1_1_2.F back to 8-byte integer blas calls [3] 64078 converting beta_1_2_2_1.F back to 8-byte integer blas calls [4] 64079 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_1_3_2.F back to 8-byte integer blas calls [1] 64161 converting beta_4_3_2_2.F back to 8-byte integer blas calls [2] 64162 converting beta_3_4_3_1.F back to 8-byte integer blas calls [3] 64165 converting beta_3_2_6_1.F back to 8-byte integer blas calls [4] 64166 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_10_5_1.F back to 8-byte integer blas calls [1] 64249 converting beta_1_4_6_3.F back to 8-byte integer blas calls [2] 64251 converting beta_3_7_6_2.F back to 8-byte integer blas calls [3] 64252 converting beta_2_1_1.F back to 8-byte integer blas calls [4] 64254 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_2.F back to 8-byte integer blas calls [1] 64362 converting beta_3_7_2.F back to 8-byte integer blas calls [2] 64363 converting beta_3_6_4.F back to 8-byte integer blas calls [3] 64364 converting beta_3_4_8.F back to 8-byte integer blas calls [4] 64365 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2.F back to 8-byte integer blas calls [1] 64427 converting beta_1_3_1_1_1.F back to 8-byte integer blas calls [2] 64429 converting beta_1_1_3_2_1.F back to 8-byte integer blas calls [3] 64430 converting beta_1_4_5_1_1.F back to 8-byte integer blas calls [4] 64431 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3_4_1.F back to 8-byte integer blas calls [1] 64542 converting beta_3_2_9_2_1.F back to 8-byte integer blas calls [2] 64543 converting beta_2_1_2_1.F back to 8-byte integer blas calls [3] 64544 converting beta_1_3_1_1.F back to 8-byte integer blas calls [4] 64545 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_3_3_1.F back to 8-byte integer blas calls [1] 64625 converting beta_3_4_3_2.F back to 8-byte integer blas calls [2] 64626 converting beta_3_4_13_1_1.F back to 8-byte integer blas calls [3] 64627 converting beta_3_7_7_1.F back to 8-byte integer blas calls [4] 64628 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_6_3.F back to 8-byte integer blas calls [1] 64731 converting beta_1_3_1.F back to 8-byte integer blas calls [2] 64732 converting beta_2_1_2.F back to 8-byte integer blas calls [3] 64733 converting beta_1_2_3.F back to 8-byte integer blas calls [4] 64735 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_3.F back to 8-byte integer blas calls [1] 64816 converting beta_3_6_5.F back to 8-byte integer blas calls [2] 64817 converting beta_3_4_9.F back to 8-byte integer blas calls [3] 64818 converting beta_2_1.F back to 8-byte integer blas calls [4] 64819 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3.F back to 8-byte integer blas calls [1] 64910 converting beta_1_4_1_5_1_1.F back to 8-byte integer blas calls [2] 64911 converting beta_1_3_6_2_1.F back to 8-byte integer blas calls [3] 64913 converting beta_3_6_4_2_1.F back to 8-byte integer blas calls [4] 64914 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_2_1_2_2.F back to 8-byte integer blas calls [1] 64993 converting beta_1_3_1_2.F back to 8-byte integer blas calls [2] 64994 converting beta_1_2_3_1.F back to 8-byte integer blas calls [3] 64996 converting beta_3_6_1_1.F back to 8-byte integer blas calls [4] 64997 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_4_1.F back to 8-byte integer blas calls [1] 65068 converting beta_4_3_3_2.F back to 8-byte integer blas calls [2] 65069 converting beta_3_2_7_1.F back to 8-byte integer blas calls [3] 65070 converting beta_3_4_10_6_1.F back to 8-byte integer blas calls [4] 65071 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_6_4.F back to 8-byte integer blas calls [1] 65125 converting beta_2_1_3.F back to 8-byte integer blas calls [2] 65127 converting beta_1_3_2.F back to 8-byte integer blas calls [3] 65128 converting beta_3_7_4.F back to 8-byte integer blas calls [4] 65129 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_6.F back to 8-byte integer blas calls [1] 65222 converting beta_1_4.F back to 8-byte integer blas calls [2] 65223 converting beta_3_4_10.F back to 8-byte integer blas calls [3] 65224 converting beta_1_3_1_2_1.F back to 8-byte integer blas calls [4] 65225 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_2_3_1_1.F back to 8-byte integer blas calls [1] 65289 converting beta_3_4_1_3_1.F back to 8-byte integer blas calls [2] 65290 converting beta_1_3_7_1_1.F back to 8-byte integer blas calls [3] 65291 converting beta_3_1_1_1.F back to 8-byte integer blas calls [4] 65293 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_2_1.F back to 8-byte integer blas calls [1] 65360 converting beta_2_1_3_1.F back to 8-byte integer blas calls [2] 65361 converting beta_1_3_1_3.F back to 8-byte integer blas calls [3] 65362 converting beta_4_3_4_1.F back