I: pbuilder: network access will be disabled during build I: Current time: Mon Aug 9 03:37:43 -12 2021 I: pbuilder-time-stamp: 1628523463 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 Mon Mar 25 00:29:27 2019 -12 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/10525/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='amd64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=15' DISTRIBUTION='' HOME='/root' HOST_ARCH='amd64' IFS=' ' INVOCATION_ID='7398f677be1f47959242d2f7b0e5b5d6' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='10525' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.0jsg22DOOW/pbuilderrc_fGKM --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.0jsg22DOOW/b1 --logfile b1/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+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://78.137.99.97:3128' I: uname -a Linux ionos1-amd64 4.19.0-17-amd64 #1 SMP Debian 4.19.194-3 (2021-07-18) x86_64 GNU/Linux I: ls -l /bin total 5116 -rwxr-xr-x 1 root root 1168776 Apr 17 2019 bash -rwxr-xr-x 3 root root 38984 Jul 10 2019 bunzip2 -rwxr-xr-x 3 root root 38984 Jul 10 2019 bzcat lrwxrwxrwx 1 root root 6 Jul 10 2019 bzcmp -> bzdiff -rwxr-xr-x 1 root root 2227 Jul 10 2019 bzdiff lrwxrwxrwx 1 root root 6 Jul 10 2019 bzegrep -> bzgrep -rwxr-xr-x 1 root root 4877 Jun 24 2019 bzexe lrwxrwxrwx 1 root root 6 Jul 10 2019 bzfgrep -> bzgrep -rwxr-xr-x 1 root root 3641 Jul 10 2019 bzgrep -rwxr-xr-x 3 root root 38984 Jul 10 2019 bzip2 -rwxr-xr-x 1 root root 14328 Jul 10 2019 bzip2recover lrwxrwxrwx 1 root root 6 Jul 10 2019 bzless -> bzmore -rwxr-xr-x 1 root root 1297 Jul 10 2019 bzmore -rwxr-xr-x 1 root root 43744 Feb 28 2019 cat -rwxr-xr-x 1 root root 64320 Feb 28 2019 chgrp -rwxr-xr-x 1 root root 64288 Feb 28 2019 chmod -rwxr-xr-x 1 root root 72512 Feb 28 2019 chown -rwxr-xr-x 1 root root 146880 Feb 28 2019 cp -rwxr-xr-x 1 root root 121464 Jan 17 2019 dash -rwxr-xr-x 1 root root 109408 Feb 28 2019 date -rwxr-xr-x 1 root root 76712 Feb 28 2019 dd -rwxr-xr-x 1 root root 93744 Feb 28 2019 df -rwxr-xr-x 1 root root 138856 Feb 28 2019 dir -rwxr-xr-x 1 root root 84288 Jan 9 2019 dmesg lrwxrwxrwx 1 root root 8 Sep 26 2018 dnsdomainname -> hostname lrwxrwxrwx 1 root root 8 Sep 26 2018 domainname -> hostname -rwxr-xr-x 1 root root 39520 Feb 28 2019 echo -rwxr-xr-x 1 root root 28 Jan 7 2019 egrep -rwxr-xr-x 1 root root 35424 Feb 28 2019 false -rwxr-xr-x 1 root root 28 Jan 7 2019 fgrep -rwxr-xr-x 1 root root 68880 Jan 9 2019 findmnt -rwsr-xr-x 1 root root 34896 Apr 22 2020 fusermount -rwxr-xr-x 1 root root 198976 Jan 7 2019 grep -rwxr-xr-x 2 root root 2345 Jan 5 2019 gunzip -rwxr-xr-x 1 root root 6375 Jan 5 2019 gzexe -rwxr-xr-x 1 root root 98048 Jan 5 2019 gzip -rwxr-xr-x 1 root root 26696 Sep 26 2018 hostname -rwxr-xr-x 1 root root 68552 Feb 28 2019 ln -rwxr-xr-x 1 root root 56760 Jul 26 2018 login -rwxr-xr-x 1 root root 138856 Feb 28 2019 ls -rwxr-xr-x 1 root root 108624 Jan 9 2019 lsblk -rwxr-xr-x 1 root root 89088 Feb 28 2019 mkdir -rwxr-xr-x 1 root root 68544 Feb 28 2019 mknod -rwxr-xr-x 1 root root 43808 Feb 28 2019 mktemp -rwxr-xr-x 1 root root 43008 Jan 9 2019 more -rwsr-xr-x 1 root root 51280 Jan 9 2019 mount -rwxr-xr-x 1 root root 14408 Jan 9 2019 mountpoint -rwxr-xr-x 1 root root 138728 Feb 28 2019 mv lrwxrwxrwx 1 root root 8 Sep 26 2018 nisdomainname -> hostname lrwxrwxrwx 1 root root 14 Feb 14 2019 pidof -> /sbin/killall5 -rwxr-xr-x 1 root root 39616 Feb 28 2019 pwd lrwxrwxrwx 1 root root 4 Apr 17 2019 rbash -> bash -rwxr-xr-x 1 root root 47776 Feb 28 2019 readlink -rwxr-xr-x 1 root root 68416 Feb 28 2019 rm -rwxr-xr-x 1 root root 47776 Feb 28 2019 rmdir -rwxr-xr-x 1 root root 23312 Jan 21 2019 run-parts -rwxr-xr-x 1 root root 122224 Dec 22 2018 sed lrwxrwxrwx 1 root root 4 Aug 6 20:25 sh -> dash -rwxr-xr-x 1 root root 39552 Feb 28 2019 sleep -rwxr-xr-x 1 root root 80672 Feb 28 2019 stty -rwsr-xr-x 1 root root 63568 Jan 9 2019 su -rwxr-xr-x 1 root root 35488 Feb 28 2019 sync -rwxr-xr-x 1 root root 445560 Apr 23 2019 tar -rwxr-xr-x 1 root root 14440 Jan 21 2019 tempfile -rwxr-xr-x 1 root root 97152 Feb 28 2019 touch -rwxr-xr-x 1 root root 35424 Feb 28 2019 true -rwxr-xr-x 1 root root 14328 Apr 22 2020 ulockmgr_server -rwsr-xr-x 1 root root 34888 Jan 9 2019 umount -rwxr-xr-x 1 root root 39584 Feb 28 2019 uname -rwxr-xr-x 2 root root 2345 Jan 5 2019 uncompress -rwxr-xr-x 1 root root 138856 Feb 28 2019 vdir -rwxr-xr-x 1 root root 34896 Jan 9 2019 wdctl -rwxr-xr-x 1 root root 946 Jan 21 2019 which lrwxrwxrwx 1 root root 8 Sep 26 2018 ypdomainname -> hostname -rwxr-xr-x 1 root root 1983 Jan 5 2019 zcat -rwxr-xr-x 1 root root 1677 Jan 5 2019 zcmp -rwxr-xr-x 1 root root 5879 Jan 5 2019 zdiff -rwxr-xr-x 1 root root 29 Jan 5 2019 zegrep -rwxr-xr-x 1 root root 29 Jan 5 2019 zfgrep -rwxr-xr-x 1 root root 2080 Jan 5 2019 zforce -rwxr-xr-x 1 root root 7584 Jan 5 2019 zgrep -rwxr-xr-x 1 root root 2205 Jan 5 2019 zless -rwxr-xr-x 1 root root 1841 Jan 5 2019 zmore -rwxr-xr-x 1 root root 4552 Jan 5 2019 znew I: user script /srv/workspace/pbuilder/10525/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 (75.3 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 ... 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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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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 ... Unpacking libarmci-mpi-dev:amd64 (0.0~git20180917-2) ... Selecting previously unselected package libblas3:amd64. Preparing to unpack .../45-libblas3_3.8.0-2_amd64.deb ... Unpacking libblas3:amd64 (3.8.0-2) ... Selecting previously unselected package libblas-dev:amd64. Preparing to unpack .../46-libblas-dev_3.8.0-2_amd64.deb ... Unpacking libblas-dev:amd64 (3.8.0-2) ... Selecting previously unselected package libevent-2.1-6:amd64. Preparing to unpack .../47-libevent-2.1-6_2.1.8-stable-4_amd64.deb ... Unpacking libevent-2.1-6:amd64 (2.1.8-stable-4) ... Selecting previously unselected package libevent-core-2.1-6:amd64. Preparing to unpack .../48-libevent-core-2.1-6_2.1.8-stable-4_amd64.deb ... Unpacking libevent-core-2.1-6:amd64 (2.1.8-stable-4) ... Selecting previously unselected package libevent-pthreads-2.1-6:amd64. Preparing to unpack .../49-libevent-pthreads-2.1-6_2.1.8-stable-4_amd64.deb ... Unpacking libevent-pthreads-2.1-6:amd64 (2.1.8-stable-4) ... 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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" HOME="/nonexistent/first-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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found /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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX64/libnwdft.a make clean /bin/sh: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found rm -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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found /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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found rm -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] 25897 converting bas_blasP.F to 32-bit integers for BLAS/LAPACK [2] 25898 converting basis.F to 32-bit integers for BLAS/LAPACK [3] 25899 [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] 26732 converting geom_input.F to 32-bit integers for BLAS/LAPACK [2] 26733 converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK [3] 26734 converting geom_hnd.F to 32-bit integers for BLAS/LAPACK [4] 26735 [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] 26788 converting geom_getsym.F to 32-bit integers for BLAS/LAPACK [2] 26789 converting geom_2d.F to 32-bit integers for BLAS/LAPACK [3] 26790 [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] 31834 converting task_bsse.F to 32-bit integers for BLAS/LAPACK [2] 31835 [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] 32642 converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK [2] 32643 converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK [3] 32644 converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK [4] 32645 [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] 32646 converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK [2] 32647 converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK [3] 32648 converting dosymops.F to 32-bit integers for BLAS/LAPACK [4] 32649 [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] 32656 converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK [2] 32657 [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] 33790 converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK [2] 33793 converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK [3] 33794 converting ga_mix.F to 32-bit integers for BLAS/LAPACK [4] 33795 [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] 33993 converting ga_orthog.F to 32-bit integers for BLAS/LAPACK [2] 33995 converting dabsmax.F to 32-bit integers for BLAS/LAPACK [3] 33998 converting ga_normf.F to 32-bit integers for BLAS/LAPACK [4] 33999 [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] 34258 converting ga_it2.F to 32-bit integers for BLAS/LAPACK [2] 34260 converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK [3] 34261 converting util_file_name.F to 32-bit integers for BLAS/LAPACK [4] 34262 [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] 35083 converting util_patch_test.F to 32-bit integers for BLAS/LAPACK [2] 35084 converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK [3] 35085 converting util_dgeev.F to 32-bit integers for BLAS/LAPACK [4] 35086 [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] 35087 converting dfill.F to 32-bit integers for BLAS/LAPACK [2] 35088 converting ga_lkain_2cpl3_ext.F to 32-bit integers for BLAS/LAPACK [3] 35089 converting ga_it2.F to 32-bit integers for BLAS/LAPACK [4] 35090 [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] 38997 converting chol_bcst.c to 32-bit integers for BLAS/LAPACK [2] 38998 converting choleski9.c to 32-bit integers for BLAS/LAPACK [3] 38999 converting ci_entry.c to 32-bit integers for BLAS/LAPACK [4] 39000 [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] 39055 converting clustrf4.c to 32-bit integers for BLAS/LAPACK [2] 39056 converting clustrf5.c to 32-bit integers for BLAS/LAPACK [3] 39057 converting clustrfix.c to 32-bit integers for BLAS/LAPACK [4] 39058 [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] 39150 converting clustrxx30.c to 32-bit integers for BLAS/LAPACK [2] 39154 converting clustrxx31.c to 32-bit integers for BLAS/LAPACK [3] 39155 converting clustrxx33.c to 32-bit integers for BLAS/LAPACK [4] 39156 [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] 39295 converting clustrxx5.c to 32-bit integers for BLAS/LAPACK [2] 39296 converting clustrxx99.c to 32-bit integers for BLAS/LAPACK [3] 39297 converting conjug22.c to 32-bit integers for BLAS/LAPACK [4] 39298 [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] 39361 converting exit.c to 32-bit integers for BLAS/LAPACK [2] 39364 converting exit2.c to 32-bit integers for BLAS/LAPACK [3] 39365 converting forLL.c to 32-bit integers for BLAS/LAPACK [4] 39366 [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] 39421 converting gmax.c to 32-bit integers for BLAS/LAPACK [2] 39422 converting inv_it3.c to 32-bit integers for BLAS/LAPACK [3] 39423 converting inv_it4.c to 32-bit integers for BLAS/LAPACK [4] 39424 [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] 39479 converting inv_it5.c to 32-bit integers for BLAS/LAPACK [2] 39480 converting inv_it6.c to 32-bit integers for BLAS/LAPACK [3] 39481 converting inverse.c to 32-bit integers for BLAS/LAPACK [4] 39482 [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] 39585 converting mapchk.c to 32-bit integers for BLAS/LAPACK [2] 39586 converting mapdif.c to 32-bit integers for BLAS/LAPACK [3] 39587 converting mapdif1.c to 32-bit integers for BLAS/LAPACK [4] 39588 [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] 39672 converting mdif2b.c to 32-bit integers for BLAS/LAPACK [2] 39673 converting mdiff1.c to 32-bit integers for BLAS/LAPACK [3] 39674 converting mdiff2.c to 32-bit integers for BLAS/LAPACK [4] 39675 [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] 39700 converting memreq2.c to 32-bit integers for BLAS/LAPACK [2] 39701 converting memreq_eval.c to 32-bit integers for BLAS/LAPACK [3] 39702 converting memreq_f.c to 32-bit integers for BLAS/LAPACK [4] 39703 [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] 39894 converting mgs5.c to 32-bit integers for BLAS/LAPACK [2] 39895 converting mgscs.c to 32-bit integers for BLAS/LAPACK [3] 39896 converting mxm25.c to 32-bit integers for BLAS/LAPACK [4] 39897 [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] 40007 converting mxm88.c to 32-bit integers for BLAS/LAPACK [2] 40008 converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK [3] 40009 converting onenorm.c to 32-bit integers for BLAS/LAPACK [4] 40010 [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] 40116 converting ortho2.c to 32-bit integers for BLAS/LAPACK [2] 40117 converting pdcomplex.c to 32-bit integers for BLAS/LAPACK [3] 40118 converting pdiff.c to 32-bit integers for BLAS/LAPACK [4] 40119 [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] 40191 converting pdspeval.c to 32-bit integers for BLAS/LAPACK [2] 40194 converting pdspevx.c to 32-bit integers for BLAS/LAPACK [3] 40195 converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK [4] 40196 [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] 40434 converting pdsptri.c to 32-bit integers for BLAS/LAPACK [2] 40435 converting pdsptri2.c to 32-bit integers for BLAS/LAPACK [3] 40436 converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK [4] 40437 [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] 40754 converting pgexit.c to 32-bit integers for BLAS/LAPACK [2] 40755 converting pipe_fut.c to 32-bit integers for BLAS/LAPACK [3] 40756 converting pmmLSL.c to 32-bit integers for BLAS/LAPACK [4] 40757 [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] 40822 converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK [2] 40823 converting pscale.c to 32-bit integers for BLAS/LAPACK [3] 40824 converting pstebz10.c to 32-bit integers for BLAS/LAPACK [4] 40825 [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] 41043 converting pstebz9.c to 32-bit integers for BLAS/LAPACK [2] 41044 converting pstein3.c to 32-bit integers for BLAS/LAPACK [3] 41045 converting pstein4.c to 32-bit integers for BLAS/LAPACK [4] 41046 [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] 41343 converting pstein5.c to 32-bit integers for BLAS/LAPACK [2] 41344 converting pxerbla.c to 32-bit integers for BLAS/LAPACK [3] 41345 converting qsort.c to 32-bit integers for BLAS/LAPACK [4] 41346 [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] 41471 converting reducemap.c to 32-bit integers for BLAS/LAPACK [2] 41472 converting resid.c to 32-bit integers for BLAS/LAPACK [3] 41473 converting residual.c to 32-bit integers for BLAS/LAPACK [4] 41474 [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] 41695 converting shellsort.c to 32-bit integers for BLAS/LAPACK [2] 41697 converting soluf.c to 32-bit integers for BLAS/LAPACK [3] 41698 converting sonenorm.c to 32-bit integers for BLAS/LAPACK [4] 41699 [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] 41890 converting sort.c to 32-bit integers for BLAS/LAPACK [2] 41892 converting sorteig.c to 32-bit integers for BLAS/LAPACK [3] 41894 converting tred22.c to 32-bit integers for BLAS/LAPACK [4] 41895 [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] 42392 converting tresid.c to 32-bit integers for BLAS/LAPACK [2] 42393 converting util.c to 32-bit integers for BLAS/LAPACK [3] 42396 converting xerbla.c to 32-bit integers for BLAS/LAPACK [4] 42397 [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] 42580 converting gdot.F to 32-bit integers for BLAS/LAPACK [2] 42581 [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] 44506 converting inverm.F to 32-bit integers for BLAS/LAPACK [2] 44507 converting dgetavec.F to 32-bit integers for BLAS/LAPACK [3] 44509 converting dgetavec2.f to 32-bit integers for BLAS/LAPACK [4] 44510 [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] 44534 converting dgetavec4.F to 32-bit integers for BLAS/LAPACK [2] 44535 converting dptsvx2.f to 32-bit integers for BLAS/LAPACK [3] 44536 converting dspevx2.F to 32-bit integers for BLAS/LAPACK [4] 44537 [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] 45842 converting mxbrod.F to 32-bit integers for BLAS/LAPACK [2] 45843 converting mxcombv1.F to 32-bit integers for BLAS/LAPACK [3] 45844 converting mxsubs.F to 32-bit integers for BLAS/LAPACK [4] 45845 [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] 45866 converting sum.F to 32-bit integers for BLAS/LAPACK [2] 45867 [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] 47132 converting choleski_f.c to 32-bit integers for BLAS/LAPACK [2] 47133 converting inverse_f.c to 32-bit integers for BLAS/LAPACK [3] 47134 converting mxm25_f.c to 32-bit integers for BLAS/LAPACK [4] 47135 [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] 47144 converting mxm88_f.c to 32-bit integers for BLAS/LAPACK [2] 47145 converting onenorm_f.c to 32-bit integers for BLAS/LAPACK [3] 47146 converting ortho_f.c to 32-bit integers for BLAS/LAPACK [4] 47147 [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] 47159 converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK [2] 47160 converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK [3] 47161 converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK [4] 47162 [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] 47185 converting resid_f.c to 32-bit integers for BLAS/LAPACK [2] 47186 converting residual_f.c to 32-bit integers for BLAS/LAPACK [3] 47187 converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK [4] 47188 [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] 47199 [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] 49006 [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] 51779 converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK [2] 51780 converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK [3] 51781 converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK [4] 51782 [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] 51807 converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK [2] 51808 converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK [3] 51809 converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK [4] 51810 [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] 51824 converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK [2] 51825 converting intp_txyz.F to 32-bit integers for BLAS/LAPACK [3] 51826 converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK [4] 51827 [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] 51850 converting int_2e4c.F to 32-bit integers for BLAS/LAPACK [2] 51851 converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK [3] 51852 converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK [4] 51853 [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] 51862 converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK [2] 51863 converting intd_1epot.F to 32-bit integers for BLAS/LAPACK [3] 51864 converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK [4] 51865 [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] 51878 converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK [2] 51879 converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK [3] 51880 converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK [4] 51881 [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] 51891 [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] 52791 converting hfkei.f to 32-bit integers for BLAS/LAPACK [2] 52792 converting hfnai.f to 32-bit integers for BLAS/LAPACK [3] 52793 converting hfnai_er.F to 32-bit integers for BLAS/LAPACK [4] 52794 [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] 52826 converting igamma.F to 32-bit integers for BLAS/LAPACK [2] 52827 converting hferi.F to 32-bit integers for BLAS/LAPACK [3] 52828 converting hf1.F to 32-bit integers for BLAS/LAPACK [4] 52829 [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] 52841 [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] 53764 converting spherical.F to 32-bit integers for BLAS/LAPACK [2] 53765 converting xlm_norm.F to 32-bit integers for BLAS/LAPACK [3] 53766 converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK [4] 53767 [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] 53905 converting int_spcart2.F to 32-bit integers for BLAS/LAPACK [2] 53906 [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] 54886 [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] 55886 converting hf1d.F to 32-bit integers for BLAS/LAPACK [2] 55887 converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK [3] 55888 converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK [4] 55889 [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] 55894 converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK [2] 55895 converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK [3] 55896 converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK [4] 55897 [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] 55954 converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK [2] 55955 converting hfd3oi.F to 32-bit integers for BLAS/LAPACK [3] 55957 converting hf2d_all.F to 32-bit integers for BLAS/LAPACK [4] 55958 [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] 55971 converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK [2] 55972 [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] 56872 converting big_service.F to 32-bit integers for BLAS/LAPACK [2] 56873 converting trobsa.F to 32-bit integers for BLAS/LAPACK [3] 56874 converting getmem.F to 32-bit integers for BLAS/LAPACK [4] 56875 [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] 58028 converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK [2] 58029 converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK [3] 58030 converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK [4] 58031 [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] 58042 converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK [2] 58043 converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK [3] 58044 converting ecp_int0.F to 32-bit integers for BLAS/LAPACK [4] 58045 [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] 58092 converting ecp_int2.F to 32-bit integers for BLAS/LAPACK [2] 58093 converting ecp_integral.F to 32-bit integers for BLAS/LAPACK [3] 58094 converting ecp_local0.F to 32-bit integers for BLAS/LAPACK [4] 58095 [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] 58129 converting ecp_local2.F to 32-bit integers for BLAS/LAPACK [2] 58130 converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK [3] 58131 converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK [4] 58132 [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] 58146 converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK [2] 58147 converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK [3] 58148 converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK [4] 58149 [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] 58170 converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK [2] 58171 converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK [3] 58172 converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK [4] 58173 [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] 58177 converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK [2] 58178 converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK [3] 58179 converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK [4] 58180 [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] 58183 converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK [2] 58184 converting int_ecp.F to 32-bit integers for BLAS/LAPACK [3] 58185 [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] 59164 converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK [2] 59165 converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK [3] 59166 converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK [4] 59167 [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] 59185 converting hnd_dso.F to 32-bit integers for BLAS/LAPACK [2] 59186 converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK [3] 59187 converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK [4] 59188 [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] 59195 converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK [2] 59196 converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK [3] 59197 converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK [4] 59198 [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] 59216 converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK [2] 59217 converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK [3] 59218 converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK [4] 59219 [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] 59269 converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK [2] 59270 converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK [3] 59271 [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] 60348 converting rel_oneld.F to 32-bit integers for BLAS/LAPACK [2] 60349 converting rel_mpole.F to 32-bit integers for BLAS/LAPACK [3] 60350 converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK [4] 60351 [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] 60416 converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK [2] 60417 converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK [3] 60418 converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK [4] 60419 [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] 60462 converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK [2] 60463 converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK [3] 60464 converting rel_pot.F to 32-bit integers for BLAS/LAPACK [4] 60465 [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] 60484 converting rel_pot2.F to 32-bit integers for BLAS/LAPACK [2] 60485 [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] 61970 converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK [2] 61971 [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] 65447 converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK [2] 65448 converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK [3] 65449 [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] 1131 converting ao_replicated.F to 32-bit integers for BLAS/LAPACK [2] 1132 converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK [3] 1133 converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK [4] 1134 [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] 1184 converting movecs_lock.F to 32-bit integers for BLAS/LAPACK [2] 1185 converting movecs_phase.F to 32-bit integers for BLAS/LAPACK [3] 1186 converting riscf_fock.F to 32-bit integers for BLAS/LAPACK [4] 1187 [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] 1207 converting rohf_diis.F to 32-bit integers for BLAS/LAPACK [2] 1208 converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK [3] 1209 converting scf_movecs.F to 32-bit integers for BLAS/LAPACK [4] 1210 [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] 1213 converting uhf.F to 32-bit integers for BLAS/LAPACK [2] 1214 converting movecs_frag.F to 32-bit integers for BLAS/LAPACK [3] 1215 converting localize.F to 32-bit integers for BLAS/LAPACK [4] 1216 [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] 1230 converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK [2] 1231 converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK [3] 1232 converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK [4] 1233 [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] 1340 converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK [2] 1341 [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] 2161 converting pot_shell.F to 32-bit integers for BLAS/LAPACK [2] 2162 converting fmm.F to 32-bit integers for BLAS/LAPACK [3] 2163 converting newfmm.F to 32-bit integers for BLAS/LAPACK [4] 2164 [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] 2204 converting cart_trans.F to 32-bit integers for BLAS/LAPACK [2] 2205 converting xlm_poles.F to 32-bit integers for BLAS/LAPACK [3] 2206 converting fastj.F to 32-bit integers for BLAS/LAPACK [4] 2207 [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] 2242 [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] 3255 converting ga_reorder.F to 32-bit integers for BLAS/LAPACK [2] 3256 converting grad_dens.F to 32-bit integers for BLAS/LAPACK [3] 3257 [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] 4194 converting moints_6x.F to 32-bit integers for BLAS/LAPACK [2] 4195 converting moints_aux2.F to 32-bit integers for BLAS/LAPACK [3] 4196 converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK [4] 4197 [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] 4204 converting moints_semi.F to 32-bit integers for BLAS/LAPACK [2] 4205 converting sifs0.F to 32-bit integers for BLAS/LAPACK [3] 4206 converting sifs1.F to 32-bit integers for BLAS/LAPACK [4] 4207 [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] 5835 [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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found /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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found /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] 7506 converting diis_bld12.F to 32-bit integers for BLAS/LAPACK [2] 7507 converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK [3] 7508 converting dft_densm.F to 32-bit integers for BLAS/LAPACK [4] 7509 [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] 7510 converting dft_canorg.F to 32-bit integers for BLAS/LAPACK [2] 7511 converting cdft_util.F to 32-bit integers for BLAS/LAPACK [3] 7512 [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] 9133 converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK [2] 9134 converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK [3] 9135 converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK [4] 9136 [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] 9137 converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK [2] 9138 converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK [3] 9139 converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK [4] 9140 [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] 9142 [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] 9959 converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK [2] 9960 converting dft_genspm.F to 32-bit integers for BLAS/LAPACK [3] 9961 converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK [4] 9962 [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] 9963 [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] 10793 converting xc_dirac.F to 32-bit integers for BLAS/LAPACK [2] 10794 converting xc_bnl.F to 32-bit integers for BLAS/LAPACK [3] 10795 converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK [4] 10796 [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] 10797 converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK [2] 10798 converting xc_oep.F to 32-bit integers for BLAS/LAPACK [3] 10799 converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK [4] 10800 [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] 10807 converting localize_sic.F to 32-bit integers for BLAS/LAPACK [2] 10808 converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK [3] 10809 converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK [4] 10810 [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] 10837 converting xc_optc.F to 32-bit integers for BLAS/LAPACK [2] 10838 converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK [3] 10839 converting scat_mat.F to 32-bit integers for BLAS/LAPACK [4] 10840 [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] 10850 converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK [2] 10851 converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK [3] 10852 converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK [4] 10853 [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] 11838 converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK [2] 11839 [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] 12654 converting grid_beckew.F to 32-bit integers for BLAS/LAPACK [2] 12655 converting grid_file.F to 32-bit integers for BLAS/LAPACK [3] 12656 converting grid_setspac.F to 32-bit integers for BLAS/LAPACK [4] 12657 [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] 12658 converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK [2] 12659 converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK [3] 12660 converting grid_tasks.F to 32-bit integers for BLAS/LAPACK [4] 12661 [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] 12666 converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK [2] 12667 converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK [3] 12668 converting grid_sympts.F to 32-bit integers for BLAS/LAPACK [4] 12669 [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] 12674 converting grid_finpts.F to 32-bit integers for BLAS/LAPACK [2] 12675 converting grid_ylm.F to 32-bit integers for BLAS/LAPACK [3] 12676 converting grid_eaf.F to 32-bit integers for BLAS/LAPACK [4] 12677 [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] 13491 converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK [2] 13492 converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK [3] 13493 converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK [4] 13494 [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] 13495 converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK [2] 13496 converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK [3] 13497 [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] 14322 converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK [2] 14323 converting tddft_analysis.F to 32-bit integers for BLAS/LAPACK [3] 14324 converting tddft_restart.F to 32-bit integers for BLAS/LAPACK [4] 14325 [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] 15142 converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK [2] 15143 converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK [3] 15144 converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK [4] 15145 [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] 15149 converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK [2] 15150 converting tddft_grad_compute_g.F to 32-bit integers for BLAS/LAPACK [3] 15151 [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] 15959 converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK [2] 15960 converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK [3] 15961 converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK [4] 15962 [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] 16059 converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK [2] 16060 converting dft_zora_utils_so.F to 32-bit integers for BLAS/LAPACK [3] 16061 [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] 18612 converting zmat_inv.F to 32-bit integers for BLAS/LAPACK [2] 18613 [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] 26490 converting eval_3ci.F to 32-bit integers for BLAS/LAPACK [2] 26491 converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK [3] 26492 converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK [4] 26494 [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] 26602 [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] 27849 converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK [2] 27850 converting stpr_partit.F to 32-bit integers for BLAS/LAPACK [3] 27851 converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK [4] 27852 [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] 28881 converting oniom.F to 32-bit integers for BLAS/LAPACK [2] 28882 converting lbfgs.F to 32-bit integers for BLAS/LAPACK [3] 28883 converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK [4] 28884 [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] 28965 [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] 31850 [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] 32714 [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] 33744 converting neb_utils.F to 32-bit integers for BLAS/LAPACK [2] 33745 converting bead_list.F to 32-bit integers for BLAS/LAPACK [3] 33746 converting neb_input.F to 32-bit integers for BLAS/LAPACK [4] 33747 [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] 35205 [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] 37569 converting ccsd_itm_omp.F to 32-bit integers for BLAS/LAPACK [2] 37570 converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK [3] 37571 converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK [4] 37572 [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] 37724 converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK [2] 37725 converting ccsd_idx1.F to 32-bit integers for BLAS/LAPACK [3] 37726 converting ccsd_idx2.F to 32-bit integers for BLAS/LAPACK [4] 37727 [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] 37732 converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK [2] 37733 converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK [3] 37734 converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK [4] 37735 [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] 37740 converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK [2] 37741 converting ccsd_trpdrv_omp_mixprec.F to 32-bit integers for BLAS/LAPACK [3] 37742 converting moints_trp.F to 32-bit integers for BLAS/LAPACK [4] 37743 [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] 37765 converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK [2] 37766 converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK [3] 37767 converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK [4] 37768 [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] 37801 converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK [2] 37802 converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK [3] 37803 converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK [4] 37804 [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] 37893 converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK [2] 37894 converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK [3] 37895 converting aoccsd2.F to 32-bit integers for BLAS/LAPACK [4] 37896 [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] 37985 [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] 39155 converting vib_hmass.F to 32-bit integers for BLAS/LAPACK [2] 39156 converting vib_intense.F to 32-bit integers for BLAS/LAPACK [3] 39157 converting vib_nmass.F to 32-bit integers for BLAS/LAPACK [4] 39158 [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] 39181 converting vib_vib.F to 32-bit integers for BLAS/LAPACK [2] 39182 converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK [3] 39183 converting vib_istep.F to 32-bit integers for BLAS/LAPACK [4] 39184 [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] 39226 converting vib_phonon.F to 32-bit integers for BLAS/LAPACK [2] 39227 [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] 40520 converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK [2] 40522 converting mcscf_b.F to 32-bit integers for BLAS/LAPACK [3] 40523 converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK [4] 40524 [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] 40842 converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK [2] 40843 converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK [3] 40844 converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK [4] 40845 [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] 44234 converting detci_dens.F to 32-bit integers for BLAS/LAPACK [2] 44235 converting detci_diag.F to 32-bit integers for BLAS/LAPACK [3] 44236 converting detci_sigma.F to 32-bit integers for BLAS/LAPACK [4] 44237 [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] 44541 [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] 52568 converting esp_denmat.F to 32-bit integers for BLAS/LAPACK [2] 52569 [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] 55619 [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] 58908 converting hess_restart.F to 32-bit integers for BLAS/LAPACK [2] 58909 converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK [3] 58910 converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK [4] 58911 [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] 59464 [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] 62370 converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK [2] 62371 converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK [3] 62372 [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] 64805 converting fcidim.F to 32-bit integers for BLAS/LAPACK [2] 64806 converting makeh.F to 32-bit integers for BLAS/LAPACK [3] 64807 converting makehs.F to 32-bit integers for BLAS/LAPACK [4] 64808 [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] 65096 converting tester.F to 32-bit integers for BLAS/LAPACK [2] 65097 converting selci_hpp.F to 32-bit integers for BLAS/LAPACK [3] 65098 [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] 1589 converting dmat.F to 32-bit integers for BLAS/LAPACK [2] 1591 converting create_contour.F to 32-bit integers for BLAS/LAPACK [3] 1592 converting get_charges.F to 32-bit integers for BLAS/LAPACK [4] 1593 [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] 1889 [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] 3535 converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK [2] 3536 converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK [3] 3537 converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK [4] 3538 [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] 3723 converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK [2] 3724 converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK [3] 3725 converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK [4] 3727 [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] 6500 converting wnbofile.F to 32-bit integers for BLAS/LAPACK [2] 6501 converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK [3] 6502 converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK [4] 6503 [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] 6895 converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK [2] 6898 converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK [3] 6899 converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK [4] 6900 [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] 7315 converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK [2] 7316 converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK [3] 7318 converting raman.F to 32-bit integers for BLAS/LAPACK [4] 7319 [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] 8091 converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK [2] 8092 converting wshldfile.F to 32-bit integers for BLAS/LAPACK [3] 8093 converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK [4] 8094 [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] 10307 converting wefgfile.F to 32-bit integers for BLAS/LAPACK [2] 10308 converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK [3] 10309 converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK [4] 10310 [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] 10467 converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK [2] 10468 [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] 17442 converting Parallel.F to 32-bit integers for BLAS/LAPACK [2] 17443 [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] 19582 converting Dne.F to 32-bit integers for BLAS/LAPACK [2] 19583 converting skew.F to 32-bit integers for BLAS/LAPACK [3] 19584 converting Dne_omp.F to 32-bit integers for BLAS/LAPACK [4] 19585 [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] 22217 [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] 23085 converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK [2] 23086 converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK [3] 23087 converting D3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK [4] 23088 [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] 24217 [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] 25288 [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] 26168 converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK [2] 26169 converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK [3] 26170 converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK [4] 26171 [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] 27251 converting DMatrix.F to 32-bit integers for BLAS/LAPACK [2] 27252 converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK [3] 27253 [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] 28241 converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK [2] 28242 converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK [3] 28243 [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] 29176 converting ffm_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK [2] 29177 [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] 30064 [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] 31097 converting pack.F to 32-bit integers for BLAS/LAPACK [2] 31098 converting G_init.F to 32-bit integers for BLAS/LAPACK [3] 31099 converting cram.F to 32-bit integers for BLAS/LAPACK [4] 31101 [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] 31195 [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] 32910 converting fcoord.f to 32-bit integers for BLAS/LAPACK [2] 32911 converting incell1.f to 32-bit integers for BLAS/LAPACK [3] 32912 converting incell2.f to 32-bit integers for BLAS/LAPACK [4] 32913 [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] 33034 converting unfold.f to 32-bit integers for BLAS/LAPACK [2] 33035 converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK [3] 33036 converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK [4] 33037 [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] 33050 [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] 33941 [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] 37232 converting matrix.f to 32-bit integers for BLAS/LAPACK [2] 37233 converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK [3] 37234 converting kerker_G.F to 32-bit integers for BLAS/LAPACK [4] 37235 [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] 37257 converting cellgeometry.F to 32-bit integers for BLAS/LAPACK [2] 37258 converting nwpw_list.F to 32-bit integers for BLAS/LAPACK [3] 37260 converting cpsi_data.F to 32-bit integers for BLAS/LAPACK [4] 37261 [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] 37280 converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK [2] 37281 converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK [3] 37282 converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK [4] 37283 [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] 37290 [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] 38377 converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK [2] 38378 converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK [3] 38379 converting nwpw_compcharge2.F to 32-bit integers for BLAS/LAPACK [4] 38380 [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] 41015 converting frac_occ.F to 32-bit integers for BLAS/LAPACK [2] 41016 [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] 42618 [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] 43421 converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK [2] 43422 [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] 44333 [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] 45140 [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] 45947 [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] 46759 [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] 47562 [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] 49309 converting nwpwxc_vdw3c.F to 32-bit integers for BLAS/LAPACK [2] 49310 converting nwpwxc_eval.F to 32-bit integers for BLAS/LAPACK [3] 49311 converting nwpwxc_c_vwn_a.fh to 32-bit integers for BLAS/LAPACK [4] 49312 [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] 52947 converting geodesic.F to 32-bit integers for BLAS/LAPACK [2] 52948 converting geodesic2.F to 32-bit integers for BLAS/LAPACK [3] 52949 converting Grassman.F to 32-bit integers for BLAS/LAPACK [4] 52950 [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] 52957 converting psi_history.F to 32-bit integers for BLAS/LAPACK [2] 52958 converting skew.F to 32-bit integers for BLAS/LAPACK [3] 52959 converting geodesic1.F to 32-bit integers for BLAS/LAPACK [4] 52960 [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] 52961 converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK [2] 52962 [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] 53766 converting psi_H.F to 32-bit integers for BLAS/LAPACK [2] 53767 converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK [3] 53768 [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] 54591 [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] 55409 converting coulomb2.F to 32-bit integers for BLAS/LAPACK [2] 55410 converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK [3] 55411 converting coulomb_screened_small.F to 32-bit integers for BLAS/LAPACK [4] 55412 [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] 56220 converting v_bwexc.F to 32-bit integers for BLAS/LAPACK [2] 56221 converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK [3] 56222 converting v_mexc.F to 32-bit integers for BLAS/LAPACK [4] 56223 [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] 57031 [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] 57859 converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK [2] 57860 [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] 59484 converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK [2] 59485 converting paw.F to 32-bit integers for BLAS/LAPACK [3] 59486 converting semicore.F to 32-bit integers for BLAS/LAPACK [4] 59487 [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] 59497 converting psp_stress.F to 32-bit integers for BLAS/LAPACK [2] 59498 converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK [3] 59499 converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK [4] 59500 [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] 59506 converting psp_ld.F to 32-bit integers for BLAS/LAPACK [2] 59507 [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] 60323 converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK [2] 60324 converting pspw_diis.F to 32-bit integers for BLAS/LAPACK [3] 60325 converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK [4] 60326 [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] 60327 [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] 61133 [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] 61930 [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] 62741 converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK [2] 62742 converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK [3] 62743 converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK [4] 62744 [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] 62745 converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK [2] 62746 converting HGH_local.F to 32-bit integers for BLAS/LAPACK [3] 62747 converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 62748 [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] 62749 converting hghppv1.F to 32-bit integers for BLAS/LAPACK [2] 62750 converting pawppv1.F to 32-bit integers for BLAS/LAPACK [3] 62751 converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK [4] 62752 [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] 62753 converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 62754 converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK [3] 62755 converting junk.f to 32-bit integers for BLAS/LAPACK [4] 62756 [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] 62767 converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 62768 converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 62769 converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK [4] 62770 [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] 62779 converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK [2] 62780 converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK [3] 62781 converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK [4] 62782 [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] 62789 converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 62790 converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 62791 converting kbppv3d.F to 32-bit integers for BLAS/LAPACK [4] 62792 [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] 63601 converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK [2] 63602 converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK [3] 63603 converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [4] 63604 [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] 63605 converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK [2] 63606 converting expand_cell.F to 32-bit integers for BLAS/LAPACK [3] 63607 converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK [4] 63608 [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] 63611 converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK [2] 63612 converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK [3] 63613 converting makenodefunctions.F to 32-bit integers for BLAS/LAPACK [4] 63614 [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] 63623 [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] 64423 converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK [2] 64424 converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK [3] 64425 converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK [4] 64426 [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] 64427 converting inner_loop.F to 32-bit integers for BLAS/LAPACK [2] 64428 converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK [3] 64429 converting cpsdv5.F to 32-bit integers for BLAS/LAPACK [4] 64430 [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] 64431 converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK [2] 64432 converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK [3] 64433 converting mmsdv1.F to 32-bit integers for BLAS/LAPACK [4] 64434 [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] 64441 converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK [2] 64442 converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK [3] 64443 converting mm_loop.F to 32-bit integers for BLAS/LAPACK [4] 64444 [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] 64445 converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK [2] 64446 [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] 65249 converting cgmdv5.F to 32-bit integers for BLAS/LAPACK [2] 65250 converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK [3] 65251 converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK [4] 65252 [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] 65254 converting bybminimize.F to 32-bit integers for BLAS/LAPACK [2] 65255 converting bybminimize2.F to 32-bit integers for BLAS/LAPACK [3] 65256 converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK [4] 65257 [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] 65272 converting mmmdv1.F to 32-bit integers for BLAS/LAPACK [2] 65273 converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK [3] 65274 converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK [4] 65275 [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] 65280 converting cgminimize2.F to 32-bit integers for BLAS/LAPACK [2] 65281 converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK [3] 65282 converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK [4] 65283 [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] 876 converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK [2] 877 converting analysis.F to 32-bit integers for BLAS/LAPACK [3] 878 converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK [4] 879 [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] 880 [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] 1698 converting pspw_Efield.F to 32-bit integers for BLAS/LAPACK [2] 1699 converting pspw_Efield_grad.F to 32-bit integers for BLAS/LAPACK [3] 1700 [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] 2509 converting stress_fd.F to 32-bit integers for BLAS/LAPACK [2] 2510 converting force_fd.F to 32-bit integers for BLAS/LAPACK [3] 2511 [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] 3324 [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] 4135 [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] 4935 [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] 5739 [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] 6609 [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] 7412 converting pspw_cosmo.F to 32-bit integers for BLAS/LAPACK [2] 7413 [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] 8220 converting ELF.F to 32-bit integers for BLAS/LAPACK [2] 8221 [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] 9035 converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK [2] 9036 converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK [3] 9037 converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK [4] 9038 [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] 9039 converting lcao_diis.F to 32-bit integers for BLAS/LAPACK [2] 9040 converting lcaov1.F to 32-bit integers for BLAS/LAPACK [3] 9041 [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] 12276 [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] 13906 [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] 15516 converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK [2] 15517 [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] 19658 [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] 23722 converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK [2] 23723 [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] 25664 converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK [2] 25665 converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK [3] 25666 [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] 27014 [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] 28237 [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] 29214 [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] 30743 [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] 32303 converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK [2] 32304 [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] 33566 converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK [2] 33567 converting paw_electron.F to 32-bit integers for BLAS/LAPACK [3] 33568 converting paw_psi2.F to 32-bit integers for BLAS/LAPACK [4] 33569 [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] 36597 converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK [2] 36598 converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK [3] 36599 converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK [4] 36600 [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] 37491 converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK [2] 37492 converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [3] 37493 converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK [4] 37494 [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] 38377 converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK [2] 38378 [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] 40271 converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [2] 40272 converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK [3] 40273 converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK [4] 40274 [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] 40306 converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK [2] 40307 [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] 41186 converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK [2] 41187 converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK [3] 41188 converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK [4] 41189 [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] 42461 converting band_cpmd.F to 32-bit integers for BLAS/LAPACK [2] 42462 converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK [3] 42463 converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK [4] 42464 [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] 44198 converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK [2] 44199 [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] 45387 converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK [2] 45388 converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK [3] 45389 converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK [4] 45390 [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] 45550 converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK [2] 45551 converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK [3] 45553 converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK [4] 45554 [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] 45653 converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK [2] 45654 converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [3] 45655 converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK [4] 45656 [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] 45723 converting hghpp_band.F to 32-bit integers for BLAS/LAPACK [2] 45724 converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK [3] 45726 converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK [4] 45727 [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] 45820 converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK [2] 45821 converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK [3] 45822 converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK [4] 45823 [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] 46064 converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [2] 46065 converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK [3] 46072 converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 46073 [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] 46322 converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK [2] 46323 converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK [3] 46324 converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK [4] 46326 [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] 46545 converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK [2] 46546 converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 46547 converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 46548 [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] 46864 [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] 47967 converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [2] 47968 converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK [3] 47969 converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [4] 47970 [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] 50893 converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK [2] 50894 converting c_semicore.F to 32-bit integers for BLAS/LAPACK [3] 50895 converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK [4] 50896 [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] 51741 converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK [2] 51742 converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK [3] 51743 converting cpsp_U.F to 32-bit integers for BLAS/LAPACK [4] 51744 [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] 53696 [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] 55744 converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK [2] 55745 [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] 57789 converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK [2] 57790 converting cpsi_H.F to 32-bit integers for BLAS/LAPACK [3] 57791 [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] 60078 converting c_geodesic.F to 32-bit integers for BLAS/LAPACK [2] 60079 converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK [3] 60080 converting BGrsm.F to 32-bit integers for BLAS/LAPACK [4] 60082 [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] 60845 converting cpsi_read.F to 32-bit integers for BLAS/LAPACK [2] 60846 converting cpsi_write.F to 32-bit integers for BLAS/LAPACK [3] 60848 converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK [4] 60849 [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] 61502 [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] 63142 [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] 65126 converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK [2] 65127 [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] 1608 converting borb_projector.F to 32-bit integers for BLAS/LAPACK [2] 1611 [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] 3883 [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] 6443 converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK [2] 6444 [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] 10351 converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [2] 10352 converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK [3] 10353 [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] 12637 converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK [2] 12638 converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK [3] 12639 [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] 20397 converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK [2] 20398 [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] 22934 [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] 24838 [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] 33150 converting fillup.F to 32-bit integers for BLAS/LAPACK [2] 33151 [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] 39358 converting nwc_s2.F to 32-bit integers for BLAS/LAPACK [2] 39359 converting nwc_s1.F to 32-bit integers for BLAS/LAPACK [3] 39360 [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] 40804 [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] 42674 converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK [2] 42675 converting mm_interface.F to 32-bit integers for BLAS/LAPACK [3] 42676 [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] 45478 [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] 46418 converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK [2] 46419 converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK [3] 46420 converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK [4] 46421 [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] 46442 converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK [2] 46443 converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK [3] 46444 converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK [4] 46445 [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] 46470 converting tce_mod1.F to 32-bit integers for BLAS/LAPACK [2] 46471 converting tce_moq1.F to 32-bit integers for BLAS/LAPACK [3] 46472 converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK [4] 46473 Could not open file: tce_moq1.F.46472 [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] 46610 converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK [2] 46611 converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK [3] 46612 converting tce_aod1.F to 32-bit integers for BLAS/LAPACK [4] 46613 [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] 46644 converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK [2] 46645 converting tce_ao_mp1.F to 32-bit integers for BLAS/LAPACK [3] 46646 converting tce_mo_mp1.F to 32-bit integers for BLAS/LAPACK [4] 46647 Could not open file: tce_ao_mp1.F.46646 Could not open file: tce_aoq1.F.46644 Could not open file: tce_mo_mp1.F.46647 [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] 46662 converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK [2] 46663 converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK [3] 46664 converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK [4] 46665 [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] 47068 converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK [2] 47069 converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK [3] 47070 converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK [4] 47071 [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] 47175 converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK [2] 47176 converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK [3] 47177 converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK [4] 47178 [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] 47324 converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK [2] 47325 converting ddotfile.F to 32-bit integers for BLAS/LAPACK [3] 47326 converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK [4] 47327 [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] 47434 converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK [2] 47435 converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK [3] 47436 converting tce_diis_act.F to 32-bit integers for BLAS/LAPACK [4] 47437 [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] 48667 converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK [2] 48668 converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK [3] 48669 converting daxpyfile.F to 32-bit integers for BLAS/LAPACK [4] 48670 [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] 48755 converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK [2] 48756 converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK [3] 48757 converting tce_dgeev.F to 32-bit integers for BLAS/LAPACK [4] 48758 [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] 49518 converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK [2] 49519 converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK [3] 49520 converting tce_mo2e_zones_4a_disk_ga_N5.F to 32-bit integers for BLAS/LAPACK [4] 49521 [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] 49785 converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK [2] 49786 converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK [3] 49787 converting new4ind_N5_osu.F to 32-bit integers for BLAS/LAPACK [4] 49788 [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] 53315 [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] 54798 [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] 55830 converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 55831 converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK [3] 55833 converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 55834 [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] 55979 converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 55980 converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [3] 55981 converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 55982 [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] 56387 converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 56389 converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 56390 converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 56391 [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] 56660 converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK [2] 56661 converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK [3] 56662 converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK [4] 56663 [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] 56687 converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK [2] 56688 converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK [3] 56689 converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK [4] 56690 [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] 56693 converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK [2] 56694 converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK [3] 56695 converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK [4] 56696 [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] 56699 converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK [2] 56700 converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK [3] 56701 converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK [4] 56702 [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] 56703 converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK [2] 56704 converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK [3] 56705 converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK [4] 56706 [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] 56707 converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK [2] 56708 converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK [3] 56709 converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK [4] 56710 [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] 56713 converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 56714 converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 56715 converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 56716 [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] 56743 converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK [2] 56744 converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK [3] 56745 converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK [4] 56746 [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] 56778 converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK [2] 56779 converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK [3] 56780 converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK [4] 56781 [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] 56792 converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK [2] 56793 converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK [3] 56794 converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK [4] 56795 [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] 56818 converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 56819 converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 56820 converting wdm_hp_mo_b_b_a.