to 8-byte integer blas calls [4] 65364 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_6_1_2.F back to 8-byte integer blas calls [1] 65422 converting beta_3_4_13_2_1.F back to 8-byte integer blas calls [2] 65424 converting beta_3_4_4_2.F back to 8-byte integer blas calls [3] 65425 converting beta_3_7_8_1.F back to 8-byte integer blas calls [4] 65426 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_1.F back to 8-byte integer blas calls [1] 65502 converting beta_1_4_1.F back to 8-byte integer blas calls [2] 65503 converting beta_1_3_3.F back to 8-byte integer blas calls [3] 65504 converting beta_2_1_4.F back to 8-byte integer blas calls [4] 65505 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_5.F back to 8-byte integer blas calls [1] 370 converting beta_3_6_7.F back to 8-byte integer blas calls [2] 371 converting beta_3_1.F back to 8-byte integer blas calls [3] 372 converting beta_3_4_11.F back to 8-byte integer blas calls [4] 373 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_2_1_1.F back to 8-byte integer blas calls [1] 461 converting beta_1_4_6_1_1.F back to 8-byte integer blas calls [2] 462 converting beta_3_7_4_1_1.F back to 8-byte integer blas calls [3] 464 converting beta_1_4_1_1.F back to 8-byte integer blas calls [4] 466 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_1_2.F back to 8-byte integer blas calls [1] 544 converting beta_1_3_1_4.F back to 8-byte integer blas calls [2] 546 converting beta_3_6_2_1.F back to 8-byte integer blas calls [3] 547 converting beta_3_4_14_1_1.F back to 8-byte integer blas calls [4] 549 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_5_1.F back to 8-byte integer blas calls [1] 710 converting beta_3_2_8_1.F back to 8-byte integer blas calls [2] 711 converting beta_3_4_10_7_1.F back to 8-byte integer blas calls [3] 712 converting beta_3_1_2.F back to 8-byte integer blas calls [4] 713 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_2.F back to 8-byte integer blas calls [1] 816 converting beta_1_3_4.F back to 8-byte integer blas calls [2] 818 converting beta_3_7_6.F back to 8-byte integer blas calls [3] 819 converting beta_3_2.F back to 8-byte integer blas calls [4] 820 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_4_12.F back to 8-byte integer blas calls [1] 871 converting beta_3_7_4_3_2_1.F back to 8-byte integer blas calls [2] 872 converting beta_1_4_1_1_1.F back to 8-byte integer blas calls [3] 873 converting beta_1_3_1_3_1.F back to 8-byte integer blas calls [4] 874 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_7_2_1.F back to 8-byte integer blas calls [1] 951 converting beta_3_7_4_1_2.F back to 8-byte integer blas calls [2] 952 converting beta_3_1_2_1.F back to 8-byte integer blas calls [3] 953 converting beta_1_4_1_2.F back to 8-byte integer blas calls [4] 954 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_3_1.F back to 8-byte integer blas calls [1] 1043 converting beta_2_1_4_1.F back to 8-byte integer blas calls [2] 1044 converting beta_1_3_1_5.F back to 8-byte integer blas calls [3] 1045 converting beta_3_7_1_1.F back to 8-byte integer blas calls [4] 1046 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_3_5_1.F back to 8-byte integer blas calls [1] 1105 converting beta_3_4_5_2.F back to 8-byte integer blas calls [2] 1107 converting beta_3_2_1.F back to 8-byte integer blas calls [3] 1109 converting beta_3_1_3.F back to 8-byte integer blas calls [4] 1110 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_3.F back to 8-byte integer blas calls [1] 1219 converting beta_3_4_10_1.F back to 8-byte integer blas calls [2] 1220 converting beta_1_3_5.F back to 8-byte integer blas calls [3] 1221 converting beta_3_7_7.F back to 8-byte integer blas calls [4] 1222 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_4_1.F back to 8-byte integer blas calls [1] 1284 converting beta_3_3.F back to 8-byte integer blas calls [2] 1286 converting beta_3_4_13.F back to 8-byte integer blas calls [3] 1287 converting beta_1_3_1_8_1_1.F back to 8-byte integer blas calls [4] 1288 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_4_1_1_2.F back to 8-byte integer blas calls [1] 1359 converting beta_1_4_6_2_1.F back to 8-byte integer blas calls [2] 1360 converting beta_1_3_8_1_1.F back to 8-byte integer blas calls [3] 1361 converting beta_3_7_4_2_1.F back to 8-byte integer blas calls [4] 1363 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_1_1.F back to 8-byte integer blas calls [1] 1443 converting beta_1_4_2_1.F back to 8-byte integer blas calls [2] 1444 converting beta_3_1_2_2.F back to 8-byte integer blas calls [3] 1445 converting beta_1_4_1_3.F back to 8-byte integer blas calls [4] 1446 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_1_3_1_6.F back to 8-byte integer blas calls [1] 1505 converting beta_3_6_3_1.F back to 8-byte integer blas calls [2] 1507 converting beta_3_4_14_2_1.F back to 8-byte integer blas calls [3] 1508 converting beta_3_4_6_1.F back to 8-byte integer blas calls [4] 1510 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_2_9_1.F back to 8-byte integer blas calls [1] 1586 converting beta_3_4_10_8_1.F back to 8-byte integer blas calls [2] 1587 converting beta_4_1_1.F back to 8-byte integer blas calls [3] 1588 converting beta_3_2_2.F back to 8-byte integer blas calls [4] 1589 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_1_4.F back to 8-byte integer blas calls [1] 1627 converting beta_1_4_4.F back to 8-byte integer blas calls [2] 1628 converting beta_3_4_10_2.F back to 8-byte integer blas calls [3] 1629 converting beta_1_3_6.F back to 8-byte integer blas calls [4] 1630 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting beta_3_7_8.F back to 8-byte integer blas calls [1] 1682 converting beta_4_2.F back to 8-byte integer blas calls [2] 1683 converting beta_3_4.F back to 8-byte integer blas calls [3] 1684 converting beta_3_4_14.F back to 8-byte integer blas calls [4] 1685 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsd_yr /build/nwchem-6.8.1/src/config/32_to_64 ccsd_y_o1.F ccsd_y_o2.F ccsd_yr1.F ccsd_yr2.F ccsd_y_tr1.F ccsd_y_tr2.F alpha_2_yr.F ccsd_lr_d1_hh.F ccsd_lr_d1_ph.F ccsd_lr_d1_hp.F ccsd_lr_d1_pp.F converting ccsd_y_o1.F back to 8-byte integer blas calls [1] 2505 converting ccsd_y_o2.F back to 8-byte integer blas calls [2] 2506 converting ccsd_yr1.F back to 8-byte integer blas calls [3] 2507 converting ccsd_yr2.F back to 8-byte integer blas calls [4] 2508 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_y_tr1.F back to 8-byte integer blas calls [1] 4727 converting ccsd_y_tr2.F back to 8-byte integer blas calls [2] 4728 converting alpha_2_yr.F back to 8-byte integer blas calls [3] 4729 converting ccsd_lr_d1_hh.F back to 8-byte integer blas calls [4] 4730 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_lr_d1_ph.F back to 8-byte integer blas calls [1] 8774 converting ccsd_lr_d1_hp.F back to 8-byte integer blas calls [2] 8775 converting ccsd_lr_d1_pp.F back to 8-byte integer blas calls [3] 8776 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in response /build/nwchem-6.8.1/src/config/32_to_64 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F back to 8-byte integer blas calls [1] 10094 converting ccsd_o2.F back to 8-byte integer blas calls [2] 10095 converting eomccsd_o1.F back to 8-byte integer blas calls [3] 10096 converting eomccsd_o2.F back to 8-byte integer blas calls [4] 10097 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdt_o1.F back to 8-byte integer blas calls [1] 10630 converting ccsdt_o2.F back to 8-byte integer blas calls [2] 10631 converting ccsdt_o3.F back to 8-byte integer blas calls [3] 10632 converting ccsdtq_o1.F back to 8-byte integer blas calls [4] 10633 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsdtq_o2.F back to 8-byte integer blas calls [1] 10979 converting ccsdtq_o3.F back to 8-byte integer blas calls [2] 10980 converting ccsdtq_o4.F back to 8-byte integer blas calls [3] 10981 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in mrcc Making 32_to_64 in include 32_to_64 : no conversion necessary Making 32_to_64 in ccsd /build/nwchem-6.8.1/src/config/32_to_64 mr_ccsd_e.F mr_ccsd_t1.F mr_ccsd_t2.F mr_ccsd_dcl.F T2_C2_1.F T2_C2.F T2_pg_C2_1.F T2_pg_C2.F converting mr_ccsd_e.F back to 8-byte integer blas calls [1] 14623 converting mr_ccsd_t1.F back to 8-byte integer blas calls [2] 14624 converting mr_ccsd_t2.F back to 8-byte integer blas calls [3] 14626 converting mr_ccsd_dcl.F back to 8-byte integer blas calls [4] 14627 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting T2_C2_1.F back to 8-byte integer blas calls [1] 15542 converting T2_C2.F back to 8-byte integer blas calls [2] 15543 converting T2_pg_C2_1.F back to 8-byte integer blas calls [3] 15544 converting T2_pg_C2.F back to 8-byte integer blas calls [4] 15545 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsd_sub /build/nwchem-6.8.1/src/config/32_to_64 ccsd_st1.F ccsd_st2.F ccsd_se.F ccsd_dcl_sub.F converting ccsd_st1.F back to 8-byte integer blas calls [1] 16465 converting ccsd_st2.F back to 8-byte integer blas calls [2] 16466 converting ccsd_se.F back to 8-byte integer blas calls [3] 16468 converting ccsd_dcl_sub.F back to 8-byte integer blas calls [4] 16469 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in ccsd_t /build/nwchem-6.8.1/src/config/32_to_64 tce_mrcc_q3vnt1.F tce_mrcc_q3vnt2.F tce_mrcc_q3fnt2.F tce_mrcc_ccsdpt.F tce_mrcc_ccsdpt_subg.F tce_mrcc_q3vnt1_subg.F tce_mrcc_q3fnt2_subg.F converting tce_mrcc_q3vnt1.F back to 8-byte integer blas calls [1] 19135 converting tce_mrcc_q3vnt2.F back to 8-byte integer