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 wdm_hp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK [1] 56831 converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK [2] 56832 converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [3] 56833 converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [4] 56834 [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] 56860 converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [2] 56861 converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK [3] 56862 converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK [4] 56864 [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] 56894 converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK [2] 56896 converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK [3] 56897 converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK [4] 56898 [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] 56930 converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK [2] 56931 converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [3] 56932 converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [4] 56933 [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] 56968 converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [2] 56969 converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK [3] 56970 converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 56971 [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] 57156 converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK [2] 57157 converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [3] 57158 converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [4] 57159 [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] 57373 converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 57375 converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 57376 converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 57377 [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] 58397 converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 58398 converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 58399 converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK [4] 58400 [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] 60228 converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK [2] 60229 converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK [3] 60230 converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 60231 [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] 62052 converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK [2] 62053 converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK [3] 62054 converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK [4] 62055 [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] 63171 converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 63172 converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 63173 converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 63174 [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] 63555 converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK [2] 63556 converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK [3] 63557 converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 63558 [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] 63718 converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 63719 converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 63720 converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 63721 [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] 65149 converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK [2] 65150 converting cis_x1.F to 32-bit integers for BLAS/LAPACK [3] 65151 converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [4] 65152 [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] 65304 converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 65305 converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 65306 converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 65307 [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] 65376 converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 65377 converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 65378 converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 65379 [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] 65420 converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 65421 converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [3] 65422 converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [4] 65423 [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] 333 converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [2] 335 converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 338 converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK [4] 339 [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] 1513 converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [2] 1514 converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK [3] 1516 converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 1517 [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] 6477 converting btrans1.F to 32-bit integers for BLAS/LAPACK [2] 6478 converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK [3] 6479 converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [4] 6480 [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] 6707 converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 6708 converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [3] 6709 converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK [4] 6710 [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] 6913 converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [2] 6914 converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK [3] 6916 converting btrans2.F to 32-bit integers for BLAS/LAPACK [4] 6917 [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] 7281 converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK [2] 7282 converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7283 converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [4] 7284 [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] 7499 converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7500 converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7501 converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [4] 7502 [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] 7945 converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [2] 7946 converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [3] 7947 converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 7948 [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] 7971 converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [2] 7972 converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK [3] 7973 converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 7974 [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] 8045 converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [2] 8046 converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [3] 8047 converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 8048 [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] 8259 converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK [2] 8261 converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [3] 8262 converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [4] 8263 [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] 8596 converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK [2] 8597 converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK [3] 8598 converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK [4] 8599 [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] 8680 converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 8681 converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK [3] 8682 converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK [4] 8683 [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] 9099 converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK [2] 9100 converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 9101 converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK [4] 9102 [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] 10131 converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 10132 converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK [3] 10134 converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK [4] 10135 [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] 10400 converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK [2] 10401 [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] 11457 converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK [2] 11458 converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK [3] 11459 converting cc2_t1.F to 32-bit integers for BLAS/LAPACK [4] 11460 [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] 11743 converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK [2] 11744 converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK [3] 11745 converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK [4] 11746 [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] 11776 converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK [2] 11777 converting icsd_t1.F to 32-bit integers for BLAS/LAPACK [3] 11778 converting icsd_t2.F to 32-bit integers for BLAS/LAPACK [4] 11779 [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] 12540 [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] 14138 converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK [2] 14139 converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK [3] 14140 converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK [4] 14141 [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] 15196 [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] 17433 converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK [2] 17434 converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK [3] 17435 converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK [4] 17436 [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] 19447 converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK [2] 19448 converting cc2_x1.F to 32-bit integers for BLAS/LAPACK [3] 19449 converting cc2_x2.F to 32-bit integers for BLAS/LAPACK [4] 19450 [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] 20490 converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK [2] 20491 converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK [3] 20492 converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK [4] 20493 [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] 21274 converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK [2] 21275 converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK [3] 21276 converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK [4] 21277 [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] 23966 [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] 30382 converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK [2] 30383 converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK [3] 30384 converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK [4] 30385 [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] 30442 converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK [2] 30443 converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK [3] 30444 converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK [4] 30445 [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] 31085 converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK [2] 31086 converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK [3] 31087 converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK [4] 31088 [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] 32475 converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK [2] 32476 converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK [3] 32477 converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK [4] 32478 [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] 32674 converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK [2] 32675 converting ccsd_t.F to 32-bit integers for BLAS/LAPACK [3] 32676 [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] 33533 converting c2_c2.F to 32-bit integers for BLAS/LAPACK [2] 33534 converting c2excit2.F to 32-bit integers for BLAS/LAPACK [3] 33535 converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 33536 [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] 33565 converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK [2] 33566 converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 33567 converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK [4] 33568 [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] 33570 converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 33571 converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 33572 converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK [4] 33573 [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] 33607 converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 33608 converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK [3] 33609 converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK [4] 33610 [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] 33637 converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK [2] 33638 converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK [3] 33639 converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK [4] 33640 [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] 33687 converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK [2] 33688 converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK [3] 33689 converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK [4] 33690 [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] 33714 converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK [2] 33715 converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK [3] 33716 converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 33717 [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] 33769 converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK [2] 33770 converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK [3] 33772 converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK [4] 33773 [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] 33817 converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 33818 converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK [3] 33819 converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK [4] 33820 [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] 33887 converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK [2] 33888 converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 33889 converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK [4] 33890 [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] 33975 converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK [2] 33976 converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK [3] 33977 converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 33978 [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] 34019 converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK [2] 34020 converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK [3] 34021 converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK [4] 34022 [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] 34062 converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK [2] 34063 converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK [3] 34064 converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK [4] 34065 [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] 34100 converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK [2] 34101 converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK [3] 34103 converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK [4] 34104 [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] 34140 converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK [2] 34141 converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK [3] 34143 converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK [4] 34144 [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] 34186 converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK [2] 34187 converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK [3] 34188 converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 34189 [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] 34280 converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK [2] 34281 converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK [3] 34282 converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK [4] 34283 [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] 34372 converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK [2] 34373 converting t2t12.F to 32-bit integers for BLAS/LAPACK [3] 34375 converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK [4] 34376 [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] 36364 converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK [2] 36365 converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK [3] 36366 converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK [4] 36367 [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] 36493 converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK [2] 36494 converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK [3] 36495 [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] 38742 converting c1v.F to 32-bit integers for BLAS/LAPACK [2] 38743 [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] 39847 converting ccd_t2.F to 32-bit integers for BLAS/LAPACK [2] 39848 [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] 41042 converting lccd_t2.F to 32-bit integers for BLAS/LAPACK [2] 41043 [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] 42124 converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK [2] 42125 converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK [3] 42126 [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] 43203 converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK [2] 43204 converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK [3] 43205 [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] 44452 converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK [2] 44453 converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK [3] 44454 converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK [4] 44455 [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] 45139 converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK [2] 45140 converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK [3] 45141 converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK [4] 45142 [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] 48440 converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK [2] 48441 [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] 49903 converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK [2] 49905 converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK [3] 49906 converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK [4] 49907 [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] 50428 converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK [2] 50429 converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK [3] 50430 converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK [4] 50431 [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] 52044 converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK [2] 52045 converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK [3] 52046 converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK [4] 52047 [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] 52535 [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] 54163 [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] 55324 converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK [2] 55325 [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] 56569 converting cisd_c2.F to 32-bit integers for BLAS/LAPACK [2] 56571 converting cisd_e.F to 32-bit integers for BLAS/LAPACK [3] 56572 [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] 58025 converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK [2] 58026 converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK [3] 58027 converting cisdt_e.F to 32-bit integers for BLAS/LAPACK [4] 58028 [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] 59310 converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK [2] 59311 converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK [3] 59312 converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK [4] 59313 [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] 59767 [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] 60781 converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK [2] 60782 converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK [3] 60783 converting diag1_act2.F to 32-bit integers for BLAS/LAPACK [4] 60784 [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] 62070 [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] 62928 converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK [2] 62929 converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK [3] 62930 [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] 4768 converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK [2] 4769 converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK [3] 4770 converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK [4] 4772 [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] 6493 converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK [2] 6494 converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK [3] 6495 converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK [4] 6496 [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] 8775 converting eaccsd_x2.F to 32-bit integers for BLAS/LAPACK [2] 8776 converting tce_print_eax1.F to 32-bit integers for BLAS/LAPACK [3] 8777 converting tce_print_eax2.F to 32-bit integers for BLAS/LAPACK [4] 8778 [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] 9685 converting tce_eax2_offset.F to 32-bit integers for BLAS/LAPACK [2] 9686 converting tce_eom_eaxguess.F to 32-bit integers for BLAS/LAPACK [3] 9687 converting tce_jacobi_eax1.F to 32-bit integers for BLAS/LAPACK [4] 9688 [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] 9722 [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] 10735 converting ipccsd_x2.F to 32-bit integers for BLAS/LAPACK [2] 10736 converting tce_print_ipx1.F to 32-bit integers for BLAS/LAPACK [3] 10737 converting tce_print_ipx2.F to 32-bit integers for BLAS/LAPACK [4] 10738 [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] 11565 converting tce_ipx2_offset.F to 32-bit integers for BLAS/LAPACK [2] 11566 converting tce_eom_ipxguess.F to 32-bit integers for BLAS/LAPACK [3] 11567 converting tce_jacobi_ipx1.F to 32-bit integers for BLAS/LAPACK [4] 11568 [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] 11574 [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] 12402 converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK [2] 12403 converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK [3] 12404 converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK [4] 12405 [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] 12714 converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 12715 converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 12716 converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK [4] 12717 [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] 14340 converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK [2] 14341 converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK [3] 14342 converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK [4] 14343 [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] 14380 converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK [2] 14381 converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK [3] 14382 converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK [4] 14383 [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] 14442 converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK [2] 14443 converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 14444 converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 14445 [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] 14511 converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK [2] 14512 converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK [3] 14513 converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK [4] 14514 [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] 14600 converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 14601 converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK [3] 14602 converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK [4] 14603 [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] 14660 converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK [2] 14661 converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK [3] 14662 converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK [4] 14663 [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] 14707 converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK [2] 14708 converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK [3] 14709 converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK [4] 14710 [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] 14758 converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK [2] 14759 converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK [3] 14760 converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK [4] 14761 [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] 14812 converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK [2] 14813 converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK [3] 14814 converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK [4] 14816 [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] 14834 converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK [2] 14835 converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK [3] 14836 converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK [4] 14837 [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] 14868 converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK [2] 14869 converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK [3] 14870 converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK [4] 14871 [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] 14904 converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK [2] 14905 converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK [3] 14906 converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 14907 [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] 14940 converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK [2] 14941 converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK [3] 14942 converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 14943 [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] 14960 converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK [2] 14961 converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK [3] 14962 converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK [4] 14964 [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] 14982 converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK [2] 14983 converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK [3] 14984 converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK [4] 14985 [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] 15010 converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK [2] 15011 converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK [3] 15012 converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK [4] 15013 [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] 15041 converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK [2] 15042 converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 15043 converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK [4] 15044 [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] 15068 converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK [2] 15069 converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK [3] 15070 converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK [4] 15071 [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] 15099 converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK [2] 15100 converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK [3] 15101 converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK [4] 15102 [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] 15136 converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK [2] 15138 converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK [3] 15139 converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK [4] 15140 [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] 15159 converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK [2] 15160 converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 15161 converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK [4] 15163 [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] 15186 converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK [2] 15187 converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK [3] 15188 converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK [4] 15189 [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] 15213 converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK [2] 15214 converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK [3] 15215 converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK [4] 15216 [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] 15240 converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK [2] 15241 converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK [3] 15242 converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK [4] 15243 [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] 15264 [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] 16261 converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK [2] 16262 converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK [3] 16263 converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK [4] 16264 [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] 16676 converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK [2] 16677 converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK [3] 16678 converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK [4] 16679 [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] 16708 converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK [2] 16710 converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK [3] 16711 converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK [4] 16712 [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] 16750 converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK [2] 16751 converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK [3] 16752 converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK [4] 16753 [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] 16794 converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK [2] 16795 converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK [3] 16796 converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK [4] 16797 [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] 16826 converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 16827 converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK [3] 16828 converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK [4] 16829 [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] 16882 converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK [2] 16883 converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK [3] 16884 converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK [4] 16885 [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] 16935 converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK [2] 16936 converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK [3] 16937 converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK [4] 16938 [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] 