blas calls [2] 19138 converting tce_mrcc_q3fnt2.F back to 8-byte integer blas calls [3] 19139 converting tce_mrcc_ccsdpt.F back to 8-byte integer blas calls [4] 19140 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_ccsdpt_subg.F back to 8-byte integer blas calls [1] 19337 converting tce_mrcc_q3vnt1_subg.F back to 8-byte integer blas calls [2] 19338 converting tce_mrcc_q3fnt2_subg.F back to 8-byte integer blas calls [3] 19339 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) Making 32_to_64 in uss /build/nwchem-6.8.1/src/config/32_to_64 tce_uss_offdiagonal_1.F tce_uss_offdiagonal_2.F tce_uss_offdiagonal_3.F tce_uss_offdiagonal_4.F ccsd_r3.F ccsd_r4.F tce_uss_aux.F tce_uss_T1_R1.F tce_uss_T2_R2.F converting tce_uss_offdiagonal_1.F back to 8-byte integer blas calls [1] 21077 converting tce_uss_offdiagonal_2.F back to 8-byte integer blas calls [2] 21078 converting tce_uss_offdiagonal_3.F back to 8-byte integer blas calls [3] 21079 converting tce_uss_offdiagonal_4.F back to 8-byte integer blas calls [4] 21080 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_r3.F back to 8-byte integer blas calls [1] 21558 converting ccsd_r4.F back to 8-byte integer blas calls [2] 21559 converting tce_uss_aux.F back to 8-byte integer blas calls [3] 21560 converting tce_uss_T1_R1.F back to 8-byte integer blas calls [4] 21561 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_uss_T2_R2.F back to 8-byte integer blas calls [1] 21729 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 tce_mrcc_energy.F tce_mrcc_readref.F tce_mrcc_calcexcit.F tce_mrcc_sortint.F tce_mrcc_tile.F tce_mrcc_macpy.F tce_mrcc_fillindexarray.F tce_mrcc_uhf.F create_mr_evl_sorted.F pgcreatefile.F tce_mrcc_mo2e.F tce_mrcc_ao2e.F tce_subnxtask.F tce_mrcc_sublock.F eaf_mrcc.F tce_t3ac_offset.F tce_t4ac_offset.F tce_mrcc_refs_sym.F tce_mrcc_force_orben.F tce_mrcc_diis_init.F tce_mrcc_heff.F tce_mrcc_diis.F tce_mrcc_jacobi_t1.F tce_mrcc_jacobi_t2.F tce_mrcc_gacp.F tce_mrcc_daxfile.F tce_mrcc_diis_tidy.F tce_jacobi_sub_t1.F tce_jacobi_sub_t2.F tce_mrcc_c1.F tce_mrcc_c1_offset.F tce_mrcc_c2.F tce_mrcc_c2_offset.F tce_mrcc_mul_1.F tce_mrcc_mul_2.F tce_mrcc_diis_save.F tce_mrcc_diis_new.F tce_mrcc_create_cas1.F new_ga4ind_N5uhf_mrcc_lm2.F converting tce_mrcc_energy.F back to 8-byte integer blas calls [1] 21766 converting tce_mrcc_readref.F back to 8-byte integer blas calls [2] 21767 converting tce_mrcc_calcexcit.F back to 8-byte integer blas calls [3] 21768 converting tce_mrcc_sortint.F back to 8-byte integer blas calls [4] 21769 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_tile.F back to 8-byte integer blas calls [1] 21900 converting tce_mrcc_macpy.F back to 8-byte integer blas calls [2] 21901 converting tce_mrcc_fillindexarray.F back to 8-byte integer blas calls [3] 21902 converting tce_mrcc_uhf.F back to 8-byte integer blas calls [4] 21903 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting create_mr_evl_sorted.F back to 8-byte integer blas calls [1] 21949 converting pgcreatefile.F back to 8-byte integer blas calls [2] 21950 converting tce_mrcc_mo2e.F back to 8-byte integer blas calls [3] 21951 converting tce_mrcc_ao2e.F back to 8-byte integer blas calls [4] 21952 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_subnxtask.F back to 8-byte integer blas calls [1] 21996 converting tce_mrcc_sublock.F back to 8-byte integer blas calls [2] 21997 converting eaf_mrcc.F back to 8-byte integer blas calls [3] 21998 converting tce_t3ac_offset.F back to 8-byte integer blas calls [4] 21999 Could not open file: tce_mrcc_sublock.F.21997 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Exit 2 ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_t4ac_offset.F back to 8-byte integer blas calls [1] 22010 converting tce_mrcc_refs_sym.F back to 8-byte integer blas calls [2] 22011 converting tce_mrcc_force_orben.F back to 8-byte integer blas calls [3] 22012 converting tce_mrcc_diis_init.F back to 8-byte integer blas calls [4] 22013 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_heff.F back to 8-byte integer blas calls [1] 22036 converting tce_mrcc_diis.F back to 8-byte integer blas calls [2] 22037 converting tce_mrcc_jacobi_t1.F back to 8-byte integer blas calls [3] 22038 converting tce_mrcc_jacobi_t2.F back to 8-byte integer blas calls [4] 22039 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_gacp.F back to 8-byte integer blas calls [1] 22129 converting tce_mrcc_daxfile.F back to 8-byte integer blas calls [2] 22130 converting tce_mrcc_diis_tidy.F back to 8-byte integer blas calls [3] 22131 converting tce_jacobi_sub_t1.F back to 8-byte integer blas calls [4] 22132 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_jacobi_sub_t2.F back to 8-byte integer blas calls [1] 22155 converting tce_mrcc_c1.F back to 8-byte integer blas calls [2] 22156 converting tce_mrcc_c1_offset.F back to 8-byte integer blas calls [3] 22157 converting tce_mrcc_c2.F back to 8-byte integer blas calls [4] 22158 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_c2_offset.F back to 8-byte integer blas calls [1] 22182 converting tce_mrcc_mul_1.F back to 8-byte integer blas calls [2] 22183 converting tce_mrcc_mul_2.F back to 8-byte integer blas calls [3] 22184 converting tce_mrcc_diis_save.F back to 8-byte integer blas calls [4] 22185 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mrcc_diis_new.F back to 8-byte integer blas calls [1] 22230 converting tce_mrcc_create_cas1.F back to 8-byte integer blas calls [2] 22231 converting new_ga4ind_N5uhf_mrcc_lm2.F back to 8-byte integer blas calls [3] 22232 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 tce_mbpt2.F tce_residual_t1.F tce_residual_t2.F tce_residual_t3.F tce_residual_t4.F tce_residual_t3a.F tce_ao2e.F tce_mo2e.F tce_guess_t1.F tce_mod1.F tce_moq1.F tce_eom_xdiagon.F dscalfile.F tce_eom_ydiagon.F tce_ao1e.F tce_aod1.F tce_aoq1.F tce_mo1e.F tce_ao_mp1.F tce_mo_mp1.F tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_2emet3.F tce_mo2e_2emet3_n5.F tce_mo2e_2emet4.F tce_mo2e_2emet4_n5.F tce_mo2e_disk_2eorb.F tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F tce_diagnose_t1.F ddotfile.F tce_ao2e_cholesky.F tce_energy.F ccsd_lr_alpha.F tensor_read_write.F tce_diis_act.F tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F ccsd_qr_beta.F daxpyfile.F tce_ao2e_cholesky_orb.F tce_ao2e_disk.F tce_ao2e_new.F tce_dgeev.F tce_mo2e_disk.F tce_mo2e_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mod1_new.F new_ga4ind_N5.F new4ind_N5_osu.F converting tce_mbpt2.F back to 8-byte integer blas calls [1] 22349 converting tce_residual_t1.F back to 8-byte integer blas calls [2] 22350 converting tce_residual_t2.F back to 8-byte integer blas calls [3] 22351 converting tce_residual_t3.F back to 8-byte integer blas calls [4] 22352 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_residual_t4.F back to 8-byte integer blas calls [1] 22379 converting tce_residual_t3a.F back to 8-byte integer blas calls [2] 22380 converting tce_ao2e.F back to 8-byte integer blas calls [3] 22381 converting tce_mo2e.F back to 8-byte integer blas calls [4] 22382 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_guess_t1.F back to 8-byte integer blas calls [1] 22401 converting tce_mod1.F back to 8-byte integer blas calls [2] 22402 converting tce_moq1.F back to 8-byte integer blas calls [3] 22403 converting tce_eom_xdiagon.F back to 8-byte integer blas calls [4] 22404 Could not open file: tce_moq1.F.22403 [4] Done ( $perlexe $perlscript $file ) [3] + Exit 2 ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dscalfile.F back to 8-byte integer blas calls [1] 22467 converting tce_eom_ydiagon.F back to 8-byte integer blas calls [2] 22468 converting tce_ao1e.F back to 8-byte integer blas calls [3] 22469 converting tce_aod1.F back to 8-byte integer blas calls [4] 22470 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_aoq1.F back to 8-byte integer blas calls [1] 22479 converting tce_mo1e.F back to 8-byte integer blas calls [2] 22480 converting tce_ao_mp1.F back to 8-byte integer blas calls [3] 22481 converting tce_mo_mp1.F back to 8-byte integer blas calls [4] 22482 Could not open file: tce_aoq1.F.22479 Could not open file: tce_ao_mp1.F.22481 Could not open file: tce_mo_mp1.F.22482 [4] - Exit 2 ( $perlexe $perlscript $file ) [3] + Exit 2 ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Exit 2 ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_ga.F back to 8-byte integer blas calls [1] 22490 converting tce_mo2e_zones_4a_disk_ga_chop.F back to 8-byte integer blas calls [2] 22491 converting tce_mo2e_zones_4a_disk_4s_new_patch.F back to 8-byte integer blas calls [3] 22492 converting tce_mo2e_zones_4a_disk_2s_new.F back to 8-byte integer blas calls [4] 22493 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_4s_new_patch_m2.F back to 8-byte integer blas calls [1] 22524 converting tce_mo2e_2emet3.F back to 8-byte integer blas calls [2] 22525 converting tce_mo2e_2emet3_n5.F back to 8-byte integer blas calls [3] 22526 converting tce_mo2e_2emet4.F back to 8-byte integer blas calls [4] 22527 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_2emet4_n5.F back to 8-byte integer blas calls [1] 22571 converting tce_mo2e_disk_2eorb.F back to 8-byte integer blas calls [2] 22572 converting tce_mo2e_incore_2eorb.F back to 8-byte integer blas calls [3] 22573 converting tce_mo2e_incore_2eorb_split.F back to 8-byte integer blas calls [4] 22574 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_hybrid_2eorb_split.F back to 8-byte integer blas calls [1] 22627 converting tce_diagnose_t1.F back to 8-byte integer blas