16963 converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK [2] 16964 converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK [3] 16966 converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK [4] 16967 [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] 16985 converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK [2] 16986 converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK [3] 16987 converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK [4] 16988 [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] 17018 converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK [2] 17019 converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK [3] 17020 converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK [4] 17021 [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] 17077 converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK [2] 17078 converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK [3] 17079 converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK [4] 17080 [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] 17128 converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK [2] 17129 converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK [3] 17130 converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK [4] 17131 [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] 17174 converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK [2] 17175 converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK [3] 17176 converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK [4] 17177 [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] 17225 converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK [2] 17226 converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK [3] 17227 converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK [4] 17228 [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] 17248 converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK [2] 17249 converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK [3] 17250 converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK [4] 17251 [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] 17276 converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK [2] 17277 converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK [3] 17278 converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 17279 [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] 17298 converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK [2] 17299 converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK [3] 17300 converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK [4] 17301 [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] 17338 converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK [2] 17339 converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK [3] 17340 converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK [4] 17341 [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] 17382 converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK [2] 17383 converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 17384 converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK [4] 17385 [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] 17419 converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK [2] 17420 converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK [3] 17421 converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 17422 [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] 17447 converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK [2] 17448 converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK [3] 17449 converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 17450 [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] 17494 converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK [2] 17495 converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK [3] 17496 converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK [4] 17497 [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] 17521 converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK [2] 17522 converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK [3] 17523 converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK [4] 17524 [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] 17549 converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK [2] 17550 converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK [3] 17551 converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK [4] 17552 [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] 17577 converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK [2] 17578 converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK [3] 17579 converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK [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_5_7.F to 32-bit integers for BLAS/LAPACK [1] 17597 converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK [2] 17598 converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK [3] 17599 converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 17600 [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] 17643 converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK [2] 17644 converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK [3] 17645 converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 17646 [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] 17672 converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK [2] 17673 converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK [3] 17674 converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK [4] 17675 [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] 17697 converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK [2] 17698 converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK [3] 17699 converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK [4] 17700 [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] 17724 converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK [2] 17725 converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK [3] 17726 converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK [4] 17727 [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] 17775 converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK [2] 17776 converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK [3] 17777 converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK [4] 17778 [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] 17807 converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK [2] 17808 converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK [3] 17809 converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK [4] 17810 [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] 17833 converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK [2] 17834 converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK [3] 17836 converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK [4] 17837 [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] 17858 converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 17859 converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 17860 converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK [4] 17861 [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] 17887 converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK [2] 17888 converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK [3] 17889 converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK [4] 17890 [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] 17915 converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK [2] 17916 converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK [3] 17917 converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK [4] 17919 [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] 17945 converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK [2] 17946 converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK [3] 17947 converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK [4] 17948 [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] 17965 converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK [2] 17966 converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK [3] 17968 converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK [4] 17970 [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] 17987 converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK [2] 17988 converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK [3] 17989 converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK [4] 17990 [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] 18011 converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK [2] 18012 converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK [3] 18013 converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK [4] 18015 [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] 18039 converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK [2] 18040 converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK [3] 18041 converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK [4] 18042 [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] 18066 converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK [2] 18067 converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK [3] 18068 converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK [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_9_5_2.F to 32-bit integers for BLAS/LAPACK [1] 18121 converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK [2] 18122 converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK [3] 18123 converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK [4] 18124 [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] 18164 converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 18165 converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK [3] 18166 converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK [4] 18167 [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] 18191 converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK [2] 18192 converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK [3] 18193 converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK [4] 18194 [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] 18216 converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK [2] 18217 converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK [3] 18218 converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK [4] 18219 [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] 18251 converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK [2] 18252 converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK [3] 18253 converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK [4] 18254 [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] 18285 converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK [2] 18286 converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK [3] 18287 converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK [4] 18288 [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] 18353 converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK [2] 18354 converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK [3] 18355 converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK [4] 18356 [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] 18420 converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK [2] 18421 converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK [3] 18422 converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK [4] 18423 [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] 18515 converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK [2] 18516 converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK [3] 18517 converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK [4] 18518 [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] 18564 converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK [2] 18565 converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK [3] 18566 converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK [4] 18567 [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] 18733 converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK [2] 18734 converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK [3] 18735 converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK [4] 18737 [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] 18809 converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK [2] 18810 converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK [3] 18811 converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK [4] 18812 [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] 18851 converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK [2] 18852 converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK [3] 18853 converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK [4] 18854 [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] 18883 converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK [2] 18884 converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK [3] 18885 converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK [4] 18886 [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] 18943 converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK [2] 18945 converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK [3] 18946 converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK [4] 18947 [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] 19101 converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK [2] 19102 converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK [3] 19103 converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK [4] 19104 [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] 19150 converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK [2] 19151 converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK [3] 19152 converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK [4] 19153 [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] 19193 converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK [2] 19194 converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK [3] 19195 converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK [4] 19196 [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] 19225 converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 19226 converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK [3] 19227 converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK [4] 19228 [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] 19296 converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK [2] 19297 converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK [3] 19298 converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK [4] 19299 [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] 19345 converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK [2] 19346 converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK [3] 19347 converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK [4] 19348 [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] 19446 converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK [2] 19447 converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK [3] 19448 converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK [4] 19449 [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] 19483 converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK [2] 19485 converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 19486 converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK [4] 19487 [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] 19549 converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK [2] 19550 converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK [3] 19551 converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 19552 [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] 19657 converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK [2] 19658 converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK [3] 19659 converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK [4] 19660 [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] 19714 converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK [2] 19715 converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK [3] 19716 converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK [4] 19718 [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] 19756 converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 19758 converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK [3] 19759 converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK [4] 19760 [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] 19797 converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK [2] 19798 converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK [3] 19799 converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK [4] 19800 [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] 19864 converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK [2] 19865 converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK [3] 19866 converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK [4] 19867 [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] 19904 [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] 22047 converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 22048 converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK [3] 22049 converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK [4] 22050 [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] 22053 converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 22054 converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK [3] 22055 converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK [4] 22056 [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] 22057 converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 22058 converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 22059 converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK [4] 22060 [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] 22082 converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK [2] 22083 converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK [3] 22084 converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK [4] 22085 [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] 22091 converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK [2] 22092 converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK [3] 22093 converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK [4] 22094 [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] 22095 converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK [2] 22096 converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 22097 converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK [4] 22098 [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] 22100 converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK [2] 22101 converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK [3] 22102 converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK [4] 22103 [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] 22105 converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK [2] 22106 converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK [3] 22107 converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK [4] 22108 [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] 22109 converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK [2] 22110 converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK [3] 22111 converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK [4] 22112 [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] 22133 converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK [2] 22134 converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK [3] 22135 converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK [4] 22136 [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] 22140 converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK [2] 22141 converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK [3] 22142 converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK [4] 22143 [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] 22147 converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK [2] 22148 converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK [3] 22149 converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK [4] 22150 [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] 22157 converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK [2] 22158 converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK [3] 22159 converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK [4] 22160 [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] 22192 converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK [2] 22193 converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK [3] 22194 converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK [4] 22195 [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] 22214 converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK [2] 22215 converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK [3] 22216 converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK [4] 22217 [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] 22228 converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK [2] 22229 converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK [3] 22230 converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK [4] 22231 [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] 22270 converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK [2] 22271 converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK [3] 22272 converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK [4] 22273 [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] 22311 converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK [2] 22312 converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK [3] 22313 converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK [4] 22314 [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] 22346 converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK [2] 22347 converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK [3] 22348 converting eomccsdt_density1_5.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 eomccsdt_density1_6_1.F to 32-bit integers for BLAS/LAPACK [1] 22361 converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK [2] 22362 converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK [3] 22363 converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK [4] 22364 [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] 22382 converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 22383 converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK [3] 22384 converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK [4] 22385 [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] 22386 converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK [2] 22387 converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK [3] 22388 converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK [4] 22389 [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] 22942 converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK [2] 22944 converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK [3] 22945 converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK [4] 22946 [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] 24024 converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK [2] 24025 converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK [3] 24026 converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK [4] 24027 [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] 24761 converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK [2] 24763 converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK [3] 24764 converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK [4] 24765 [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] 25163 converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK [2] 25164 converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK [3] 25165 converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK [4] 25166 [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] 25625 converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK [2] 25626 converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK [3] 25627 converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK [4] 25628 [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] 26988 converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK [2] 26989 converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK [3] 26990 converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK [4] 26991 [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] 27435 converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK [2] 27436 converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK [3] 27437 converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK [4] 27438 [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] 28378 converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK [2] 28379 converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK [3] 28380 converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK [4] 28381 [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] 28937 converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK [2] 28938 converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK [3] 28939 converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK [4] 28940 [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] 29515 converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK [2] 29516 converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK [3] 29517 converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK [4] 29518 [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] 30237 converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK [2] 30238 [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] 32515 converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK [2] 32516 converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 32517 converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK [4] 32518 [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] 32533 converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 32534 converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK [3] 32535 converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK [4] 32536 [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] 32557 converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK [2] 32558 converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK [3] 32559 converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK [4] 32560 [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] 32598 converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 32599 converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 32600 converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK [4] 32601 [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] 32617 converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK [2] 32618 converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 32619 converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK [4] 32620 [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] 32636 converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK [2] 32637 converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK [3] 32638 converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 32640 [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] 32649 converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK [2] 32650 converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK [3] 32651 converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK [4] 32652 [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] 32675 converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK [2] 32676 converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 32677 converting alpha_2_2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 32678 [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] 32693 converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK [2] 32694 converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK [3] 32695 converting alpha_2_3_1_2.F to 32-bit integers for BLAS/LAPACK [4] 32696 [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] 32718 converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK [2] 32719 converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 32720 converting alpha_2_3_1_4.F to 32-bit integers for BLAS/LAPACK [4] 32721 [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] 32754 converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 32755 converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK [3] 32756 converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK [4] 32757 [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] 32778 converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK [2] 32779 converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK [3] 32781 converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK [4] 32782 [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] 32804 converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK [2] 32805 converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK [3] 32806 converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK [4] 32807 [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] 32825 converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK [2] 32826 converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK [3] 32827 converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK [4] 32828 [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] 32854 converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK [2] 32855 converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK [3] 32856 converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK [4] 32858 [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] 32874 converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK [2] 32875 converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK [3] 32876 converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK [4] 32877 [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] 32897 converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK [2] 32898 converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 32899 converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK [4] 32900 [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] 32917 converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK [2] 32918 converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK [3] 32919 converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK [4] 32920 [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] 32965 converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK [2] 32966 converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK [3] 32967 converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK [4] 32968 [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] 32987 converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK [2] 32988 converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK [3] 32989 converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK [4] 32990 [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] 33021 converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK [2] 33022 converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK [3] 33023 converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 33024 [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] 33040 converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK [2] 33041 converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK [3] 33042 converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK [4] 33043 [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] 33062 converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK [2] 33063 converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK [3] 33064 converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK [4] 33065 [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] 33080 converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK [2] 33081 converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK [3] 33082 converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK [4] 33083 [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] 33102 converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK [2] 33103 converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK [3] 33104 converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK [4] 33105 [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] 33154 converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK [2] 33156 converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK [3] 33157 converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK [4] 33158 [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] 33179 converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK [2] 33180 converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK [3] 33181 converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK [4] 33182 [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] 33199 converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK [2] 33201 converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK [3] 33202 converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK [4] 33203 [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] 33226 converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK [2] 33227 converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK [3] 33228 converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK [4] 33229 [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] 33250 converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK [2] 33251 converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK [3] 33252 converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK [4] 33253 [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] 33272 converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK [2] 33273 converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK [3] 33274 converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK [4] 33275 [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] 33294 converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK [2] 33296 converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK [3] 33297 converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK [4] 33298 [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] 33318 converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 33319 converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK [3] 33320 converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK [4] 33322 [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] 33350 converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 33351 converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK [3] 33352 converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK [4] 33353 [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] 33381 converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK [2] 33382 converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK [3] 33384 converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK [4] 33385 [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] 33421 converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 33422 converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK [3] 33423 converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK [4] 33424 [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] 33444 converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK [2] 33445 converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK [3] 33446 converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK [4] 33447 [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] 33468 converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK [2] 33469 converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK [3] 33470 converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK [4] 33471 [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] 33488 converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK [2] 33489 converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK [3] 33490 converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK [4] 33491 [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] 33509 converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK [2] 33510 converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 33511 converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 33512 [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] 33530 converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK [2] 33531 converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK [3] 33532 converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK [4] 33533 [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] 33564 converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 33565 converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK [3] 33566 converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK [4] 33567 [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] 33584 converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK [2] 33585 converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 33586 converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK [4] 33587 [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] 33617 converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK [2] 33618 converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 33619 converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK [4] 33620 [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] 33644 converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK [2] 33645 converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK [3] 33646 converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 33647 [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] 33674 converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 33675 converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK [3] 33676 converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK [4] 33677 [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] 33694 converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 33695 converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK [3] 33696 converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK [4] 33697 [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] 33721 converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK [2] 33722 converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK [3] 33723 converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 33724 [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] 33767 converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK [2] 33768 converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK [3] 33769 converting alpha_2.F to 32-bit integers for BLAS/LAPACK [4] 33770 [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] 33864 converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK [2] 33866 converting dip_r_1.F to 32-bit integers for BLAS/LAPACK [3] 33867 converting dip_r_2.F to 32-bit integers for BLAS/LAPACK [4] 33868 [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] 33900 [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] 34923 converting beta_2_all.F to 32-bit integers for BLAS/LAPACK [2] 34924 converting beta_3_all.F to 32-bit integers for BLAS/LAPACK [3] 34925 converting beta_4_all.F to 32-bit integers for BLAS/LAPACK [4] 34926 [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] 37237 converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 37238 converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 37239 converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK [4] 37240 [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] 37243 converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK [2] 37244 converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK [3] 37245 converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK [4] 37246 [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] 37250 converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK [2] 37251 converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK [3] 37252 converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK [4] 37253 [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] 37254 converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK [2] 37255 converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK [3] 37256 converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK [4] 37257 [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] 37264 converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK [2] 37265 converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK [3] 37266 converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 37267 [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] 37268 converting beta_3_5.F to 32-bit integers for BLAS/LAPACK [2] 37269 converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 37270 converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK [4] 37271 [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] 37273 converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK [2] 37274 converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK [3] 37275 converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK [4] 37276 [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] 37277 converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK [2] 37278 converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK [3] 37279 converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK [4] 37280 [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] 37285 converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 37286 converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK [3] 37287 converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK [4] 37288 [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] 37307 converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK [2] 37308 converting beta_4_4.F to 32-bit integers for BLAS/LAPACK [3] 37309 converting beta_3_6.F to 32-bit integers for BLAS/LAPACK [4] 37310 [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] 37313 converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 37314 converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 37315 converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK [4] 37316 [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] 37318 converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK [2] 37319 converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK [3] 37320 converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK [4] 37321 [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] 37350 converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK [2] 37351 converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 37352 converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 37353 [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] 37383 converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK [2] 37384 converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK [3] 37385 converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK [4] 37386 [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] 37434 converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK [2] 37435 converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK [3] 37436 converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK [4] 37437 [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] 37468 converting beta_3_7.F to 32-bit integers for BLAS/LAPACK [2] 37469 converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 37470 converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 37471 [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] 37505 converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 37506 converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK [3] 37507 converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK [4] 37509 [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] 37566 converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK [2] 37567 converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK [3] 37568 converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK [4] 37569 [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] 37621 converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK [2] 37622 converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK [3] 37623 converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK [4] 37624 [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] 37673 converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK [2] 37674 converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK [3] 37675 converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 37676 [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] 37762 converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 37763 converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK [3] 37764 converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK [4] 37765 [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] 37808 converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK [2] 37809 converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK [3] 37810 converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK [4] 37811 [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] 37857 converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK [2] 37858 converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK [3] 37859 converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK [4] 37860 [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] 37900 converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK [2] 37901 converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK [3] 37902 converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK [4] 37903 [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] 37955 converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 37957 converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK [3] 37958 converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK [4] 37959 [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] 38000 converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK [2] 38001 converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK [3] 38002 converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK [4] 38003 [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] 38046 converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK [2] 38047 converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK [3] 38048 converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK [4] 38049 [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] 38101 converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK [2] 38102 converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK [3] 38103 converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK [4] 38104 [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] 38146 converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK [2] 38147 converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK [3] 38150 converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK [4] 38151 [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] 38188 converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 38189 converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK [3] 38190 converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK [4] 38191 [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] 38251 converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK [2] 38252 converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK [3] 38253 converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 38254 [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] 38295 converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK [2] 38296 converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK [3] 38298 converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK [4] 38299 [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] 38341 converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK [2] 38342 converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK [3] 38343 converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK [4] 38345 [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] 38390 converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK [2] 38391 converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 38392 converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 38393 [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] 38439 converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK [2] 38440 converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK [3] 38441 converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 38442 [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] 38487 converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 38488 converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK [3] 38489 converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK [4] 38490 [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] 38531 converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK [2] 38532 converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK [3] 38533 converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK [4] 38534 [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] 38573 converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK [2] 38574 converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK [3] 38575 converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK [4] 38576 [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] 38633 converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK [2] 38634 converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK [3] 38635 converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK [4] 38636 [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] 38679 converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK [2] 38680 converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK [3] 38681 converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK [4] 38682 [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] 38743 converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 38744 converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK [3] 38745 converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [4] 38746 [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] 38784 converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK [2] 38786 converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK [3] 38788 converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK [4] 38789 [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] 38825 converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK [2] 38826 converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK [3] 38827 converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK [4] 38828 [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] 38887 converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK [2] 38888 converting beta_1_1.F to 32-bit integers for BLAS/LAPACK [3] 38889 converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK [4] 38890 [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] 38921 converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 38922 converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK [3] 38924 converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 38925 [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] 38966 converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK [2] 38968 converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK [3] 38969 converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK [4] 38970 [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] 39011 converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK [2] 39012 converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK [3] 39013 converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK [4] 39014 [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] 39054 converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK [2] 39055 converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK [3] 39056 converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK [4] 39057 [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] 39100 converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK [2] 39101 converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK [3] 39102 converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK [4] 39103 [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] 39148 converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK [2] 39149 converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 39150 converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK [4] 39151 [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] 39204 converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK [2] 39205 converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 39206 converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK [4] 39207 [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] 39253 converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK [2] 39254 converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK [3] 39255 converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK [4] 39256 [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] 39329 converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 39330 converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK [3] 39331 converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK [4] 39332 [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] 39377 converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK [2] 39378 converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK [3] 39379 converting beta_2_1.F to 32-bit integers for BLAS/LAPACK [4] 39380 [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] 39431 converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK [2] 39432 converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK [3] 39433 converting beta_3_6_4_2_1.F to 32-bit integers for BLAS/LAPACK [4] 39434 [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] 39475 converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK [2] 39476 converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK [3] 39477 converting beta_3_6_1_1.F to 32-bit integers for BLAS/LAPACK [4] 39478 [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] 39521 converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK [2] 39522 converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK [3] 39523 converting beta_3_4_10_6_1.F to 32-bit integers for BLAS/LAPACK [4] 39524 [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] 39570 converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK [2] 39571 converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK [3] 39572 converting beta_3_7_4.F to 32-bit integers for BLAS/LAPACK [4] 39573 [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] 39617 converting beta_1_4.F to 32-bit integers for BLAS/LAPACK [2] 39619 converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK [3] 39620 converting beta_1_3_1_2_1.F to 32-bit integers for BLAS/LAPACK [4] 39621 [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] 39686 converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 39687 converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK [3] 39688 converting beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK [4] 39689 [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] 39709 converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK [2] 39710 converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK [3] 39712 converting beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK [4] 39713 [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] 39738 converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK [2] 39739 converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK [3] 39740 converting beta_3_7_8_1.F to 32-bit integers for BLAS/LAPACK [4] 39741 [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] 39763 converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 39765 converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK [3] 39766 converting beta_2_1_4.F to 32-bit integers for BLAS/LAPACK [4] 39767 [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] 39781 converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK [2] 39782 converting beta_3_1.F to 32-bit integers for BLAS/LAPACK [3] 39783 converting beta_3_4_11.F to 32-bit integers for BLAS/LAPACK [4] 39785 [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] 39802 converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK [2] 39803 converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 39804 converting beta_1_4_1_1.F to 32-bit integers for BLAS/LAPACK [4] 39805 [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] 39820 converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK [2] 39821 converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK [3] 39822 converting beta_3_4_14_1_1.F to 32-bit integers for BLAS/LAPACK [4] 39823 [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] 39850 converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK [2] 39851 converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK [3] 39852 converting beta_3_1_2.F to 32-bit integers for BLAS/LAPACK [4] 39853 [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] 39906 converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK [2] 39907 converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK [3] 39908 converting beta_3_2.F to 32-bit integers for BLAS/LAPACK [4] 39909 [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] 39925 converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK [2] 39926 converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK [3] 39927 converting beta_1_3_1_3_1.F to 32-bit integers for BLAS/LAPACK [4] 39928 [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] 39947 converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK [2] 39948 converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK [3] 39949 converting beta_1_4_1_2.F to 32-bit integers for BLAS/LAPACK [4] 39950 [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] 39966 converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK [2] 39967 converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK [3] 39968 converting beta_3_7_1_1.F to 32-bit integers for BLAS/LAPACK [4] 39969 [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] 39990 converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK [2] 39992 converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK [3] 39993 converting beta_3_1_3.F to 32-bit integers for BLAS/LAPACK [4] 39994 [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] 40013 converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK [2] 40014 converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK [3] 40015 converting beta_3_7_7.F to 32-bit integers for BLAS/LAPACK [4] 40016 [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] 40034 converting beta_3_3.F to 32-bit integers for BLAS/LAPACK [2] 40035 converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK [3] 40036 converting beta_1_3_1_8_1_1.F to 32-bit integers for BLAS/LAPACK [4] 40038 [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] 40056 converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK [2] 40057 converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK [3] 40058 converting beta_3_7_4_2_1.F to 32-bit integers for BLAS/LAPACK [4] 40059 [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] 40077 converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK [2] 40078 converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK [3] 40079 converting beta_1_4_1_3.F to 32-bit integers for BLAS/LAPACK [4] 40080 [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] 40124 converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK [2] 40125 converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK [3] 40126 converting beta_3_4_6_1.F to 32-bit integers for BLAS/LAPACK [4] 40127 [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] 40157 converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK [2] 40158 converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK [3] 40159 converting beta_3_2_2.F to 32-bit integers for BLAS/LAPACK [4] 40160 [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] 40179 converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK [2] 40180 converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK [3] 40181 converting beta_1_3_6.F to 32-bit integers for BLAS/LAPACK [4] 40182 [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] 40202 converting beta_4_2.F to 32-bit integers for BLAS/LAPACK [2] 40203 converting beta_3_4.F to 32-bit integers for BLAS/LAPACK [3] 40204 converting beta_3_4_14.F to 32-bit integers for BLAS/LAPACK [4] 40205 [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] 41200 converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK [2] 41201 converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK [3] 41202 converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK [4] 41203 [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] 42459 converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK [2] 42460 converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK [3] 42461 converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK [4] 42462 [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] 45100 converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK [2] 45101 converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK [3] 45102 [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] 46129 converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK [2] 46130 converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK [3] 46131 converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK [4] 46132 [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] 46185 converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK [2] 46186 converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK [3] 46187 converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK [4] 46188 [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] 46425 converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK [2] 46426 converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK [3] 46427 [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] 48222 converting tce_mrcc_readref.F to 32-bit integers for BLAS/LAPACK [2] 48224 converting tce_mrcc_calcexcit.F to 32-bit integers for BLAS/LAPACK [3] 48225 converting tce_mrcc_sortint.F to 32-bit integers for BLAS/LAPACK [4] 48226 [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] 49142 converting tce_mrcc_macpy.F to 32-bit integers for BLAS/LAPACK [2] 49144 converting tce_mrcc_fillindexarray.F to 32-bit integers for BLAS/LAPACK [3] 49145 converting tce_mrcc_uhf.F to 32-bit integers for BLAS/LAPACK [4] 49146 [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] 49393 converting pgcreatefile.F to 32-bit integers for BLAS/LAPACK [2] 49395 converting tce_mrcc_mo2e.F to 32-bit integers for BLAS/LAPACK [3] 49396 converting tce_mrcc_ao2e.F to 32-bit integers for BLAS/LAPACK [4] 49397 [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] 49458 converting tce_mrcc_sublock.F to 32-bit integers for BLAS/LAPACK [2] 49459 converting eaf_mrcc.F to 32-bit integers for BLAS/LAPACK [3] 49460 converting tce_t3ac_offset.F to 32-bit integers for BLAS/LAPACK [4] 49461 Could not open file: tce_mrcc_sublock.F.49459 [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] 49491 converting tce_mrcc_refs_sym.F to 32-bit integers for BLAS/LAPACK [2] 49492 converting tce_mrcc_force_orben.F to 32-bit integers for BLAS/LAPACK [3] 49493 converting tce_mrcc_diis_init.F to 32-bit integers for BLAS/LAPACK [4] 49494 [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] 49525 converting tce_mrcc_diis.F to 32-bit integers for BLAS/LAPACK [2] 49526 converting tce_mrcc_jacobi_t1.F to 32-bit integers for BLAS/LAPACK [3] 49527 converting tce_mrcc_jacobi_t2.F to 32-bit integers for BLAS/LAPACK [4] 49528 [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] 49814 converting tce_mrcc_daxfile.F to 32-bit integers for BLAS/LAPACK [2] 49815 converting tce_mrcc_diis_tidy.F to 32-bit integers for BLAS/LAPACK [3] 49816 converting tce_jacobi_sub_t1.F to 32-bit integers for BLAS/LAPACK [4] 49817 [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] 49850 converting tce_mrcc_c1.F to 32-bit integers for BLAS/LAPACK [2] 49851 converting tce_mrcc_c1_offset.F to 32-bit integers for BLAS/LAPACK [3] 49852 converting tce_mrcc_c2.F to 32-bit integers for BLAS/LAPACK [4] 49853 [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] 49895 converting tce_mrcc_mul_1.F to 32-bit integers for BLAS/LAPACK [2] 49896 converting tce_mrcc_mul_2.F to 32-bit integers for BLAS/LAPACK [3] 49897 converting tce_mrcc_diis_save.F to 32-bit integers for BLAS/LAPACK [4] 49898 [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] 50003 converting tce_mrcc_create_cas1.F to 32-bit integers for BLAS/LAPACK [2] 50004 converting new_ga4ind_N5uhf_mrcc_lm2.F to 32-bit integers for BLAS/LAPACK [3] 50005 [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] 52240 converting mr_ccsd_t1.F to 32-bit integers for BLAS/LAPACK [2] 52241 converting mr_ccsd_t2.F to 32-bit integers for BLAS/LAPACK [3] 52242 converting mr_ccsd_dcl.F to 32-bit integers for BLAS/LAPACK [4] 52243 [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] 54218 converting T2_C2.F to 32-bit integers for BLAS/LAPACK [2] 54219 converting T2_pg_C2_1.F to 32-bit integers for BLAS/LAPACK [3] 54220 converting T2_pg_C2.F to 32-bit integers for BLAS/LAPACK [4] 54221 [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] 55557 converting ccsd_st2.F to 32-bit integers for BLAS/LAPACK [2] 55558 converting ccsd_se.F to 32-bit integers for BLAS/LAPACK [3] 55559 converting ccsd_dcl_sub.F to 32-bit integers for BLAS/LAPACK [4] 55560 [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] 60403 converting tce_mrcc_q3vnt2.F to 32-bit integers for BLAS/LAPACK [2] 60404 converting tce_mrcc_q3fnt2.F to 32-bit integers for BLAS/LAPACK [3] 60405 converting tce_mrcc_ccsdpt.F to 32-bit integers for BLAS/LAPACK [4] 60407 [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] 60472 converting tce_mrcc_q3vnt1_subg.F to 32-bit integers for BLAS/LAPACK [2] 60474 converting tce_mrcc_q3fnt2_subg.F to 32-bit integers for BLAS/LAPACK [3] 60475 [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] 61673 converting tce_uss_offdiagonal_2.F to 32-bit integers for BLAS/LAPACK [2] 61674 converting tce_uss_offdiagonal_3.F to 32-bit integers for BLAS/LAPACK [3] 61675 converting tce_uss_offdiagonal_4.F to 32-bit integers for BLAS/LAPACK [4] 61676 [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] 61765 converting ccsd_r4.F to 32-bit integers for BLAS/LAPACK [2] 61766 converting tce_uss_aux.F to 32-bit integers for BLAS/LAPACK [3] 61768 converting tce_uss_T1_R1.F to 32-bit integers for BLAS/LAPACK [4] 61769 [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] 61990 [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] 63105 [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] 64182 [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] 3158 [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] 8718 converting dimqm_main.F to 32-bit integers for BLAS/LAPACK [2] 8719 [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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found /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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found 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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found 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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found 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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found 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] 62792 converting bas_blasP.F back to 8-byte integer blas calls [2] 62793 converting basis.F back to 8-byte integer blas calls [3] 62794 [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] 450 converting geom_input.F back to 8-byte integer blas calls [2] 451 converting geom_print_ecce.F back to 8-byte integer blas calls [3] 452 converting geom_hnd.F back to 8-byte integer blas calls [4] 453 [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] 5892 converting geom_getsym.F back to 8-byte integer blas calls [2] 5894 converting geom_2d.F back to 8-byte integer blas calls [3] 5895 [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] 9144 converting task_bsse.F back to 8-byte integer blas calls [2] 9145 [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] 10026 converting sym_g_sym.F back to 8-byte integer blas calls [2] 10027 converting sym_geom_prj.F back to 8-byte integer blas calls [3] 10028 converting sym_mo_adapt.F back to 8-byte integer blas calls [4] 10029 [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] 10044 converting sym_op_mtab.F back to 8-byte integer blas calls [2] 10045 converting sym_put_geom.F back to 8-byte integer blas calls [3] 10046 converting dosymops.F back to 8-byte integer blas calls [4] 10047 [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] 10125 converting sym_bs_ir_id.F back to 8-byte integer blas calls [2] 10126 [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] 11599 converting ga_it_lsolve.F back to 8-byte integer blas calls [2] 11600 converting ga_maxelt.F back to 8-byte integer blas calls [3] 11601 converting ga_mix.F back to 8-byte integer blas calls [4] 11602 [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] 11649 converting ga_orthog.F back to 8-byte integer blas calls [2] 11650 converting dabsmax.F back to 8-byte integer blas calls [3] 11651 converting ga_normf.F back to 8-byte integer blas calls [4] 11652 [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] 11741 converting ga_it2.F back to 8-byte integer blas calls [2] 11742 converting ga_lkain_ext.F back to 8-byte integer blas calls [3] 11743 converting util_file_name.F back to 8-byte integer blas calls [4] 11744 [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] 12239 converting util_patch_test.F back to 8-byte integer blas calls [2] 12241 converting stpr_sjacobi.F back to 8-byte integer blas calls [3] 12242 converting util_dgeev.F