calls [2] 22628 converting ddotfile.F back to 8-byte integer blas calls [3] 22629 converting tce_ao2e_cholesky.F back to 8-byte integer blas calls [4] 22630 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_energy.F back to 8-byte integer blas calls [1] 22675 converting ccsd_lr_alpha.F back to 8-byte integer blas calls [2] 22676 converting tensor_read_write.F back to 8-byte integer blas calls [3] 22677 converting tce_diis_act.F back to 8-byte integer blas calls [4] 22678 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_ga_act.F back to 8-byte integer blas calls [1] 22921 converting tce_mo2e_zones_4a_disk_ga_chop_act.F back to 8-byte integer blas calls [2] 22922 converting ccsd_qr_beta.F back to 8-byte integer blas calls [3] 22923 converting daxpyfile.F back to 8-byte integer blas calls [4] 22924 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_ao2e_cholesky_orb.F back to 8-byte integer blas calls [1] 23013 converting tce_ao2e_disk.F back to 8-byte integer blas calls [2] 23015 converting tce_ao2e_new.F back to 8-byte integer blas calls [3] 23016 converting tce_dgeev.F back to 8-byte integer blas calls [4] 23017 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_disk.F back to 8-byte integer blas calls [1] 23110 converting tce_mo2e_new.F back to 8-byte integer blas calls [2] 23111 converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F back to 8-byte integer blas calls [3] 23112 converting tce_mo2e_zones_4a_disk_ga_N5.F back to 8-byte integer blas calls [4] 23113 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tce_mo2e_zones_4a_disk_ga_chop_N5.F back to 8-byte integer blas calls [1] 23230 converting tce_mod1_new.F back to 8-byte integer blas calls [2] 23231 converting new_ga4ind_N5.F back to 8-byte integer blas calls [3] 23232 converting new4ind_N5_osu.F back to 8-byte integer blas calls [4] 23233 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /build/nwchem-6.8.1/src/config/32_to_64 bq_input.F converting bq_input.F back to 8-byte integer blas calls [1] 24185 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/src/config/32_to_64 mm_input.F converting mm_input.F back to 8-byte integer blas calls [1] 24670 [1] Done ( $perlexe $perlscript $file ) /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 32_to_64 : no conversion necessary /build/nwchem-6.8.1/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 gibbs.F converting gibbs.F back to 8-byte integer blas calls [1] 27065 [1] Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary 32_to_64 : no conversion necessary /build/nwchem-6.8.1/src/config/32_to_64 qmr_real.F dimqm_main.F converting qmr_real.F back to 8-byte integer blas calls [1] 28578 converting dimqm_main.F back to 8-byte integer blas calls [2] 28579 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) 32_to_64 : no conversion necessary touch 32_to_64 make[2]: Leaving directory '/build/nwchem-6.8.1/src' make[1]: Leaving directory '/build/nwchem-6.8.1' dh_auto_build -O--parallel -Nnwchem dh_auto_build: Compatibility levels before 9 are deprecated (level 7 in use) debian/rules override_dh_auto_test make[1]: Entering directory '/build/nwchem-6.8.1' dh_testdir (cd /build/nwchem-6.8.1/QA && if [ "" = "yes" ]; then \ ../debian/testsuite all; else ../debian/testsuite; fi) Running tests/auh2o/auh2o cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 3.0u 0.2s 0:04.30 76.2% (0t+0ds+0avg+71544max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/autosym/autosym cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 2.1u 0.6s 0:03.78 71.9% (0t+0ds+0avg+65084max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/dft_he2+/dft_he2+ cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 3.4u 0.5s 0:05.08 80.1% (0t+0ds+0avg+63558max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/h2mp2/h2mp2 cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying output ... OK Running tests/h2o/h2o cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying output ... OK Running tests/hess_h2o/hess_h2o cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying output ... OK Running tests/prop_h2o/prop_h2o cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying output ... OK Running tests/geom_zmatrix/geom_zmatrix cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 4.3u 0.2s 0:05.20 88.0% (0t+0ds+0avg+76054max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/rimp2_ne/rimp2_ne cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 2.4u 0.3s 0:03.37 81.6% (0t+0ds+0avg+63886max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/small_intchk/small_intchk cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 12.5u 0.2s 0:13.36 95.2% (0t+0ds+0avg+79816max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/tagcheck/tagcheck cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 1.5u 0.1s 0:02.36 73.7% (0t+0ds+0avg+53542max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/testtab/testtab cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying output ... OK Running tests/h2o_dk/h2o_dk cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 3.1u 0.2s 0:04.01 85.0% (0t+0ds+0avg+59586max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/cosmo_h2o/cosmo_h2o cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying output ... OK Running tests/ch5n_nbo/ch5n_nbo cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying output ... OK Running tests/h2s_finite/h2s_finite cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 4.6u 0.2s 0:05.50 88.9% (0t+0ds+0avg+60576max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/pyqa/pyqa cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying output ... OK Running tests/startag/startag cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying output ... OK Running tests/esp/esp cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 3.3u 0.2s 0:04.14 85.0% (0t+0ds+0avg+70410max)k 0i+0o 2pf 0swaps verifying output ... ESP charges match Running tests/esp_uhf/esp_uhf cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 3.5u 0.2s 0:04.34 85.9% (0t+0ds+0avg+67878max)k 0i+0o 2pf 0swaps verifying output ... ESP charges match Running tests/dft_bsse/dft_bsse cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 6.2u 0.2s 0:07.08 91.6% (0t+0ds+0avg+88952max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/dplot_dft/dplot_dft cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying output ... OK Running tests/dft_meta/dft_meta cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 101.4u 1.1s 1:43.28 99.3% (0t+0ds+0avg+95964max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/dft_mpwb1khf/dft_mpwb1khf cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 2.3u 0.3s 0:03.33 82.2% (0t+0ds+0avg+70036max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/prop_uhf_h2o/prop_uhf_h2o cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 9.6u 0.3s 0:10.59 94.2% (0t+0ds+0avg+71614max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/et_zn_dimer/et_zn_dimer cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 16.1u 0.6s 0:17.37 96.4% (0t+0ds+0avg+59860max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/vectors_rotate/vectors_rotate cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 1.3u 0.2s 0:02.37 66.6% (0t+0ds+0avg+65368max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/sad_ch3hf/sad_ch3hf cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 2.8u 0.3s 0:03.89 82.7% (0t+0ds+0avg+61520max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/band/band cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 18.0u 0.2s 0:18.90 96.3% (0t+0ds+0avg+42922max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/pspw/pspw cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 42.7u 0.4s 0:43.88 98.5% (0t+0ds+0avg+70490max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/pspw_md/pspw_md cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 41.4u 0.2s 0:42.30 98.5% (0t+0ds+0avg+46728max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/pspw_stress/pspw_stress cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 31.2u 0.4s 0:32.21 98.1% (0t+0ds+0avg+42250max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/mcscf_ch2/mcscf_ch2 cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 4.3u 0.4s 0:05.36 88.9% (0t+0ds+0avg+61786max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/dft_li2freq/dft_li2freq cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 112.7u 0.6s 1:56.07 97.7% (0t+0ds+0avg+103618max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/n2_ccsd/n2_ccsd cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 43.6u 2.2s 0:47.78 96.0% (0t+0ds+0avg+64034max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/tce_ccsd_t_h2o/tce_ccsd_t_h2o cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 2.7u 0.7s 0:04.14 85.0% (0t+0ds+0avg+66786max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/tddft_h2o/tddft_h2o cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 57.4u 0.3s 0:58.69 98.4% (0t+0ds+0avg+76712max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/rt_tddft_dimer_charge/rt_tddft_dimer_charge cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 218.4u 0.9s 4:07.87 88.5% (0t+0ds+0avg+68738max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/tce_eaccsd_ozone/tce_eaccsd_ozone cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 36.3u 0.5s 0:47.02 78.4% (0t+0ds+0avg+98964max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/tce_ipccsd_f2/tce_ipccsd_f2 cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 6.2u 0.2s 0:10.59 