back to 8-byte integer blas calls [4] 12243 [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] 12444 converting dfill.F back to 8-byte integer blas calls [2] 12445 converting ga_lkain_2cpl3_ext.F back to 8-byte integer blas calls [3] 12446 converting ga_it2.F back to 8-byte integer blas calls [4] 12447 [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] 23401 converting chol_bcst.c back to 8-byte integer blas calls [2] 23402 converting choleski9.c back to 8-byte integer blas calls [3] 23403 converting ci_entry.c back to 8-byte integer blas calls [4] 23404 [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] 23911 converting clustrf4.c back to 8-byte integer blas calls [2] 23912 converting clustrf5.c back to 8-byte integer blas calls [3] 23913 converting clustrfix.c back to 8-byte integer blas calls [4] 23914 [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] 24395 converting clustrxx30.c back to 8-byte integer blas calls [2] 24397 converting clustrxx31.c back to 8-byte integer blas calls [3] 24398 converting clustrxx33.c back to 8-byte integer blas calls [4] 24399 [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] 25057 converting clustrxx5.c back to 8-byte integer blas calls [2] 25058 converting clustrxx99.c back to 8-byte integer blas calls [3] 25059 converting conjug22.c back to 8-byte integer blas calls [4] 25060 [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] 25178 converting exit.c back to 8-byte integer blas calls [2] 25179 converting exit2.c back to 8-byte integer blas calls [3] 25180 converting forLL.c back to 8-byte integer blas calls [4] 25181 [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] 25269 converting gmax.c back to 8-byte integer blas calls [2] 25270 converting inv_it3.c back to 8-byte integer blas calls [3] 25271 converting inv_it4.c back to 8-byte integer blas calls [4] 25272 [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] 25319 converting inv_it5.c back to 8-byte integer blas calls [2] 25320 converting inv_it6.c back to 8-byte integer blas calls [3] 25321 converting inverse.c back to 8-byte integer blas calls [4] 25322 [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] 25379 converting mapchk.c back to 8-byte integer blas calls [2] 25380 converting mapdif.c back to 8-byte integer blas calls [3] 25381 converting mapdif1.c back to 8-byte integer blas calls [4] 25382 [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] 25439 converting mdif2b.c back to 8-byte integer blas calls [2] 25440 converting mdiff1.c back to 8-byte integer blas calls [3] 25441 converting mdiff2.c back to 8-byte integer blas calls [4] 25442 [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] 25478 converting memreq2.c back to 8-byte integer blas calls [2] 25479 converting memreq_eval.c back to 8-byte integer blas calls [3] 25481 converting memreq_f.c back to 8-byte integer blas calls [4] 25482 [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] 25619 converting mgs5.c back to 8-byte integer blas calls [2] 25620 converting mgscs.c back to 8-byte integer blas calls [3] 25621 converting mxm25.c back to 8-byte integer blas calls [4] 25622 [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] 25789 converting mxm88.c back to 8-byte integer blas calls [2] 25790 converting mxm_ll1.c back to 8-byte integer blas calls [3] 25791 converting onenorm.c back to 8-byte integer blas calls [4] 25792 [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] 26200 converting ortho2.c back to 8-byte integer blas calls [2] 26202 converting pdcomplex.c back to 8-byte integer blas calls [3] 26203 converting pdiff.c back to 8-byte integer blas calls [4] 26205 [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] 26633 converting pdspeval.c back to 8-byte integer blas calls [2] 26634 converting pdspevx.c back to 8-byte integer blas calls [3] 26636 converting pdspgv_c.c back to 8-byte integer blas calls [4] 26637 [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] 27965 converting pdsptri.c back to 8-byte integer blas calls [2] 27966 converting pdsptri2.c back to 8-byte integer blas calls [3] 27968 converting peigs_dlasq1.c back to 8-byte integer blas calls [4] 27969 [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] 29016 converting pgexit.c back to 8-byte integer blas calls [2] 29018 converting pipe_fut.c back to 8-byte integer blas calls [3] 29019 converting pmmLSL.c back to 8-byte integer blas calls [4] 29020 [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] 29281 converting pmmlsl2.c back to 8-byte integer blas calls [2] 29282 converting pscale.c back to 8-byte integer blas calls [3] 29284 converting pstebz10.c back to 8-byte integer blas calls [4] 29285 [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] 30159 converting pstebz9.c back to 8-byte integer blas calls [2] 30160 converting pstein3.c back to 8-byte integer blas calls [3] 30161 converting pstein4.c back to 8-byte integer blas calls [4] 30162 [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] 30824 converting pstein5.c back to 8-byte integer blas calls [2] 30825 converting pxerbla.c back to 8-byte integer blas calls [3] 30826 converting qsort.c back to 8-byte integer blas calls [4] 30827 [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] 31021 converting reducemap.c back to 8-byte integer blas calls [2] 31023 converting resid.c back to 8-byte integer blas calls [3] 31024 converting residual.c back to 8-byte integer blas calls [4] 31025 [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] 31163 converting shellsort.c back to 8-byte integer blas calls [2] 31164 converting soluf.c back to 8-byte integer blas calls [3] 31165 converting sonenorm.c back to 8-byte integer blas calls [4] 31166 [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] 31230 converting sort.c back to 8-byte integer blas calls [2] 31232 converting sorteig.c back to 8-byte integer blas calls [3] 31233 converting tred22.c back to 8-byte integer blas calls [4] 31234 [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] 31548 converting tresid.c back to 8-byte integer blas calls [2] 31549 converting util.c back to 8-byte integer blas calls [3] 31550 converting xerbla.c back to 8-byte integer blas calls [4] 31551 [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] 31771 converting gdot.F back to 8-byte integer blas calls [2] 31772 [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] 35712 converting inverm.F back to 8-byte integer blas calls [2] 35713 converting dgetavec.F back to 8-byte integer blas calls [3] 35714 converting dgetavec2.f back to 8-byte integer blas calls [4] 35715 [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] 36210 converting dgetavec4.F back to 8-byte integer blas calls [2] 36211 converting dptsvx2.f back to 8-byte integer blas calls [3] 36212 converting dspevx2.F back to 8-byte integer blas calls [4] 36214 [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] 39993 converting mxbrod.F back to 8-byte integer blas calls [2] 39994 converting mxcombv1.F back to 8-byte integer blas calls [3] 39995 converting mxsubs.F back to 8-byte integer blas calls [4] 39997 [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] 40411 converting sum.F back to 8-byte integer blas calls [2] 40414 [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] 45363 converting choleski_f.c back to 8-byte integer blas calls [2] 45365 converting inverse_f.c back to 8-byte integer blas calls [3] 45367 converting mxm25_f.c back to 8-byte integer blas calls [4] 45368 [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] 45705 converting mxm88_f.c back to 8-byte integer blas calls [2] 45707 converting onenorm_f.c back to 8-byte integer blas calls [3] 45708 converting ortho_f.c back to 8-byte integer blas calls [4] 45709 [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] 45912 converting pdspevx_f.c back to 8-byte integer blas calls [2] 45913 converting pdspgv_f.c back to 8-byte integer blas calls [3] 45916 converting pdspgvx_f.c back to 8-byte integer blas calls [4] 45919 [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] 46421 converting resid_f.c back to 8-byte integer blas calls [2] 46422 converting residual_f.c back to 8-byte integer blas calls [3] 46424 converting sonenorm_f.c back to 8-byte integer blas calls [4] 46425 [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] 46598 [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] 50797 [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] 56472 converting int_hf1sp.F back to 8-byte integer blas calls [2] 56473 converting int_lgen1e.F back to 8-byte integer blas calls [3] 56474 converting intb_2e4c.F back to 8-byte integer blas calls [4] 56475 [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] 56557 converting intd_1e3ov.F back to 8-byte integer blas calls [2] 56559 converting intd_1eh1.F back to 8-byte integer blas calls [3] 56560 converting intd_2e2c.F back to 8-byte integer blas calls [4] 56561 [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] 56742 converting intd_mpolel.F back to 8-byte integer blas calls [2] 56743 converting intp_txyz.F back to 8-byte integer blas calls [3] 56744 converting intpd_mpolel.F back to 8-byte integer blas calls [4] 56745 [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] 57125 converting int_2e4c.F back to 8-byte integer blas calls [2] 57126 converting intdd_2e2c.F back to 8-byte integer blas calls [3] 57127 converting intdd_2e3c.F back to 8-byte integer blas calls [4] 57129 [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] 57181 converting intdd_2e4c.F back to 8-byte integer blas calls [2] 57182 converting intd_1epot.F back to 8-byte integer blas calls [3] 57183 converting intd_1epot_cosmo.F back to 8-byte integer blas calls [4] 57184 [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] 57215 converting intpd_2e3c.F back to 8-byte integer blas calls [2] 57216 converting intpd_1eke.F back to 8-byte integer blas calls [3] 57217 converting intpd_2e2c.F back to 8-byte integer blas calls [4] 57218 [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] 57228 [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] 57848 converting hfkei.f back to 8-byte integer blas calls [2] 57849 converting hfnai.f back to 8-byte integer blas calls [3] 57850 converting hfnai_er.F back to 8-byte integer blas calls [4] 57851 [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] 57968 converting igamma.F back to 8-byte integer blas calls [2] 57969 converting hferi.F back to 8-byte integer blas calls [3] 57970 converting hf1.F back to 8-byte integer blas calls [4] 57971 [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] 57980 [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] 58659 converting spherical.F back to 8-byte integer blas calls [2] 58660 converting xlm_norm.F back to 8-byte integer blas calls [3] 58661 converting xlmcoeff.F back to 8-byte integer blas calls [4] 58662 [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] 59473 converting int_spcart2.F back to 8-byte integer blas calls [2] 59474 [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] 60170 [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] 61878 converting hf1d.F back to 8-byte integer blas calls [2] 61879 converting hf2PRtoAB.f back to 8-byte integer blas calls [3] 61880 converting hf2QStoCD.f back to 8-byte integer blas calls [4] 61881 [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] 62002 converting hf2d_2a.F back to 8-byte integer blas calls [2] 62003 converting hf2d_2a2b.F back to 8-byte integer blas calls [3] 62004 converting hf2d_2b.F back to 8-byte integer blas calls [4] 62005 [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] 62091 converting hf2d_3a2b.F back to 8-byte integer blas calls [2] 62092 converting hfd3oi.F back to 8-byte integer blas calls [3] 62093 converting hf2d_all.F back to 8-byte integer blas calls [4] 62094 [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] 62126 converting hf1d_cosmo.F back to 8-byte integer blas calls [2] 62127 [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] 62770 converting big_service.F back to 8-byte integer blas calls [2] 62771 converting trobsa.F back to 8-byte integer blas calls [3] 62772 converting getmem.F back to 8-byte integer blas calls [4] 62773 [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] 63825 converting ecp_cart_xpd.F back to 8-byte integer blas calls [2] 63826 converting ecp_cstrans.F back to 8-byte integer blas calls [3] 63827 converting ecp_grad_a.F back to 8-byte integer blas calls [4] 63828 [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] 63835 converting ecp_gradient.F back to 8-byte integer blas calls [2] 63836 converting ecp_hessian.F back to 8-byte integer blas calls [3] 63837 converting ecp_int0.F back to 8-byte integer blas calls [4] 63838 [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] 63993 converting ecp_int2.F back to 8-byte integer blas calls [2] 63994 converting ecp_integral.F back to 8-byte integer blas calls [3] 63995 converting ecp_local0.F back to 8-byte integer blas calls [4] 63996 [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] 64158 converting ecp_local2.F back to 8-byte integer blas calls [2] 64159 converting ecp_locint1.F back to 8-byte integer blas calls [3] 64160 converting ecp_radint0.F back to 8-byte integer blas calls [4] 64161 [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] 64212 converting ecp_radint2.F back to 8-byte integer blas calls [2] 64215 converting ecp_s2ccoef.f back to 8-byte integer blas calls [3] 64216 converting ecp_so_ang.F back to 8-byte integer blas calls [4] 64217 [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] 64298 converting ecp_t1_Q3asy.F back to 8-byte integer blas calls [2] 64299 converting ecp_t1_Q0pow.F back to 8-byte integer blas calls [3] 64300 converting ecp_t1_Q1pow.F back to 8-byte integer blas calls [4] 64301 [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] 64311 converting ecp_t2_p0pow.F back to 8-byte integer blas calls [2] 64312 converting ecp_t2_p1pow.F back to 8-byte integer blas calls [3] 64313 converting ecp_t2_p3pow.F back to 8-byte integer blas calls [4] 64314 [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] 64340 converting ecp_skipint.F back to 8-byte integer blas calls [2] 64341 converting int_ecp.F back to 8-byte integer blas calls [3] 64342 [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] 65269 converting hnd_stvintd.F back to 8-byte integer blas calls [2] 65270 converting hnd_stvintdd.F back to 8-byte integer blas calls [3] 65271 converting hnd_elfder.F back to 8-byte integer blas calls [4] 65272 [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] 65350 converting hnd_dso.F back to 8-byte integer blas calls [2] 65351 converting hnd_giaoh11.F back to 8-byte integer blas calls [3] 65352 converting hnd_giaoh01.F back to 8-byte integer blas calls [4] 65353 [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] 65421 converting hnd_giaobq10.F back to 8-byte integer blas calls [2] 65422 converting hnd_giaol10.F back to 8-byte integer blas calls [3] 65423 converting hnd_giaos10.F back to 8-byte integer blas calls [4] 65424 [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] 65482 converting hnd_vstat.F back to 8-byte integer blas calls [2] 65483 converting hnd_veloc.F back to 8-byte integer blas calls [3] 65484 converting hnd_dipder.F back to 8-byte integer blas calls [4] 65485 [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] 65508 converting hnd_dipvel.F back to 8-byte integer blas calls [2] 65509 converting hnd_giahnd.F back to 8-byte integer blas calls [3] 65510 [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] 728 converting rel_oneld.F back to 8-byte integer blas calls [2] 729 converting rel_mpole.F back to 8-byte integer blas calls [3] 730 converting rel_2e4c_sf.F back to 8-byte integer blas calls [4] 731 [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] 811 converting rel_SSLL.F back to 8-byte integer blas calls [2] 812 converting rel_SSSS.F back to 8-byte integer blas calls [3] 813 converting rel_2e4cd_sf.F back to 8-byte integer blas calls [4] 814 [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] 841 converting rel_SSLLd.F back to 8-byte integer blas calls [2] 842 converting rel_SSSSd.F back to 8-byte integer blas calls [3] 844 converting rel_pot.F back to 8-byte integer blas calls [4] 845 [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] 849 converting rel_pot2.F back to 8-byte integer blas calls [2] 850 [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] 1577 converting int_1edkso_ga.F back to 8-byte integer blas calls [2] 1578 [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] 5228 converting atscf_atscf.F back to 8-byte integer blas calls [2] 5229 converting atscf_ecp.F back to 8-byte integer blas calls [3] 5230 [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] 6754 converting pot_shell.F back to 8-byte integer blas calls [2] 6755 converting fmm.F back to 8-byte integer blas calls [3] 6756 converting newfmm.F back to 8-byte integer blas calls [4] 6757 [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] 7217 converting cart_trans.F back to 8-byte integer blas calls [2] 7218 converting xlm_poles.F back to 8-byte integer blas calls [3] 7219 converting fastj.F back to 8-byte integer blas calls [4] 7220 [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] 7604 [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] 7714 converting ao_replicated.F back to 8-byte integer blas calls [2] 7715 converting fock_2e_file.F back to 8-byte integer blas calls [3] 7716 converting fock_2e_slab.F back to 8-byte integer blas calls [4] 7717 [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] 7852 converting movecs_lock.F back to 8-byte integer blas calls [2] 7853 converting movecs_phase.F back to 8-byte integer blas calls [3] 7854 converting riscf_fock.F back to 8-byte integer blas calls [4] 7855 [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] 8431 converting rohf_diis.F back to 8-byte integer blas calls [2] 8432 converting rohf_k2cf.F back to 8-byte integer blas calls [3] 8433 converting scf_movecs.F back to 8-byte integer blas calls [4] 8434 [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] 8636 converting uhf.F back to 8-byte integer blas calls [2] 8637 converting movecs_frag.F back to 8-byte integer blas calls [3] 8638 converting localize.F back to 8-byte integer blas calls [4] 8639 [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] 9050 converting fock_2e_cam.F back to 8-byte integer blas calls [2] 9051 converting int_1e_ga.F back to 8-byte integer blas calls [3] 9052 converting movecs_rotate.F back to 8-byte integer blas calls [4] 9053 [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] 9121 converting ga_get2eri.F back to 8-byte integer blas calls [2] 9122 [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] 9820 converting ga_reorder.F back to 8-byte integer blas calls [2] 9821 converting grad_dens.F back to 8-byte integer blas calls [3] 9822 [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] 10290 converting moints_6x.F back to 8-byte integer blas calls [2] 10291 converting moints_aux2.F back to 8-byte integer blas calls [3] 10292 converting moints_ccsd.F back to 8-byte integer blas calls [4] 10293 [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] 10410 converting moints_semi.F back to 8-byte integer blas calls [2] 10411 converting sifs0.F back to 8-byte integer blas calls [3] 10412 converting sifs1.F back to 8-byte integer blas calls [4] 10413 [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] 11806 [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: 1: /build/nwchem-6.8.1/src/tools/install/bin/ga-config: not found /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] 12974 converting diis_bld12.F back to 8-byte integer blas calls [2] 12975 converting diis_bsolve.F back to 8-byte integer blas calls [3] 12976 converting dft_densm.F back to 8-byte integer blas calls [4] 12977 [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] 13019 converting dft_canorg.F back to 8-byte integer blas calls [2] 13020 converting cdft_util.F back to 8-byte integer blas calls [3] 13021 [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] 14391 converting diis_bld12_so.F back to 8-byte integer blas calls [2] 14392 converting diis_bsolve_so.F back to 8-byte integer blas calls [3] 14394 converting sym_mo_adapt_so.F back to 8-byte integer blas calls [4] 14395 [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] 14431 converting dft_scf_so.F back to 8-byte integer blas calls [2] 14432 converting ga_orthog_so.F back to 8-byte integer blas calls [3] 14433 converting dft_scf_utils_so.F back to 8-byte integer blas calls [4] 14434 [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] 14862 [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] 15616 converting dft_fitvc.F back to 8-byte integer blas calls [2] 15617 converting dft_genspm.F back to 8-byte integer blas calls [3] 15618 converting dft_3cincor.F back to 8-byte integer blas calls [4] 15619 [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] 15942 [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] 16881 converting xc_dirac.F back to 8-byte integer blas calls [2] 16882 converting xc_bnl.F back to 8-byte integer blas calls [3] 16883 converting xc_att_xc.F back to 8-byte integer blas calls [4] 16884 [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] 16899 converting xc_rhogen.F back to 8-byte integer blas calls [2] 16900 converting xc_oep.F back to 8-byte integer blas calls [3] 16901 converting xc_sic_pert.F back to 8-byte integer blas calls [4] 16902 [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] 16970 converting localize_sic.F back to 8-byte integer blas calls [2] 16971 converting xc_eval_basis.F back to 8-byte integer blas calls [3] 16972 converting xc_eval_fnl.F back to 8-byte integer blas calls [4] 16973 [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] 17110 converting xc_optc.F back to 8-byte integer blas calls [2] 17111 converting xc_atomblock.F back to 8-byte integer blas calls [3] 17112 converting scat_mat.F back to 8-byte integer blas calls [4] 17113 [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] 17126 converting xc_vdw_main.F back to 8-byte integer blas calls [2] 17127 converting xc_vdw_util.F back to 8-byte integer blas calls [3] 17128 converting xc_3rd_deriv.F back to 8-byte integer blas calls [4] 17129 [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] 17619 converting ga_inv_seq.F back to 8-byte integer blas calls [2] 17620 [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] 18105 converting grid_beckew.F back to 8-byte integer blas calls [2] 18106 converting grid_file.F back to 8-byte integer blas calls [3] 18107 converting grid_setspac.F back to 8-byte integer blas calls [4] 18108 [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] 18204 converting grid_quadv0b.F back to 8-byte integer blas calls [2] 18206 converting grid_quadvw.F back to 8-byte integer blas calls [3] 18207 converting grid_tasks.F back to 8-byte integer blas calls [4] 18208 [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] 18387 converting grid_quadvw1.F back to 8-byte integer blas calls [2] 18388 converting grid_xcfit.F back to 8-byte integer blas calls [3] 18389 converting grid_sympts.F back to 8-byte integer blas calls [4] 18390 [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] 18450 converting grid_finpts.F back to 8-byte integer blas calls [2] 18451 converting grid_ylm.F back to 8-byte integer blas calls [3] 18452 converting grid_eaf.F back to 8-byte integer blas calls [4] 18453 [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] 18971 converting dftg_quadv0b.F back to 8-byte integer blas calls [2] 18972 converting dftg_wderiv.F back to 8-byte integer blas calls [3] 18973 converting j_nucder_gen.F back to 8-byte integer blas calls [4] 18974 [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] 19099 converting dftg_gridv0a.F back to 8-byte integer blas calls [2] 19100 converting dftg_gridv0b.F back to 8-byte integer blas calls [3] 19101 [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] 19989 converting tddft_transfm.F back to 8-byte integer blas calls [2] 19990 converting tddft_analysis.F back to 8-byte integer blas calls [3] 19991 converting tddft_restart.F back to 8-byte integer blas calls [4] 19992 [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] 20628 converting tddft_grad_compute_w.F back to 8-byte integer blas calls [2] 20629 converting tddft_grad_dxcdmat.F back to 8-byte integer blas calls [3] 20630 converting tddft_grad_dfxc.F back to 8-byte integer blas calls [4] 20631 [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] 20686 converting tddft_grad_dvxc.F back to 8-byte integer blas calls [2] 20687 converting tddft_grad_compute_g.F back to 8-byte integer blas calls [3] 20688 [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] 21228 converting dft_zora_EPR-NMR_tools.F back to 8-byte integer blas calls [2] 21229 converting zora_tabcd.F back to 8-byte integer blas calls [3] 21230 converting dft_zora_EPR.F back to 8-byte integer blas calls [4] 21231 [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] 21417 converting zora_tabcd_EFG.F back to 8-byte integer blas calls [2] 21418 converting dft_zora_utils_so.F back to 8-byte integer blas calls [3] 21419 [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] 22915 converting zmat_inv.F back to 8-byte integer blas calls [2] 22916 [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] 26571 converting eval_3ci.F back to 8-byte integer blas calls [2] 26572 converting rimp2_v_e2.F back to 8-byte integer blas calls [3] 26573 converting xf3ci_s12a.F back to 8-byte integer blas calls [4] 26574 [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] 26603 [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] 27030 converting stpr_mkstep.F back to 8-byte integer blas calls [2] 27031 converting stpr_partit.F back to 8-byte integer blas calls [3] 27032 converting stpr_gh_at.F back to 8-byte integer blas calls [4] 27033 [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] 27513 converting oniom.F back to 8-byte integer blas calls [2] 27514 converting lbfgs.F back to 8-byte integer blas calls [3] 27515 converting lbfgs-b.F back to 8-byte integer blas calls [4] 27516 [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] 27746 [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] 29092 [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] 29674 [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] 30640 converting neb_utils.F back to 8-byte integer blas calls [2] 30641 converting bead_list.F back to 8-byte integer blas calls [3] 30642 converting neb_input.F back to 8-byte integer blas calls [4] 30643 [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] 32128 [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] 33112 converting ccsd_itm_omp.F back to 8-byte integer blas calls [2] 33113 converting ccsd_t2pm.F back to 8-byte integer blas calls [3] 33114 converting ccsd_iterdrv2.F back to 8-byte integer blas calls [4] 33115 [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] 33196 converting ccsd_pampt3.F back to 8-byte integer blas calls [2] 33197 converting ccsd_idx1.F back to 8-byte integer blas calls [3] 33198 converting ccsd_idx2.F back to 8-byte integer blas calls [4] 33199 [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] 33228 converting ccsd_pdiis.F back to 8-byte integer blas calls [2] 33229 converting ccsd_sortmo.F back to 8-byte integer blas calls [3] 33230 converting ccsd_trpdrv.F back to 8-byte integer blas calls [4] 33231 [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] 33248 converting ccsd_trpdrv_omp.F back to 8-byte integer blas calls [2] 33249 converting ccsd_trpdrv_omp_mixprec.F back to 8-byte integer blas calls [3] 33250 converting moints_trp.F back to 8-byte integer blas calls [4] 33251 [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] 33349 converting ccsd_z2pm.F back to 8-byte integer blas calls [2] 33350 converting ccsd_tzinta.F back to 8-byte integer blas calls [3] 33351 converting ccsd_tzintb.F back to 8-byte integer blas calls [4] 33352 [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] 33353 converting ccsd_zsig2.F back to 8-byte integer blas calls [2] 33354 converting ccden_interm2.F back to 8-byte integer blas calls [3] 33355 converting ccden_1pdm.F back to 8-byte integer blas calls [4] 33357 [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] 33383 converting ccsd_mktau_ga.F back to 8-byte integer blas calls [2] 33384 converting ccden_2pdmb.F back to 8-byte integer blas calls [3] 33385 converting aoccsd2.F back to 8-byte integer blas calls [4] 33386 [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] 33441 [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] 33897 converting vib_hmass.F back to 8-byte integer blas calls [2] 33898 converting vib_intense.F back to 8-byte integer blas calls [3] 33899 converting vib_nmass.F back to 8-byte integer blas calls [4] 33900 [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] 33928 converting vib_vib.F back to 8-byte integer blas calls [2] 33929 converting vib_wrtfreq.F back to 8-byte integer blas calls [3] 33930 converting vib_istep.F back to 8-byte integer blas calls [4] 33931 [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] 33962 converting vib_phonon.F back to 8-byte integer blas calls [2] 33963 [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] 34924 converting detci_dens.F back to 8-byte integer blas calls [2] 34925 converting detci_diag.F back to 8-byte integer blas calls [3] 34926 converting detci_sigma.F back to 8-byte integer blas calls [4] 34927 [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] 35000 [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] 35005 converting mcscf_aux.F back to 8-byte integer blas calls [2] 35006 converting mcscf_b.F back to 8-byte integer blas calls [3] 35007 converting mcscf_debug.F back to 8-byte integer blas calls [4] 35008 [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] 35061 converting mcscf_ohvmo.F back to 8-byte integer blas calls [2] 35062 converting mcscf_orb.F back to 8-byte integer blas calls [3] 35063 converting mcscf_prcnd.F back to 8-byte integer blas calls [4] 35064 [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] 35983 converting esp_denmat.F back to 8-byte integer blas calls [2] 35984 [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] 37350 converting xc_d2expl.F back to 8-byte integer blas calls [2] 37351 converting xc_nucder_gen.F back to 8-byte integer blas calls [3] 37352 [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] 37375 converting hess_restart.F back to 8-byte integer blas calls [2] 37376 converting shell_fock_build.F back to 8-byte integer blas calls [3] 37377 converting shell_fock_build_cam.F back to 8-byte integer blas calls [4] 37378 [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] 37450 [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] 37481 [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] 37935 converting fcidim.F back to 8-byte integer blas calls [2] 37936 converting makeh.F back to 8-byte integer blas calls [3] 37937 converting makehs.F back to 8-byte integer blas calls [4] 37938 [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] 37951 converting tester.F back to 8-byte integer blas calls [2] 37952 converting selci_hpp.F back to 8-byte integer blas calls [3] 37953 [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] 38396 converting dmat.F back to 8-byte integer blas calls [2] 38397 converting create_contour.F back to 8-byte integer blas calls [3] 38398 converting get_charges.F back to 8-byte integer blas calls [4] 38399 [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] 38446 [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] 39153 converting mp2_lai_uhf.F back to 8-byte integer blas calls [2] 39154 converting mp2_make_tuhf.F back to 8-byte integer blas calls [3] 39155 converting mp2_pijab_uhf.F back to 8-byte integer blas calls [4] 39156 [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] 39304 converting mp2_wijab_uhf.F back to 8-byte integer blas calls [2] 39305 converting mp2_back_transform.F back to 8-byte integer blas calls [3] 39306 converting mp2_read_tiajb.F back to 8-byte integer blas calls [4] 39307 [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] 42900 converting wnbofile.F back to 8-byte integer blas calls [2] 42901 converting hnd_spinspin.F back to 8-byte integer blas calls [3] 42902 converting hnd_mtpole.F back to 8-byte integer blas calls [4] 42903 [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] 43162 converting hnd_elpmap.F back to 8-byte integer blas calls [2] 43163 converting hnd_elfmap.F back to 8-byte integer blas calls [3] 43164 converting hnd_mtpcon.F back to 8-byte integer blas calls [4] 43165 [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] 43279 converting hnd_spinspin.F back to 8-byte integer blas calls [2] 43280 converting aoresponse_driver.F back to 8-byte integer blas calls [3] 43281 converting raman.F back to 8-byte integer blas calls [4] 43282 [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] 43688 converting hnd_gshift_zora.F back to 8-byte integer blas calls [2] 43689 converting wshldfile.F back to 8-byte integer blas calls [3] 43690 converting int_giao_1ega.F back to 8-byte integer blas calls [4] 43691 [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] 45242 converting wefgfile.F back to 8-byte integer blas calls [2] 45243 converting aoresponse_driver_new.F back to 8-byte integer blas calls [3] 45244 converting hnd_elfcon_symm.F back to 8-byte integer blas calls [4] 45245 [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] 45702 converting hnd_hyperfine_zora.F back to 8-byte integer blas calls [2] 45703 [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] 48671 converting Parallel.F back to 8-byte integer blas calls [2] 48672 [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] 49762 converting Dne.F back to 8-byte integer blas calls [2] 49763 converting skew.F back to 8-byte integer blas calls [3] 49764 converting Dne_omp.F back to 8-byte integer blas calls [4] 49765 [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] 51337 [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] 52059 converting D3dB_pfft.F back to 8-byte integer blas calls [2] 52060 converting D3dB-mpi.F back to 8-byte integer blas calls [3] 52061 converting D3dB-tcgmsg.F back to 8-byte integer blas calls [4] 52062 [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] 54287 [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] 55456 [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] 56126 converting C3dB_pfft.F back to 8-byte integer blas calls [2] 56127 converting C3dB-tcgmsg.F back to 8-byte integer blas calls [3] 56128 converting C3dB-mpi.F back to 8-byte integer blas calls [4] 56129 [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] 57457 converting DMatrix.F back to 8-byte integer blas calls [2] 57458 converting DMatrix-tcgmsg.F back to 8-byte integer blas calls [3] 57459 [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] 58848 converting CMatrix-tcgmsg.F back to 8-byte integer blas calls [2] 58849 converting CMatrix-mpi.F back to 8-byte integer blas calls [3] 58850 [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] 59965 converting ffm_multiply_omp_group.F back to 8-byte integer blas calls [2] 59966 [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] 60838 [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] 61700 converting pack.F back to 8-byte integer blas calls [2] 61701 converting G_init.F back to 8-byte integer blas calls [3] 61702 converting cram.F back to 8-byte integer blas calls [4] 61703 [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] 61945 [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] 63600 [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] 63664 converting fcoord.f back to 8-byte integer blas calls [2] 63665 converting incell1.f back to 8-byte integer blas calls [3] 63666 converting incell2.f back to 8-byte integer blas calls [4] 63667 [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] 64325 converting unfold.f back to 8-byte integer blas calls [2] 64326 converting seperate_molpsp.F back to 8-byte integer blas calls [3] 64327 converting seperate_pointcharge.F back to 8-byte integer blas calls [4] 64328 [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] 64416 [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] 2838 converting nwpw_compcharge.F back to 8-byte integer blas calls [2] 2839 converting nwpw_xc.F back to 8-byte integer blas calls [3] 2840 converting nwpw_compcharge2.F back to 8-byte integer blas calls [4] 2841 [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] 3974 converting matrix.f back to 8-byte integer blas calls [2] 3975 converting nwpw_scf_mixing.F back to 8-byte integer blas calls [3] 3976 converting kerker_G.F back to 8-byte integer blas calls [4] 3977 [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] 4151 converting cellgeometry.F back to 8-byte integer blas calls [2] 4152 converting nwpw_list.F back to 8-byte integer blas calls [3] 4153 converting cpsi_data.F back to 8-byte integer blas calls [4] 4154 [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] 4155 converting nwpw_diis.F back to 8-byte integer blas calls [2] 4156 converting nwpw_kain.F back to 8-byte integer blas calls [3] 4157 converting nwpw_matrix_invert.F back to 8-byte integer blas calls [4] 4158 [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] 4166 [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] 5973 converting frac_occ.F back to 8-byte integer blas calls [2] 5974 [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] 7010 [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] 7736 converting ewald_strfac.F back to 8-byte integer blas calls [2] 7737 [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] 8906 [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] 9703 [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] 11572 [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] 12448 [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] 13506 [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] 14040 converting nwpwxc_vdw3c.F back to 8-byte integer blas calls [2] 14041 converting nwpwxc_eval.F back to 8-byte integer blas calls [3] 14042 converting nwpwxc_c_vwn_a.fh back to 8-byte integer blas calls [4] 14043 [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] 16006 converting geodesic.F back to 8-byte integer blas calls [2] 16007 converting geodesic2.F back to 8-byte integer blas calls [3] 16008 converting Grassman.F back to 8-byte integer blas calls [4] 16009 [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] 16212 converting psi_history.F back to 8-byte integer blas calls [2] 16213 converting skew.F back to 8-byte integer blas calls [3] 16214 converting geodesic1.F back to 8-byte integer blas calls [4] 16215 [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] 16242 converting psi_dmatrix.F back to 8-byte integer blas calls [2] 16243 [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] 16723 converting psi_H.F back to 8-byte integer blas calls [2] 16724 converting psi_Hv4.F back to 8-byte integer blas calls [3] 16725 [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] 17310 [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] 17780 converting coulomb2.F back to 8-byte integer blas calls [2] 17781 converting coulomb_screened.F back to 8-byte integer blas calls [3] 17782 converting coulomb_screened_small.F back to 8-byte integer blas calls [4] 17783 [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] 18281 converting v_bwexc.F back to 8-byte integer blas calls [2] 18282 converting nwpw_meta_gga.F back to 8-byte integer blas calls [3] 18283 converting v_mexc.F back to 8-byte integer blas calls [4] 18284 [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] 18789 [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] 19332 converting pspw_hfx_localized.F back to 8-byte integer blas calls [2] 19333 [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] 20367 converting psp_olddebug.F back to 8-byte integer blas calls [2] 20368 converting paw.F back to 8-byte integer blas calls [3] 20369 converting semicore.F back to 8-byte integer blas calls [4] 20370 [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] 20561 converting psp_stress.F back to 8-byte integer blas calls [2] 20562 converting semicore_force_a.F back to 8-byte integer blas calls [3] 20563 converting semicore_force_b.F back to 8-byte integer blas calls [4] 20564 [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] 20577 converting psp_ld.F back to 8-byte integer blas calls [2] 20578 [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] 21078 converting pspw_lmbfgs2.F back to 8-byte integer blas calls [2] 21079 converting pspw_diis.F back to 8-byte integer blas calls [3] 21080 converting pspw_Grsm_list.F back to 8-byte integer blas calls [4] 21081 [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] 21082 [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] 21546 [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] 22017 [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] 22486 converting integrate_kbppv3.f back to 8-byte integer blas calls [2] 22487 converting integrate_kbppv3d.f back to 8-byte integer blas calls [3] 22488 converting integrate_kbpp_orb.F back to 8-byte integer blas calls [4] 22489 [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] 22516 converting integrate_d_stress.F back to 8-byte integer blas calls [2] 22517 converting HGH_local.F back to 8-byte integer blas calls [3] 22518 converting HGH_nonlocal.F back to 8-byte integer blas calls [4] 22519 [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] 22546 converting hghppv1.F back to 8-byte integer blas calls [2] 22547 converting pawppv1.F back to 8-byte integer blas calls [3] 22548 converting integrate_kbppv3d_new.f back to 8-byte integer blas calls [4] 22549 [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] 22590 converting integrate_d_stress_new.F back to 8-byte integer blas calls [2] 22591 converting integrate_pawppv1.F back to 8-byte integer blas calls [3] 22592 converting junk.f back to 8-byte integer blas calls [4] 22593 [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] 22634 converting integrate_stress_new.F back to 8-byte integer blas calls [2] 22635 converting integrate_stress_ray.F back to 8-byte integer blas calls [3] 22636 converting integrate_paw_ray.F back to 8-byte integer blas calls [4] 22637 [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] 22674 converting integrate_kbppv3e_new.f back to 8-byte integer blas calls [2] 22675 converting integrate_kbppv3e_ray.f back to 8-byte integer blas calls [3] 22676 converting kbppv3e_stress.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 integrate_e_stress.F back to 8-byte integer blas calls [1] 22724 converting integrate_e_stress_new.F back to 8-byte integer blas calls [2] 22725 converting integrate_e_stress_ray.F back to 8-byte integer blas calls [3] 22726 converting kbppv3d.F back to 8-byte integer blas calls [4] 22727 [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] 23225 converting v_wvfnc_init.F back to 8-byte integer blas calls [2] 23226 converting wvfnc_expander.F back to 8-byte integer blas calls [3] 23227 converting v_wvfnc_new.F back to 8-byte integer blas calls [4] 23228 [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] 23241 converting silvestrelli_minimize.F back to 8-byte integer blas calls [2] 23242 converting expand_cell.F back to 8-byte integer blas calls [3] 23243 converting wvfnc_expand_cell.F back to 8-byte integer blas calls [4] 23244 [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] 23260 converting wvfnc_adjust.F back to 8-byte integer blas calls [2] 23261 converting silvestrelli_minimize_old.F back to 8-byte integer blas calls [3] 23262 converting makenodefunctions.F back to 8-byte integer blas calls [4] 23263 [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] 23305 [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] 23759 converting psi_lmbda2.f back to 8-byte integer blas calls [2] 23760 converting psi_lmbda3.f back to 8-byte integer blas calls [3] 23761 converting psi_lmbda_sic.f back to 8-byte integer blas calls [4] 23762 [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] 23763 converting inner_loop.F back to 8-byte integer blas calls [2] 23764 converting inner_loop_md.F back to 8-byte integer blas calls [3] 23765 converting cpsdv5.F back to 8-byte integer blas calls [4] 23766 [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] 23822 converting psi_lmbda2.f back to 8-byte integer blas calls [2] 23823 converting psi_lmbda_omp.F back to 8-byte integer blas calls [3] 23824 converting mmsdv1.F back to 8-byte integer blas calls [4] 23825 [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] 23867 converting cpmd_qmmm_start.F back to 8-byte integer blas calls [2] 23868 converting cpmd_qmmm_stop.F back to 8-byte integer blas calls [3] 23869 converting mm_loop.F back to 8-byte integer blas calls [4] 23870 [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] 23896 converting psi_lmbda_omp.F back to 8-byte integer blas calls [2] 23897 [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] 24437 converting cgmdv5.F back to 8-byte integer blas calls [2] 24438 converting cgmontecarlov1.F back to 8-byte integer blas calls [3] 24439 converting cgoptimize1.F back to 8-byte integer blas calls [4] 24440 [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] 24558 converting bybminimize.F back to 8-byte integer blas calls [2] 24559 converting bybminimize2.F back to 8-byte integer blas calls [3] 24560 converting pspw_bq_gradient.F back to 8-byte integer blas calls [4] 24561 [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] 24705 converting mmmdv1.F back to 8-byte integer blas calls [2] 24706 converting bfgsminimize2.F back to 8-byte integer blas calls [3] 24707 converting bfgsminimize3.F back to 8-byte integer blas calls [4] 24708 [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] 24834 converting cgminimize2.F back to 8-byte integer blas calls [2] 24835 converting cgsd_noit_energy.F back to 8-byte integer blas calls [3] 24836 converting bfgsminimize.F back to 8-byte integer blas calls [4] 24837 [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] 25887 converting pspw_Efield.F back to 8-byte integer blas calls [2] 25888 converting pspw_Efield_grad.F back to 8-byte integer blas calls [3] 25889 [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] 25920 converting pspw_atom_analysis.F back to 8-byte integer blas calls [2] 25921 converting analysis.F back to 8-byte integer blas calls [3] 25922 converting orb_pop_kawai.F back to 8-byte integer blas calls [4] 25923 [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] 25964 [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] 26440 converting stress_fd.F back to 8-byte integer blas calls [2] 26441 converting force_fd.F back to 8-byte integer blas calls [3] 26442 [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] 27584 [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] 28126 [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] 28601 [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] 29124 [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] 29129 [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] 29707 converting pspw_cosmo.F back to 8-byte integer blas calls [2] 29708 [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] 30246 converting ELF.F back to 8-byte integer blas calls [2] 30247 [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] 30964 converting lcao_init_dn.F back to 8-byte integer blas calls [2] 30965 converting lcao_new_dn.F back to 8-byte integer blas calls [3] 30966 converting lcao_new_mix_dn.F back to 8-byte integer blas calls [4] 30967 [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] 31047 converting lcao_diis.F back to 8-byte integer blas calls [2] 31048 converting lcaov1.F back to 8-byte integer blas calls [3] 31049 [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] 33501 [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] 36933 [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] 37878 converting paw_ovlp.F back to 8-byte integer blas calls [2] 37879 [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] 40307 [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] 41845 converting paw_matrix_hartree.F back to 8-byte integer blas calls [2] 41846 [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] 42833 converting paw_mult_interaction.F back to 8-byte integer blas calls [2] 42834 converting paw_mult_energy.F back to 8-byte integer blas calls [3] 42835 [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] 43365 [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] 43944 [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] 44434 [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] 44940 [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] 45439 converting paw_lmbfgs.F back to 8-byte integer blas calls [2] 45440 [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] 45887 converting paw_geodesic.F back to 8-byte integer blas calls [2] 45888 converting paw_electron.F back to 8-byte integer blas calls [3] 45889 converting paw_psi2.F back to 8-byte integer blas calls [4] 45890 [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] 46441 converting paw_inner_loop.F back to 8-byte integer blas calls [2] 46442 converting paw_cpmd.F back to 8-byte integer blas calls [3] 46443 converting paw_inner_loop_md.F back to 8-byte integer blas calls [4] 46444 [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] 47047 converting paw_minimizer.F back to 8-byte integer blas calls [2] 47048 converting paw_cgsd_energy.F back to 8-byte integer blas calls [3] 47049 converting paw_cgminimize.F back to 8-byte integer blas calls [4] 47050 [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] 47544 converting paw_update_unitcell.F back to 8-byte integer blas calls [2] 47545 [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] 48702 converting c_cgsd_energy.F back to 8-byte integer blas calls [2] 48703 converting c_cgsd_energy_gradient.F back to 8-byte integer blas calls [3] 48704 converting c_bybminimize.F back to 8-byte integer blas calls [4] 48705 [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] 48758 converting c_cgsd_energy_stress.F back to 8-byte integer blas calls [2] 48759 [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] 49241 converting band_interpolate_structure.F back to 8-byte integer blas calls [2] 49242 converting band_kp_structure.F back to 8-byte integer blas calls [3] 49243 converting band_fft_structure.F back to 8-byte integer blas calls [4] 49244 [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] 50004 converting band_cpmd.F back to 8-byte integer blas calls [2] 50005 converting band_inner_loop.F back to 8-byte integer blas calls [3] 50006 converting band_inner_loop_md.F back to 8-byte integer blas calls [4] 50007 [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] 50665 converting band_update_unitcell.F back to 8-byte integer blas calls [2] 50666 [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] 51182 converting kbpp_band_orb.F back to 8-byte integer blas calls [2] 51183 converting setup_kbpp_band.f back to 8-byte integer blas calls [3] 51184 converting integrate_kbpp_band_local.F back to 8-byte integer blas calls [4] 51185 [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] 51250 converting integrate_kbpp_band_orb.F back to 8-byte integer blas calls [2] 51251 converting kbpp_band_stress.F back to 8-byte integer blas calls [3] 51252 converting integrate_kbpp_band_stress_local.F back to 8-byte integer blas calls [4] 51253 [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] 51306 converting HGH_band_local.F back to 8-byte integer blas calls [2] 51307 converting HGH_band_nonlocal.F back to 8-byte integer blas calls [3] 51309 converting Tesseral_band.F back to 8-byte integer blas calls [4] 51310 [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] 51395 converting hghpp_band.F back to 8-byte integer blas calls [2] 51396 converting integrate_kbpp_band_ray.F back to 8-byte integer blas calls [3] 51397 converting integrate_kbpp_band_stress_ray.F back to 8-byte integer blas calls [4] 51398 [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] 51441 converting integrate_kbpp_band_local_new.F back to 8-byte integer blas calls [2] 51442 converting integrate_kbpp_e_band_local_new.F back to 8-byte integer blas calls [3] 51443 converting integrate_kbpp_band_stress_local_new.F back to 8-byte integer blas calls [4] 51444 [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] 51548 converting integrate_kbpp_band_stress_nonlocal_new.F back to 8-byte integer blas calls [2] 51549 converting kbpp_e_band.F back to 8-byte integer blas calls [3] 51550 converting integrate_kbpp_e_band_nonlocal.F back to 8-byte integer blas calls [4] 51551 [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] 51604 converting integrate_kbpp_e_band_local.F back to 8-byte integer blas calls [2] 51605 converting integrate_kbpp_e_band_ray.F back to 8-byte integer blas calls [3] 51606 converting kbpp_e_band_stress.F back to 8-byte integer blas calls [4] 51607 [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] 51670 converting integrate_kbpp_e_band_stress_local_new.F back to 8-byte integer blas calls [2] 51671 converting integrate_kbpp_e_band_stress_ray.F back to 8-byte integer blas calls [3] 51672 converting integrate_kbpp_e_band_stress_nonlocal.F back to 8-byte integer blas calls [4] 51673 [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] 51719 [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] 52356 converting c_wvfnc_new.F back to 8-byte integer blas calls [2] 52357 converting c_wvfnc_expander.F back to 8-byte integer blas calls [3] 52358 converting c_v_wvfnc_new.F back to 8-byte integer blas calls [4] 52359 [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] 53311 converting cpsp_stress.F back to 8-byte integer blas calls [2] 53312 converting c_semicore.F back to 8-byte integer blas calls [3] 53313 converting cpsp_projector.F back to 8-byte integer blas calls [4] 53314 [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] 53421 converting c_semicore_force_b.F back to 8-byte integer blas calls [2] 53422 converting cpsp_relativistic.F back to 8-byte integer blas calls [3] 53423 converting cpsp_U.F back to 8-byte integer blas calls [4] 53424 [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] 53996 [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] 54558 converting c_coulomb_screened.F back to 8-byte integer blas calls [2] 54559 [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] 55087 converting psi_lmbda.f back to 8-byte integer blas calls [2] 55088 converting cpsi_H.F back to 8-byte integer blas calls [3] 55089 [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] 59915 converting c_geodesic.F back to 8-byte integer blas calls [2] 59916 converting cpsi_lmbda.F back to 8-byte integer blas calls [3] 59917 converting BGrsm.F back to 8-byte integer blas calls [4] 59918 [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] 63169 converting cpsi_read.F back to 8-byte integer blas calls [2] 63183 converting cpsi_write.F back to 8-byte integer blas calls [3] 63184 converting v_cpsi_read.F back to 8-byte integer blas calls [4] 63186 [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] 1061 [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] 10153 [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] 19991 converting band_lmbfgs.F back to 8-byte integer blas calls [2] 19992 [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] 27291 converting borb_projector.F back to 8-byte integer blas calls [2] 27292 [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] 32745 [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] 38249 converting orb_pop_borb.F back to 8-byte integer blas calls [2] 38250 [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] 49485 converting ofpw_cgsd_energy.F back to 8-byte integer blas calls [2] 49486 converting ofpw_cgminimize.F back to 8-byte integer blas calls [3] 49487 [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] 55497 converting inner_loop_ofpw.F back to 8-byte integer blas calls [2] 55498 converting chi_lmbda.f back to 8-byte integer blas calls [3] 55499 [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] 8187 converting chi_Hv4.F back to 8-byte integer blas calls [2] 8188 [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] 12975 [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] 18173 [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] 41381 converting fillup.F back to 8-byte integer blas calls [2] 41382 [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] 63865 converting nwc_s2.F back to 8-byte integer blas calls [2] 63866 converting nwc_s1.F back to 8-byte integer blas calls [3] 63867 [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] 2640 [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] 10080 converting qmmm_lbfgsb.F back to 8-byte integer blas calls [2] 10081 converting mm_interface.F back to 8-byte integer blas calls [3] 10082 [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] 20881 [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] 30930 [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] 35162 [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] 40578 converting ccsd_1pdm_pp_mo.F back to 8-byte integer blas calls [2] 40579 converting ccsd_1pdm_hp_mo.F back to 8-byte integer blas calls [3] 40580 converting ccsd_1pdm_ph_mo.F back to 8-byte integer blas calls [4] 40581 [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] 45298 converting ccsd_2pdm_hhhp_mo.F back to 8-byte integer blas calls [2] 45299 converting ccsd_2pdm_hhpp_mo.F back to 8-byte integer blas calls [3] 45300 converting ccsd_2pdm_hphh_mo.F back to 8-byte integer blas calls [4] 45301 [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] 48843 converting ccsd_2pdm_hppp_mo.F back to 8-byte integer blas calls [2] 48844 converting ccsd_2pdm_pphh_mo.F back to 8-byte integer blas calls [3] 48845 converting ccsd_2pdm_pphp_mo.F back to 8-byte integer blas calls [4] 48846 [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] 54719 converting zvec_x_a_a.F back to 8-byte integer blas calls [2] 54720 converting zvec_x_a_b_a.F back to 8-byte integer blas calls [3] 54721 converting zvec_x_a_b_b.F back to 8-byte integer blas calls [4] 54722 [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] 55553 converting zvec_x_a_c_b.F back to 8-byte integer blas calls [2] 55554 converting zvec_x_a_d.F back to 8-byte integer blas calls [3] 55555 converting zvec_x_a_e_a.F back to 8-byte integer blas calls [4] 55556 [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] 55905 converting zvec_x_a_f_a.F back to 8-byte integer blas calls [2] 55907 converting zvec_x_a_f_b.F back to 8-byte integer blas calls [3] 55909 converting zvec_x_b_a_a.F back to 8-byte integer blas calls [4] 55910 [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] 56340 converting zvec_x_b_b_a.F back to 8-byte integer blas calls [2] 56341 converting zvec_x_b_b_b.F back to 8-byte integer blas calls [3] 56342 converting zvec_x_b_c.F back to 8-byte integer blas calls [4] 56343 [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] 56805 converting zvec_x_b_d_b.F back to 8-byte integer blas calls [2] 56806 converting zvec_x_b_e_a.F back to 8-byte integer blas calls [3] 56807 converting zvec_x_b_e_b.F back to 8-byte integer blas calls [4] 56808 [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] 57228 converting zvec_x_c_a.F back to 8-byte integer blas calls [2] 57229 converting zvec_x_c_b.F back to 8-byte integer blas calls [3] 57230 converting ccsd_zvec.F back to 8-byte integer blas calls [4] 57232 [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] 58015 converting wdm_hh_mo_b_a_a.F back to 8-byte integer blas calls [2] 58016 converting wdm_hh_mo_b_a_b.F back to 8-byte integer blas calls [3] 58017 converting wdm_hh_mo_b_b_a.F back to 8-byte integer blas calls [4] 58018 [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] 58384 converting wdm_hh_mo_c_a.F back to 8-byte integer blas calls [2] 58385 converting wdm_hh_mo_c_b_a.F back to 8-byte integer blas calls [3] 58387 converting wdm_hh_mo_c_b_b.F back to 8-byte integer blas calls [4] 58390 [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] 59032 converting wdm_hh_mo_c_c_b.F back to 8-byte integer blas calls [2] 59033 converting wdm_hh_mo_c_d.F back to 8-byte integer blas calls [3] 59034 converting wdm_hh_mo_c_e_a.F back to 8-byte integer blas calls [4] 59035 [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] 59663 converting wdm_hh_mo_c_f_a.F back to 8-byte integer blas calls [2] 59664 converting wdm_hh_mo_c_f_b.F back to 8-byte integer blas calls [3] 59665 converting wdm_hh_mo_d.F back to 8-byte integer blas calls [4] 59667 [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] 60081 converting wdm_hp_mo_b_a_a.F back to 8-byte integer blas calls [2] 60082 converting wdm_hp_mo_b_a_b.F back to 8-byte integer blas calls [3] 60084 converting wdm_hp_mo_b_b_a.F back to 8-byte integer blas calls [4] 60085 [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] 60525 converting wdm_hp_mo_b_c.F back to 8-byte integer blas calls [2] 60526 converting wdm_hp_mo_b_d_a.F back to 8-byte integer blas calls [3] 60527 converting wdm_hp_mo_b_d_b.F back to 8-byte integer blas calls [4] 60528 [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] 60915 converting wdm_hp_mo_b_e_b.F back to 8-byte integer blas calls [2] 60916 converting wdm_hp_mo_b_f.F back to 8-byte integer blas calls [3] 60917 converting wdm_hp_mo_c.F back to 8-byte integer blas calls [4] 60918 [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] 61408 converting wdm_pp_mo_b_a_a.F back to 8-byte integer blas calls [2] 61410 converting wdm_pp_mo_b_a_b.F back to 8-byte integer blas calls [3] 61411 converting wdm_pp_mo_b_b_a.F back to 8-byte integer blas calls [4] 61412 [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] 61780 converting wdm_pp_mo_b_c.F back to 8-byte integer blas calls [2] 61781 converting wdm_pp_mo_b_d_a.F back to 8-byte integer blas calls [3] 61782 converting wdm_pp_mo_b_d_b.F back to 8-byte integer blas calls [4] 61783 [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] 62248 converting wdm_pp_mo_b_e_b.F back to 8-byte integer blas calls [2] 62249 converting wdm_pp_mo_b_f.F back to 8-byte integer blas calls [3] 62250 converting eomccsd_1pdm_hh_mo.F back to 8-byte integer blas calls [4] 62251 [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] 63220 converting tce_eomccsd_1prdm.F back to 8-byte integer blas calls [2] 63222 converting eomccsd_2pdm_hhhh_mo.F back to 8-byte integer blas calls [3] 63224 converting eomccsd_2pdm_hhhp_mo.F back to 8-byte integer blas calls [4] 63225 [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] 64215 converting eomccsd_2pdm_hphh_mo.F back to 8-byte integer blas calls [2] 64216 converting eomccsd_2pdm_hphp_mo.F back to 8-byte integer blas calls [3] 64217 converting eomccsd_2pdm_hppp_mo.F back to 8-byte integer blas calls [4] 64218 [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] 3497 converting eomccsd_2pdm_pphp_mo.F back to 8-byte integer blas calls [2] 3498 converting eomccsd_2pdm_pppp_mo.F back to 8-byte integer blas calls [3] 3499 converting eomccsd_z1.F back to 8-byte integer blas calls [4] 3500 [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] 17992 converting eomccsd_2pdm_pphh_zvec_mo.F back to 8-byte integer blas calls [2] 17993 converting eomccsd_1pdm_hp_mo.F back to 8-byte integer blas calls [3] 17994 converting eomccsd_1pdm_ph_mo.F back to 8-byte integer blas calls [4] 17995 [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] 29353 converting eomccsd_x2_grad.F back to 8-byte integer blas calls [2] 29354 converting tce_eom_xdiagon_grad.F back to 8-byte integer blas calls [3] 29355 converting tce_cisdt_denominator.F back to 8-byte integer blas calls [4] 29357 [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] 40503 converting cisdtq_2pdm_hphp_mo.F back to 8-byte integer blas calls [2] 40504 converting cisdtq_2pdm_hppp_mo.F back to 8-byte integer blas calls [3] 40505 converting cisdtq_2pdm_pphp_mo.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 cisdtq_2pdm_pppp_mo.F back to 8-byte integer blas calls [1] 42571 converting mp4_1pdm_pp_mo_III_b.F back to 8-byte integer blas calls [2] 42572 converting tce_cis_denominator.F back to 8-byte integer blas calls [3] 42573 converting cisd_1pdm_hh_mo.F back to 8-byte integer blas calls [4] 42574 [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] 43020 converting ccsdt_2pdm_hhhp_mo.F back to 8-byte integer blas calls [2] 43021 converting mp3_1pdm_hh_mo.F back to 8-byte integer blas calls [3] 43022 converting ccsdt_2pdm_pphh_mo.F back to 8-byte integer blas calls [4] 43023 [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] 58250 converting tce_mp4_t24.F back to 8-byte integer blas calls [2] 58252 converting cis_x1.F back to 8-byte integer blas calls [3] 58253 converting cisd_2pdm_hhhh_mo.F back to 8-byte integer blas calls [4] 58254 [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] 60500 converting cisd_2pdm_hphp_mo.F back to 8-byte integer blas calls [2] 60501 converting cisdtq_1pdm_hh_mo.F back to 8-byte integer blas calls [3] 60502 converting cisd_2pdm_hppp_mo.F back to 8-byte integer blas calls [4] 60503 [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] 61058 converting cis_1pdm_pp_mo.F back to 8-byte integer blas calls [2] 61059 converting cisd_2pdm_pppp_mo.F back to 8-byte integer blas calls [3] 61060 converting ccsdt_1pdm_pp_mo.F back to 8-byte integer blas calls [4] 61061 [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] 61340 converting mp4_2pdm_hphh_mo.F back to 8-byte integer blas calls [2] 61342 converting mp2_1pdm_hh_mo.F back to 8-byte integer blas calls [3] 61343 converting mp4_2pdm_pphh_mo.F back to 8-byte integer blas calls [4] 61344 [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] 63379 converting ccsdtq_2pdm_hhhp_mo.F back to 8-byte integer blas calls [2] 63380 converting cis_2pdm_hphp_mo.F back to 8-byte integer blas calls [3] 63381 converting tce_cisd_denominator.F back to 8-byte integer blas calls [4] 63382 [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] 30726 converting cisdt_2pdm_hhhh_mo.F back to 8-byte integer blas calls [2] 30727 converting mp4_1pdm_hh_mo_III_a.F back to 8-byte integer blas calls [3] 30728 converting ccsdtq_1pdm_pp_mo.F back to 8-byte integer blas calls [4] 30729 [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] 6339 converting btrans1.F back to 8-byte integer blas calls [2] 6340 converting cisdt_2pdm_hppp_mo.F back to 8-byte integer blas calls [3] 6341 converting cisdt_2pdm_pphp_mo.F back to 8-byte integer blas calls [4] 6342 [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] 7051 converting cisdtq_2pdm_hphh_mo.F back to 8-byte integer blas calls [2] 7052 converting cisdtq_2pdm_hhhp_mo.F back to 8-byte integer blas calls [3] 7053 converting wdm_hp_mo_b_d_a.F back to 8-byte integer blas calls [4] 7054 [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] 7864 converting cisdtq_2pdm_hhpp_mo.F back to 8-byte integer blas calls [2] 7867 converting mp4_1pdm_hh_mo_III_b.F back to 8-byte integer blas calls [3] 7868 converting btrans2.F back to 8-byte integer blas calls [4] 7869 [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] 9643 converting wdm_hp_mo_b_d_b.F back to 8-byte integer blas calls [2] 9644 converting ccsdt_2pdm_hphp_mo.F back to 8-byte integer blas calls [3] 9645 converting cisd_1pdm_pp_mo.F back to 8-byte integer blas calls [4] 9646 [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] 12178 converting ccsdt_2pdm_pphp_mo.F back to 8-byte integer blas calls [2] 12179 converting mp3_1pdm_pp_mo.F back to 8-byte integer blas calls [3] 12180 converting ccsdt_2pdm_pppp_mo.F back to 8-byte integer blas calls [4] 12185 [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] 16996 converting cisd_2pdm_hphh_mo.F back to 8-byte integer blas calls [2] 16998 converting cisd_2pdm_hhhp_mo.F back to 8-byte integer blas calls [3] 16999 converting cis_1pdm_hh_mo.F back to 8-byte integer blas calls [4] 17000 [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] 17445 converting cisd_2pdm_hhpp_mo.F back to 8-byte integer blas calls [2] 17446 converting wdm_hp_mo_b_e_a.F back to 8-byte integer blas calls [3] 17447 converting ccsdt_1pdm_hh_mo.F back to 8-byte integer blas calls [4] 17453 [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] 18378 converting cisdt_1pdm_hh_mo.F back to 8-byte integer blas calls [2] 18379 converting cisdtq_1pdm_pp_mo.F back to 8-byte integer blas calls [3] 18385 converting ccsdt_1pdm_ph_mo.F back to 8-byte integer blas calls [4] 18386 [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] 21785 converting cis_xdiagon.F back to 8-byte integer blas calls [2] 21786 converting mp4_2pdm_hphp_mo.F back to 8-byte integer blas calls [3] 21787 converting ccsdtq_2pdm_hhhh_mo.F back to 8-byte integer blas calls [4] 21788 [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] 26903 converting mp2_1pdm_pp_mo.F back to 8-byte integer blas calls [2] 26904 converting mp3_2pdm_hhhh_mo.F back to 8-byte integer blas calls [3] 26905 converting ccsdtq_1pdm_hh_mo.F back to 8-byte integer blas calls [4] 26906 [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] 27654 converting ccsdtq_2pdm_hphp_mo.F back to 8-byte integer blas calls [2] 27655 converting wdm_hp_mo_b_e_b.F back to 8-byte integer blas calls [3] 27656 converting ccsdtq_1pdm_ph_mo.F back to 8-byte integer blas calls [4] 27657 [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] 36588 converting ccsdtq_2pdm_pphp_mo.F back to 8-byte integer blas calls [2] 36590 converting cisdt_2pdm_hphh_mo.F back to 8-byte integer blas calls [3] 36592 converting cisdt_2pdm_hhhp_mo.F back to 8-byte integer blas calls [4] 36593 [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] 47931 converting ccsdtq_2pdm_pppp_mo.F back to 8-byte integer blas calls [2] 47933 converting cisdt_2pdm_pphh_mo.F back to 8-byte integer blas calls [3] 47934 converting cisdt_2pdm_hhpp_mo.F back to 8-byte integer blas calls [4] 47935 [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] 51554 converting mp3_2pdm_pppp_mo.F back to 8-byte integer blas calls [2] 51555 [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] 58154 converting ccsd_t1.F back to 8-byte integer blas calls [2] 58155 converting ccsd_t2.F back to 8-byte integer blas calls [3] 58156 converting cc2_t1.F back to 8-byte integer blas calls [4] 58157 [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] 971 converting ccsd_1prdm_hh.F back to 8-byte integer blas calls [2] 972 converting ccsd_1prdm_hp.F back to 8-byte integer blas calls [3] 974 converting ccsd_1prdm_ph.F back to 8-byte integer blas calls [4] 989 [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] 3934 converting ccsd_1prdm.F back to 8-byte integer blas calls [2] 3935 converting icsd_t1.F back to 8-byte integer blas calls [3] 3937 converting icsd_t2.F back to 8-byte integer blas calls [4] 3938 [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] 13868 [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] 22096 converting ccsd_lambda1_1.F back to 8-byte integer blas calls [2] 22103 converting ccsd_lambda1_2.F back to 8-byte integer blas calls [3] 22104 converting