61.5% (0t+0ds+0avg+69682max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/tce_hyperpolar_ccsd_small/tce_hyperpolar_ccsd_small cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 136.4u 12.9s 2:38.25 94.4% (0t+0ds+0avg+121446max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/mp2_scs_n2/mp2_scs_n2 cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 36.2u 0.5s 0:38.21 96.2% (0t+0ds+0avg+118484max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/tddftgrad_n2_uks/tddftgrad_n2_uks cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 75.1u 0.3s 1:16.50 98.7% (0t+0ds+0avg+75830max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/tddftgrad_ch2o/tddftgrad_ch2o cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors 23.0u 0.3s 0:24.06 97.1% (0t+0ds+0avg+74080max)k 0i+0o 2pf 0swaps verifying output ... OK Running tests/water/water_md cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed Running tests/water/water_pme cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX64/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed OK make[1]: Leaving directory '/build/nwchem-6.8.1' fakeroot debian/rules binary dh binary --with autotools_dev,python2 --parallel dh: Compatibility levels before 9 are deprecated (level 7 in use) dh: The autotools-dev sequence is deprecated and replaced by dh in debhelper (>= 9.20160115) dh: This feature will be removed in compat 12. dh_testroot -O--parallel dh_prep -O--parallel dh_installdirs -O--parallel dh_installdirs: Compatibility levels before 9 are deprecated (level 7 in use) dh_auto_install -O--parallel dh_auto_install: Compatibility levels before 9 are deprecated (level 7 in use) dh_install -O--parallel dh_install: Compatibility levels before 9 are deprecated (level 7 in use) dh_installdocs -O--parallel dh_installdocs: Compatibility levels before 9 are deprecated (level 7 in use) dh_installchangelogs -O--parallel dh_installchangelogs: Compatibility levels before 9 are deprecated (level 7 in use) dh_installexamples -O--parallel dh_installexamples: Compatibility levels before 9 are deprecated (level 7 in use) dh_installman -O--parallel dh_installman: Compatibility levels before 9 are deprecated (level 7 in use) dh_python2 -O--parallel W: dh_python2:479: Please add dh-python package to Build-Depends dh_installinit -O--parallel dh_installinit: Compatibility levels before 9 are deprecated (level 7 in use) dh_lintian -O--parallel dh_lintian: Compatibility levels before 9 are deprecated (level 7 in use) dh_perl -O--parallel dh_link -O--parallel dh_link: Compatibility levels before 9 are deprecated (level 7 in use) dh_strip_nondeterminism -O--parallel dh_compress -O--parallel dh_compress: Compatibility levels before 9 are deprecated (level 7 in use) dh_compress: Compatibility levels before 9 are deprecated (level 7 in use) dh_fixperms -O--parallel dh_missing -O--parallel dh_missing: Compatibility levels before 9 are deprecated (level 7 in use) dh_strip -O--parallel dh_strip: Compatibility levels before 9 are deprecated (level 7 in use) dh_strip: Compatibility levels before 9 are deprecated (level 7 in use) dh_makeshlibs -O--parallel dh_shlibdeps -O--parallel dh_shlibdeps: Compatibility levels before 9 are deprecated (level 7 in use) dh_shlibdeps: Compatibility levels before 9 are deprecated (level 7 in use) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/nwchem/usr/bin/nwchem was not linked against libquadmath.so.0 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/nwchem/usr/bin/nwchem was not linked against libpython2.7.so.1.0 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/nwchem/usr/bin/nwchem was not linked against libmpi_usempif08.so.40 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/nwchem/usr/bin/nwchem was not linked against libmpi_usempi_ignore_tkr.so.40 (it uses none of the library's symbols) dh_installdeb -O--parallel dh_installdeb: Compatibility levels before 9 are deprecated (level 7 in use) dh_gencontrol -O--parallel dpkg-gencontrol: warning: Depends field of package nwchem-data: substitution variable ${shlibs:Depends} used, but is not defined dh_md5sums -O--parallel dh_builddeb -O--parallel dpkg-deb: building package 'nwchem' in '../nwchem_6.8.1-5_amd64.deb'. dpkg-deb: building package 'nwchem-data' in '../nwchem-data_6.8.1-5_all.deb'. dpkg-deb: building package 'nwchem-dbgsym' in '../nwchem-dbgsym_6.8.1-5_amd64.deb'. dpkg-genbuildinfo --build=binary dpkg-genchanges --build=binary >../nwchem_6.8.1-5_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) I: copying local configuration I: user script /srv/workspace/pbuilder/14073/tmp/hooks/B01_cleanup starting I: user script /srv/workspace/pbuilder/14073/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/14073 and its subdirectories I: Current time: Mon Sep 12 20:37:19 +14 2022 I: pbuilder-time-stamp: 1662964639