ccsd_lambda2.F back to 8-byte integer blas calls [4] 22107 [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] 32730 [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] 50516 converting eomccsd_x2.F back to 8-byte integer blas calls [2] 50518 converting eomccsd_y1.F back to 8-byte integer blas calls [3] 50520 converting eomccsd_y2.F back to 8-byte integer blas calls [4] 50521 [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] 62166 converting eomccsd_density1.F back to 8-byte integer blas calls [2] 62167 converting cc2_x1.F back to 8-byte integer blas calls [3] 62168 converting cc2_x2.F back to 8-byte integer blas calls [4] 62169 [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] 3040 converting eomccsd_1prdm_hp.F back to 8-byte integer blas calls [2] 3041 converting eomccsd_1prdm_ph.F back to 8-byte integer blas calls [3] 3042 converting eomccsd_1prdm_pp.F back to 8-byte integer blas calls [4] 3044 [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] 6628 converting eomccsd_x1_old.F back to 8-byte integer blas calls [2] 6631 converting eomccsd_x2_old.F back to 8-byte integer blas calls [3] 6632 converting eomicsd_x1.F back to 8-byte integer blas calls [4] 6633 [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] 14675 [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] 29208 converting ccsd_t_singles.F back to 8-byte integer blas calls [2] 29209 converting ccsd_t_doubles_l.F back to 8-byte integer blas calls [3] 29210 converting ccsd_t_singles_l.F back to 8-byte integer blas calls [4] 29211 [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] 29547 converting ccsd2_q_left.F back to 8-byte integer blas calls [2] 29548 converting ccsd2_q_right.F back to 8-byte integer blas calls [3] 29549 converting ccsd2_t_left.F back to 8-byte integer blas calls [4] 29550 [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] 32002 converting ccsdt2_q_right.F back to 8-byte integer blas calls [2] 32003 converting cr_ccsd_t_D.F back to 8-byte integer blas calls [3] 32004 converting cr_ccsd_t_E.F back to 8-byte integer blas calls [4] 32005 [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] 40454 converting lr_ccsd_tq.F back to 8-byte integer blas calls [2] 40455 converting cr_qcisd_t.F back to 8-byte integer blas calls [3] 40456 converting m2_dot_m1t1.F back to 8-byte integer blas calls [4] 40457 [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] 43604 converting ccsd_t_doubles_l_6dts.F back to 8-byte integer blas calls [2] 43605 converting ccsd_t.F back to 8-byte integer blas calls [3] 43606 [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] 46961 converting c2_c2.F back to 8-byte integer blas calls [2] 46962 converting c2excit2.F back to 8-byte integer blas calls [3] 46963 converting cr_eomccsd_t_n2_1_1_2_2.F back to 8-byte integer blas calls [4] 46964 [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] 47642 converting cr_eomccsd_t_n2_1_1_3.F back to 8-byte integer blas calls [2] 47643 converting cr_eomccsd_t_n2_1_1.F back to 8-byte integer blas calls [3] 47645 converting cr_eomccsd_t_n2_1_2.F back to 8-byte integer blas calls [4] 47646 [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] 47832 converting cr_eomccsd_t_n2_1_3_2_1.F back to 8-byte integer blas calls [2] 47833 converting cr_eomccsd_t_n2_1_3_2.F back to 8-byte integer blas calls [3] 47834 converting cr_eomccsd_t_n2_1_3_3.F back to 8-byte integer blas calls [4] 47835 [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] 48084 converting cr_eomccsd_t_n2_1_4_1.F back to 8-byte integer blas calls [2] 48085 converting cr_eomccsd_t_n2_1_4.F back to 8-byte integer blas calls [3] 48086 converting cr_eomccsd_t_n2_1_5_1.F back to 8-byte integer blas calls [4] 48087 [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] 48301 converting cr_eomccsd_t_n2_1_6_1.F back to 8-byte integer blas calls [2] 48302 converting cr_eomccsd_t_n2_1_6.F back to 8-byte integer blas calls [3] 48303 converting cr_eomccsd_t_n2_1_7_2.F back to 8-byte integer blas calls [4] 48304 [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] 48536 converting cr_eomccsd_t_n2_1_8_2.F back to 8-byte integer blas calls [2] 48537 converting cr_eomccsd_t_n2_1_8.F back to 8-byte integer blas calls [3] 48538 converting cr_eomccsd_t_n2_1_9.F back to 8-byte integer blas calls [4] 48539 [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] 48809 converting cr_eomccsd_t_n2_2_1_2.F back to 8-byte integer blas calls [2] 48810 converting cr_eomccsd_t_n2_2_1_3.F back to 8-byte integer blas calls [3] 48811 converting cr_eomccsd_t_n2_2_1_4.F back to 8-byte integer blas calls [4] 48812 [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] 49136 converting cr_eomccsd_t_n2_2.F back to 8-byte integer blas calls [2] 49137 converting cr_eomccsd_t_n2_3_1.F back to 8-byte integer blas calls [3] 49139 converting cr_eomccsd_t_n2_3_2_1.F back to 8-byte integer blas calls [4] 49140 [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] 49295 converting cr_eomccsd_t_n2_3_3_2.F back to 8-byte integer blas calls [2] 49296 converting cr_eomccsd_t_n2_3_3.F back to 8-byte integer blas calls [3] 49297 converting cr_eomccsd_t_n2_3_4.F back to 8-byte integer blas calls [4] 49298 [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] 49488 converting cr_eomccsd_t_n2_4_1_1.F back to 8-byte integer blas calls [2] 49491 converting cr_eomccsd_t_n2_4_1_2_1.F back to 8-byte integer blas calls [3] 49492 converting cr_eomccsd_t_n2_4_1_2.F back to 8-byte integer blas calls [4] 49493 [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] 49659 converting cr_eomccsd_t_n2_4_1_3.F back to 8-byte integer blas calls [2] 49660 converting cr_eomccsd_t_n2_4_1_4.F back to 8-byte integer blas calls [3] 49661 converting cr_eomccsd_t_n2_4_1.F back to 8-byte integer blas calls [4] 49662 [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] 49986 converting cr_eomccsd_t_n2_4_2_2.F back to 8-byte integer blas calls [2] 49987 converting cr_eomccsd_t_n2_4_2_3.F back to 8-byte integer blas calls [3] 49988 converting cr_eomccsd_t_n2_4_2_4.F back to 8-byte integer blas calls [4] 49990 [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] 50278 converting cr_eomccsd_t_n2_4.F back to 8-byte integer blas calls [2] 50279 converting cr_eomccsd_t_n2_5_2_2_2.F back to 8-byte integer blas calls [3] 50281 converting cr_eomccsd_t_n2_5_2_2.F back to 8-byte integer blas calls [4] 50282 [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] 50552 converting cr_eomccsd_t_n2_5_2.F back to 8-byte integer blas calls [2] 50553 converting cr_eomccsd_t_n2_5_3_2.F back to 8-byte integer blas calls [3] 50554 converting cr_eomccsd_t_n2_5_3.F back to 8-byte integer blas calls [4] 50559 [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] 50719 converting cr_eomccsd_t_n2_5_4.F back to 8-byte integer blas calls [2] 50721 converting cr_eomccsd_t_n2_5_5_2.F back to 8-byte integer blas calls [3] 50723 converting cr_eomccsd_t_n2_5_5.F back to 8-byte integer blas calls [4] 50724 [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] 51113 converting cr_eomccsd_t_n2_5.F back to 8-byte integer blas calls [2] 51114 converting cr_eomccsd_t_n2_6_2.F back to 8-byte integer blas calls [3] 51115 converting cr_eomccsd_t_n2_6_3_2.F back to 8-byte integer blas calls [4] 51116 [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] 51411 converting cr_eomccsd_t_n2_6_4.F back to 8-byte integer blas calls [2] 51413 converting cr_eomccsd_t_n2_6.F back to 8-byte integer blas calls [3] 51414 converting cr_s_m3.F back to 8-byte integer blas calls [4] 51415 [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] 51742 converting q3rexpt2.F back to 8-byte integer blas calls [2] 51743 converting t2t12.F back to 8-byte integer blas calls [3] 51744 converting creomccsd_t_n2_mem.F back to 8-byte integer blas calls [4] 51745 [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] 59786 converting q3rexpt2_6dts.F back to 8-byte integer blas calls [2] 59787 converting creomccsd_t_n2_mem_6dts.F back to 8-byte integer blas calls [3] 59788 converting cr_eomccsd_t_6dts.F back to 8-byte integer blas calls [4] 59789 [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] 61047 converting cr_ccsd_t_E_6dts.F back to 8-byte integer blas calls [2] 61049 converting cr_eomccsd_t_6dts_d4d5_parallel.F back to 8-byte integer blas calls [3] 61050 [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] 3471 converting c1v.F back to 8-byte integer blas calls [2] 3472 [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] 7352 converting ccd_t2.F back to 8-byte integer blas calls [2] 7353 [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] 12558 converting lccd_t2.F back to 8-byte integer blas calls [2] 12559 [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] 19285 converting lccsd_t1.F back to 8-byte integer blas calls [2] 19286 converting lccsd_t2.F back to 8-byte integer blas calls [3] 19287 [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] 27762 converting qcisd_t1.F back to 8-byte integer blas calls [2] 27763 converting qcisd_t2.F back to 8-byte integer blas calls [3] 27764 [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] 35694 converting ccsdt1b_t3.F back to 8-byte integer blas calls [2] 35695 converting ccsdt2_t3.F back to 8-byte integer blas calls [3] 35696 converting ccsdt3_t3.F back to 8-byte integer blas calls [4] 35697 [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] 44012 converting eomcc3_x3.F back to 8-byte integer blas calls [2] 44013 converting eomccsdt3_x3.F back to 8-byte integer blas calls [3] 44014 converting cc3_lambda3.F back to 8-byte integer blas calls [4] 44029 [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] 55032 converting mbpt1_t2.F back to 8-byte integer blas calls [2] 55033 [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] 58248 converting mbpt2_t1.F back to 8-byte integer blas calls [2] 58249 converting mbpt2_t2_b.F back to 8-byte integer blas calls [3] 58250 converting mbpt2_t2.F back to 8-byte integer blas calls [4] 58251 [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] 59024 converting mbpt2_t1_sd.F back to 8-byte integer blas calls [2] 59025 converting mbpt2_t2_sd.F back to 8-byte integer blas calls [3] 59026 converting mbpt2_t4.F back to 8-byte integer blas calls [4] 59027 [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] 62549 converting mbpt3_t1.F back to 8-byte integer blas calls [2] 62550 converting mbpt3_t2.F back to 8-byte integer blas calls [3] 62551 converting mbpt3_t1_sd.F back to 8-byte integer blas calls [4] 62552 [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] 320 [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] 5173 [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] 8355 converting cis_xdiagon.F back to 8-byte integer blas calls [2] 8357 [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] 11408 converting cisd_c2.F back to 8-byte integer blas calls [2] 11409 converting cisd_e.F back to 8-byte integer blas calls [3] 11410 [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] 16088 converting cisdt_c2.F back to 8-byte integer blas calls [2] 16089 converting cisdt_c3.F back to 8-byte integer blas calls [3] 16090 converting cisdt_e.F back to 8-byte integer blas calls [4] 16091 [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] 20752 converting cisdtq_c2.F back to 8-byte integer blas calls [2] 20754 converting cisdtq_c3.F back to 8-byte integer blas calls [3] 20755 converting cisdtq_c4.F back to 8-byte integer blas calls [4] 20756 [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] 23329 [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] 28296 converting ccsd_t1a.F back to 8-byte integer blas calls [2] 28297 converting ccsd_t2a.F back to 8-byte integer blas calls [3] 28298 converting diag1_act2.F back to 8-byte integer blas calls [4] 28299 [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] 36187 [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] 40154 converting eomccsd_x2a.F back to 8-byte integer blas calls [2] 40155 converting q2na_hc1.F back to 8-byte integer blas calls [3] 40156 [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] 57156 converting q3rexpt2_act.F back to 8-byte integer blas calls [2] 57157 converting cr_ccsd_t_N_act.F back to 8-byte integer blas calls [3] 57158 converting creomccsd_t_n2_act_mem.F back to 8-byte integer blas calls [4] 57160 [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] 11748 converting ccsd_t_d_act.F back to 8-byte integer blas calls [2] 11749 converting cr_eomccsd_t_act.F back to 8-byte integer blas calls [3] 11751 converting cr_eomccsd_tasim.F back to 8-byte integer blas calls [4] 11752 [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] 20222 converting eaccsd_x2.F back to 8-byte integer blas calls [2] 20223 converting tce_print_eax1.F back to 8-byte integer blas calls [3] 20224 converting tce_print_eax2.F back to 8-byte integer blas calls [4] 20225 [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] 26178 converting tce_eax2_offset.F back to 8-byte integer blas calls [2] 26179 converting tce_eom_eaxguess.F back to 8-byte integer blas calls [3] 26180 converting tce_jacobi_eax1.F back to 8-byte integer blas calls [4] 26181 [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] 26429 [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] 28989 converting ipccsd_x2.F back to 8-byte integer blas calls [2] 28991 converting tce_print_ipx1.F back to 8-byte integer blas calls [3] 28992 converting tce_print_ipx2.F back to 8-byte integer blas calls [4] 28993 [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] 34180 converting tce_ipx2_offset.F back to 8-byte integer blas calls [2] 34181 converting tce_eom_ipxguess.F back to 8-byte integer blas calls [3] 34182 converting tce_jacobi_ipx1.F back to 8-byte integer blas calls [4] 34183 [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] 34375 [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] 36921 converting ccsdt_t1a.F back to 8-byte integer blas calls [2] 36922 converting ccsdt_t1.F back to 8-byte integer blas calls [3] 36923 converting ccsdt_t2a.F back to 8-byte integer blas calls [4] 36924 [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] 40564 converting ccsdt_t3_1_2_2_2.F back to 8-byte integer blas calls [2] 40565 converting ccsdt_t3_1_2_2.F back to 8-byte integer blas calls [3] 40566 converting ccsdt_t3_1_2_3.F back to 8-byte integer blas calls [4] 40568 [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] 43853 converting ccsdt_t3_1_3_2.F back to 8-byte integer blas calls [2] 43854 converting ccsdt_t3_1_3.F back to 8-byte integer blas calls [3] 43855 converting ccsdt_t3_1_4_2.F back to 8-byte integer blas calls [4] 43856 [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] 43970 converting ccsdt_t3_1_5_2.F back to 8-byte integer blas calls [2] 43971 converting ccsdt_t3_1_5.F back to 8-byte integer blas calls [3] 43972 converting ccsdt_t3_1_6.F back to 8-byte integer blas calls [4] 43973 [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] 44161 converting ccsdt_t3_1.F back to 8-byte integer blas calls [2] 44163 converting ccsdt_t3_2_2.F back to 8-byte integer blas calls [3] 44164 converting ccsdt_t3_2_3_2.F back to 8-byte integer blas calls [4] 44166 [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] 44299 converting ccsdt_t3_2_4.F back to 8-byte integer blas calls [2] 44300 converting ccsdt_t3_2_5.F back to 8-byte integer blas calls [3] 44301 converting ccsdt_t3_2.F back to 8-byte integer blas calls [4] 44302 [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] 44518 converting ccsdt_t3_3_2.F back to 8-byte integer blas calls [2] 44519 converting ccsdt_t3_3_3.F back to 8-byte integer blas calls [3] 44520 converting ccsdt_t3_3_4.F back to 8-byte integer blas calls [4] 44521 [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] 44674 converting ccsdt_t3_4_2.F back to 8-byte integer blas calls [2] 44675 converting ccsdt_t3_4_3.F back to 8-byte integer blas calls [3] 44677 converting ccsdt_t3_4.F back to 8-byte integer blas calls [4] 44692 [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] 44845 converting ccsdt_t3_5_2.F back to 8-byte integer blas calls [2] 44846 converting ccsdt_t3_5_3.F back to 8-byte integer blas calls [3] 44847 converting ccsdt_t3_5.F back to 8-byte integer blas calls [4] 44848 [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] 45027 converting ccsdt_t3_6_3.F back to 8-byte integer blas calls [2] 45028 converting ccsdt_t3_6.F back to 8-byte integer blas calls [3] 45029 converting ccsdt_t3_7.F back to 8-byte integer blas calls [4] 45030 [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] 45248 converting ccsdt_t3_8_1_2.F back to 8-byte integer blas calls [2] 45249 converting ccsdt_t3_8_1_3.F back to 8-byte integer blas calls [3] 45250 converting ccsdt_t3_8_1_4.F back to 8-byte integer blas calls [4] 45252 [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] 45380 converting ccsdt_t3_8_2_2.F back to 8-byte integer blas calls [2] 45381 converting ccsdt_t3_8_2.F back to 8-byte integer blas calls [3] 45382 converting ccsdt_t3_8_3_2.F back to 8-byte integer blas calls [4] 45383 [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] 45478 converting ccsdt_t3_8_4.F back to 8-byte integer blas calls [2] 45479 converting ccsdt_t3_8_5_1.F back to 8-byte integer blas calls [3] 45480 converting ccsdt_t3_8_5.F back to 8-byte integer blas calls [4] 45481 [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] 45752 converting ccsdt_t3_9_1.F back to 8-byte integer blas calls [2] 45767 converting ccsdt_t3_9.F back to 8-byte integer blas calls [3] 45769 converting ccsdt_t3a_1_2_2_2.F back to 8-byte integer blas calls [4] 45770 [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] 45929 converting ccsdt_t3a_1_2_3.F back to 8-byte integer blas calls [2] 45930 converting ccsdt_t3a_1_2.F back to 8-byte integer blas calls [3] 45931 converting ccsdt_t3a_1_3_2.F back to 8-byte integer blas calls [4] 45932 [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] 46108 converting ccsdt_t3a_1_4_2.F back to 8-byte integer blas calls [2] 46110 converting ccsdt_t3a_1_4.F back to 8-byte integer blas calls [3] 46111 converting ccsdt_t3a_1_5_2.F back to 8-byte integer blas calls [4] 46112 [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] 46264 converting ccsdt_t3a_1_6.F back to 8-byte integer blas calls [2] 46266 converting ccsdt_t3a_1_7.F back to 8-byte integer blas calls [3] 46267 converting ccsdt_t3a_1.F back to 8-byte integer blas calls [4] 46268 [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] 46530 converting ccsdt_t3a_2_3_2.F back to 8-byte integer blas calls [2] 46533 converting ccsdt_t3a_2_3.F back to 8-byte integer blas calls [3] 46534 converting ccsdt_t3a_2_4.F back to 8-byte integer blas calls [4] 46535 [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] 46677 converting ccsdt_t3a_2.F back to 8-byte integer blas calls [2] 46678 converting ccsdt_t3a_3_2_2.F back to 8-byte integer blas calls [3] 46679 converting ccsdt_t3a_3_2.F back to 8-byte integer blas calls [4] 46680 [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] 46940 converting ccsdt_t3a_3_4.F back to 8-byte integer blas calls [2] 46941 converting ccsdt_t3a_3.F back to 8-byte integer blas calls [3] 46942 converting ccsdt_t3a_4_2.F back to 8-byte integer blas calls [4] 46943 [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] 47127 converting ccsdt_t3a_4.F back to 8-byte integer blas calls [2] 47128 converting ccsdt_t3a_5_2_2.F back to 8-byte integer blas calls [3] 47129 converting ccsdt_t3a_5_2.F back to 8-byte integer blas calls [4] 47130 [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] 47309 converting ccsdt_t3a_5.F back to 8-byte integer blas calls [2] 47310 converting ccsdt_t3a_6_2.F back to 8-byte integer blas calls [3] 47311 converting ccsdt_t3a_6_3.F back to 8-byte integer blas calls [4] 47312 [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] 47548 converting ccsdt_t3a_7.F back to 8-byte integer blas calls [2] 47549 converting ccsdt_t3a_8_1_2_2.F back to 8-byte integer blas calls [3] 47550 converting ccsdt_t3a_8_1_2.F back to 8-byte integer blas calls [4] 47551 [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] 47720 converting ccsdt_t3a_8_1_4.F back to 8-byte integer blas calls [2] 47721 converting ccsdt_t3a_8_1.F back to 8-byte integer blas calls [3] 47722 converting ccsdt_t3a_8_2_2.F back to 8-byte integer blas calls [4] 47723 [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] 47941 converting ccsdt_t3a_8_3_2.F back to 8-byte integer blas calls [2] 47942 converting ccsdt_t3a_8_3.F back to 8-byte integer blas calls [3] 47943 converting ccsdt_t3a_8_4.F back to 8-byte integer blas calls [4] 47944 [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] 48143 converting ccsdt_t3a_8_5.F back to 8-byte integer blas calls [2] 48144 converting ccsdt_t3a_8.F back to 8-byte integer blas calls [3] 48145 converting ccsdt_t3a_9_1.F back to 8-byte integer blas calls [4] 48148 [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] 48280 [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] 50725 converting ccsdt_lambda1_10_1.F back to 8-byte integer blas calls [2] 50726 converting ccsdt_lambda1_10_2.F back to 8-byte integer blas calls [3] 50727 converting ccsdt_lambda1_10_3.F back to 8-byte integer blas calls [4] 50731 [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] 53080 converting ccsdt_lambda1_11_1.F back to 8-byte integer blas calls [2] 53081 converting ccsdt_lambda1_11_2.F back to 8-byte integer blas calls [3] 53082 converting ccsdt_lambda1_11_3.F back to 8-byte integer blas calls [4] 53083 [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] 53283 converting ccsdt_lambda1_12_1.F back to 8-byte integer blas calls [2] 53284 converting ccsdt_lambda1_12_2.F back to 8-byte integer blas calls [3] 53285 converting ccsdt_lambda1_12_3.F back to 8-byte integer blas calls [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_12.F back to 8-byte integer blas calls [1] 53501 converting ccsdt_lambda1_13_1.F back to 8-byte integer blas calls [2] 53504 converting ccsdt_lambda1_13_2.F back to 8-byte integer blas calls [3] 53505 converting ccsdt_lambda1_13.F back to 8-byte integer blas calls [4] 53508 [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] 53777 converting ccsdt_lambda1_14_2.F back to 8-byte integer blas calls [2] 53778 converting ccsdt_lambda1_14_3_1.F back to 8-byte integer blas calls [3] 53779 converting ccsdt_lambda1_14_3_2.F back to 8-byte integer blas calls [4] 53780 [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] 54001 converting ccsdt_lambda1_14_3_3_2.F back to 8-byte integer blas calls [2] 54002 converting ccsdt_lambda1_14_3_3.F back to 8-byte integer blas calls [3] 54003 converting ccsdt_lambda1_14_3.F back to 8-byte integer blas calls [4] 54004 [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] 54257 converting ccsdt_lambda1_14_4.F back to 8-byte integer blas calls [2] 54258 converting ccsdt_lambda1_14_5_1.F back to 8-byte integer blas calls [3] 54259 converting ccsdt_lambda1_14_5_2.F back to 8-byte integer blas calls [4] 54261 [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] 54439 converting ccsdt_lambda1_14_6_1.F back to 8-byte integer blas calls [2] 54441 converting ccsdt_lambda1_14_6.F back to 8-byte integer blas calls [3] 54442 converting ccsdt_lambda1_14_7_1.F back to 8-byte integer blas calls [4] 54443 [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] 54806 converting ccsdt_lambda1_14_8_1.F back to 8-byte integer blas calls [2] 54807 converting ccsdt_lambda1_14_8.F back to 8-byte integer blas calls [3] 54808 converting ccsdt_lambda1_14_9_1_1.F back to 8-byte integer blas calls [4] 54809 [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] 55047 converting ccsdt_lambda1_14_9.F back to 8-byte integer blas calls [2] 55048 converting ccsdt_lambda1_14.F back to 8-byte integer blas calls [3] 55049 converting ccsdt_lambda1_15_1.F back to 8-byte integer blas calls [4] 55050 [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] 55192 converting ccsdt_lambda1_15_3_1.F back to 8-byte integer blas calls [2] 55193 converting ccsdt_lambda1_15_3.F back to 8-byte integer blas calls [3] 55194 converting ccsdt_lambda1_15_4_1.F back to 8-byte integer blas calls [4] 55195 [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] 55448 converting ccsdt_lambda1_15.F back to 8-byte integer blas calls [2] 55450 converting ccsdt_lambda1_16_1.F back to 8-byte integer blas calls [3] 55451 converting ccsdt_lambda1_16_2.F back to 8-byte integer blas calls [4] 55452 [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] 55637 converting ccsdt_lambda1_16_3_2.F back to 8-byte integer blas calls [2] 55638 converting ccsdt_lambda1_16_3.F back to 8-byte integer blas calls [3] 55639 converting ccsdt_lambda1_16_4_1.F back to 8-byte integer blas calls [4] 55640 [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] 55802 converting ccsdt_lambda1_16.F back to 8-byte integer blas calls [2] 55803 converting ccsdt_lambda1_17_1.F back to 8-byte integer blas calls [3] 55804 converting ccsdt_lambda1_17.F back to 8-byte integer blas calls [4] 55805 [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] 56004 converting ccsdt_lambda1_18_1_3.F back to 8-byte integer blas calls [2] 56005 converting ccsdt_lambda1_18_1_4.F back to 8-byte integer blas calls [3] 56006 converting ccsdt_lambda1_18_1.F back to 8-byte integer blas calls [4] 56007 [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] 56241 converting ccsdt_lambda1_18_2.F back to 8-byte integer blas calls [2] 56242 converting ccsdt_lambda1_18_3_2.F back to 8-byte integer blas calls [3] 56244 converting ccsdt_lambda1_18_3.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 ccsdt_lambda1_18_4.F back to 8-byte integer blas calls [1] 56437 converting ccsdt_lambda1_18_5_1.F back to 8-byte integer blas calls [2] 56438 converting ccsdt_lambda1_18_5.F back to 8-byte integer blas calls [3] 56439 converting ccsdt_lambda1_18_6_1_1.F back to 8-byte integer blas calls [4] 56440 [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] 56688 converting ccsdt_lambda1_18_6.F back to 8-byte integer blas calls [2] 56689 converting ccsdt_lambda1_18.F back to 8-byte integer blas calls [3] 56691 converting ccsdt_lambda1_19_1.F back to 8-byte integer blas calls [4] 56692 [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] 56937 converting ccsdt_lambda1_20_1_1.F back to 8-byte integer blas calls [2] 56938 converting ccsdt_lambda1_20_1.F back to 8-byte integer blas calls [3] 56939 converting ccsdt_lambda1_20.F back to 8-byte integer blas calls [4] 56940 [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] 57069 converting ccsdt_lambda1_21_1.F back to 8-byte integer blas calls [2] 57070 converting ccsdt_lambda1_21_2_1_1.F back to 8-byte integer blas calls [3] 57072 converting ccsdt_lambda1_21_2_1.F back to 8-byte integer blas calls [4] 57073 [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] 57251 converting ccsdt_lambda1_21.F back to 8-byte integer blas calls [2] 57252 converting ccsdt_lambda1_2_2_2.F back to 8-byte integer blas calls [3] 57253 converting ccsdt_lambda1_2_2.F back to 8-byte integer blas calls [4] 57254 [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] 57389 converting ccsdt_lambda1_2_4.F back to 8-byte integer blas calls [2] 57390 converting ccsdt_lambda1_2.F back to 8-byte integer blas calls [3] 57391 converting ccsdt_lambda1_3_2.F back to 8-byte integer blas calls [4] 57392 [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] 57587 converting ccsdt_lambda1_3_3.F back to 8-byte integer blas calls [2] 57588 converting ccsdt_lambda1_3.F back to 8-byte integer blas calls [3] 57589 converting ccsdt_lambda1_4.F back to 8-byte integer blas calls [4] 57590 [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] 57726 converting ccsdt_lambda1_5_2_2.F back to 8-byte integer blas calls [2] 57727 converting ccsdt_lambda1_5_2_3.F back to 8-byte integer blas calls [3] 57728 converting ccsdt_lambda1_5_2_4.F back to 8-byte integer blas calls [4] 57729 [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] 57866 converting ccsdt_lambda1_5_3_2.F back to 8-byte integer blas calls [2] 57867 converting ccsdt_lambda1_5_3.F back to 8-byte integer blas calls [3] 57868 converting ccsdt_lambda1_5_4.F back to 8-byte integer blas calls [4] 57869 [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] 58002 converting ccsdt_lambda1_5_5.F back to 8-byte integer blas calls [2] 58003 converting ccsdt_lambda1_5_6_2.F back to 8-byte integer blas calls [3] 58004 converting ccsdt_lambda1_5_6.F back to 8-byte integer blas calls [4] 58005 [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] 58159 converting ccsdt_lambda1_5_8.F back to 8-byte integer blas calls [2] 58160 converting ccsdt_lambda1_5.F back to 8-byte integer blas calls [3] 58161 converting ccsdt_lambda1_6_2_2_2.F back to 8-byte integer blas calls [4] 58162 [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] 58328 converting ccsdt_lambda1_6_2_3.F back to 8-byte integer blas calls [2] 58329 converting ccsdt_lambda1_6_2.F back to 8-byte integer blas calls [3] 58330 converting ccsdt_lambda1_6_3_2.F back to 8-byte integer blas calls [4] 58331 [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] 58523 converting ccsdt_lambda1_6_4_2.F back to 8-byte integer blas calls [2] 58524 converting ccsdt_lambda1_6_4.F back to 8-byte integer blas calls [3] 58525 converting ccsdt_lambda1_6_5_2.F back to 8-byte integer blas calls [4] 58526 [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] 58652 converting ccsdt_lambda1_6_6.F back to 8-byte integer blas calls [2] 58653 converting ccsdt_lambda1_6_7.F back to 8-byte integer blas calls [3] 58654 converting ccsdt_lambda1_6.F back to 8-byte integer blas calls [4] 58655 [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] 58845 converting ccsdt_lambda1_7.F back to 8-byte integer blas calls [2] 58846 converting ccsdt_lambda1_8_10_2.F back to 8-byte integer blas calls [3] 58847 converting ccsdt_lambda1_8_10.F back to 8-byte integer blas calls [4] 58848 [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] 59031 converting ccsdt_lambda1_8_12_1.F back to 8-byte integer blas calls [2] 59033 converting ccsdt_lambda1_8_12_2.F back to 8-byte integer blas calls [3] 59034 converting ccsdt_lambda1_8_12_3.F back to 8-byte integer blas calls [4] 59035 [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] 59254 converting ccsdt_lambda1_8_13_1.F back to 8-byte integer blas calls [2] 59255 converting ccsdt_lambda1_8_13_2.F back to 8-byte integer blas calls [3] 59256 converting ccsdt_lambda1_8_13_3.F back to 8-byte integer blas calls [4] 59257 [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] 59393 converting ccsdt_lambda1_8_14_1.F back to 8-byte integer blas calls [2] 59394 converting ccsdt_lambda1_8_14_2.F back to 8-byte integer blas calls [3] 59395 converting ccsdt_lambda1_8_14.F back to 8-byte integer blas calls [4] 59396 [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] 59584 converting ccsdt_lambda1_8_2_2_2.F back to 8-byte integer blas calls [2] 59586 converting ccsdt_lambda1_8_2_2_3.F back to 8-byte integer blas calls [3] 59587 converting ccsdt_lambda1_8_2_2.F back to 8-byte integer blas calls [4] 59588 [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] 59746 converting ccsdt_lambda1_8_2_3.F back to 8-byte integer blas calls [2] 59747 converting ccsdt_lambda1_8_2_4.F back to 8-byte integer blas calls [3] 59748 converting ccsdt_lambda1_8_2_5_1.F back to 8-byte integer blas calls [4] 59749 [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] 59907 converting ccsdt_lambda1_8_2.F back to 8-byte integer blas calls [2] 59908 converting ccsdt_lambda1_8_3_2.F back to 8-byte integer blas calls [3] 59909 converting ccsdt_lambda1_8_3.F back to 8-byte integer blas calls [4] 59910 [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] 60110 converting ccsdt_lambda1_8_4_2.F back to 8-byte integer blas calls [2] 60111 converting ccsdt_lambda1_8_4.F back to 8-byte integer blas calls [3] 60112 converting ccsdt_lambda1_8_5_2_1.F back to 8-byte integer blas calls [4] 60113 [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] 60230 converting ccsdt_lambda1_8_5.F back to 8-byte integer blas calls [2] 60231 converting ccsdt_lambda1_8_6_2_2.F back to 8-byte integer blas calls [3] 60232 converting ccsdt_lambda1_8_6_2.F back to 8-byte integer blas calls [4] 60233 [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] 60442 converting ccsdt_lambda1_8_6.F back to 8-byte integer blas calls [2] 60444 converting ccsdt_lambda1_8_7_2.F back to 8-byte integer blas calls [3] 60445 converting ccsdt_lambda1_8_7_3.F back to 8-byte integer blas calls [4] 60446 [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] 60606 converting ccsdt_lambda1_8_8.F back to 8-byte integer blas calls [2] 60607 converting ccsdt_lambda1_8_9_2.F back to 8-byte integer blas calls [3] 60608 converting ccsdt_lambda1_8_9.F back to 8-byte integer blas calls [4] 60609 [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] 60830 converting ccsdt_lambda1_9_2.F back to 8-byte integer blas calls [2] 60831 converting ccsdt_lambda1_9_3.F back to 8-byte integer blas calls [3] 60832 converting ccsdt_lambda1_9_4_1.F back to 8-byte integer blas calls [4] 60833 [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] 61068 converting ccsdt_lambda1_9_4_3.F back to 8-byte integer blas calls [2] 61069 converting ccsdt_lambda1_9_4.F back to 8-byte integer blas calls [3] 61070 converting ccsdt_lambda1_9_5_1.F back to 8-byte integer blas calls [4] 61071 [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] 61185 converting ccsdt_lambda1_9_5.F back to 8-byte integer blas calls [2] 61186 converting ccsdt_lambda1_9_6_1.F back to 8-byte integer blas calls [3] 61187 converting ccsdt_lambda1_9_6.F back to 8-byte integer blas calls [4] 61188 [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] 61461 converting ccsdt_lambda2_10_2_2_2.F back to 8-byte integer blas calls [2] 61462 converting ccsdt_lambda2_10_2_2.F back to 8-byte integer blas calls [3] 61466 converting ccsdt_lambda2_10_2_3.F back to 8-byte integer blas calls [4] 61468 [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] 61649 converting ccsdt_lambda2_10_2.F back to 8-byte integer blas calls [2] 61650 converting ccsdt_lambda2_10_3_2.F back to 8-byte integer blas calls [3] 61651 converting ccsdt_lambda2_10_3_3.F back to 8-byte integer blas calls [4] 61652 [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] 61816 converting ccsdt_lambda2_10_4.F back to 8-byte integer blas calls [2] 61817 converting ccsdt_lambda2_10_5_2.F back to 8-byte integer blas calls [3] 61818 converting ccsdt_lambda2_10_5.F back to 8-byte integer blas calls [4] 61819 [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] 61972 converting ccsdt_lambda2_10_7.F back to 8-byte integer blas calls [2] 61973 converting ccsdt_lambda2_10_8.F back to 8-byte integer blas calls [3] 61974 converting ccsdt_lambda2_10.F back to 8-byte integer blas calls [4] 61975 [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] 62189 converting ccsdt_lambda2_11_2_2.F back to 8-byte integer blas calls [2] 62190 converting ccsdt_lambda2_11_2_3.F back to 8-byte integer blas calls [3] 62191 converting ccsdt_lambda2_11_2.F back to 8-byte integer blas calls [4] 62192 [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] 62361 converting ccsdt_lambda2_11_3.F back to 8-byte integer blas calls [2] 62362 converting ccsdt_lambda2_11_4_2.F back to 8-byte integer blas calls [3] 62363 converting ccsdt_lambda2_11_4.F back to 8-byte integer blas calls [4] 62364 [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] 62506 converting ccsdt_lambda2_11_5.F back to 8-byte integer blas calls [2] 62507 converting ccsdt_lambda2_11_6.F back to 8-byte integer blas calls [3] 62508 converting ccsdt_lambda2_11_7.F back to 8-byte integer blas calls [4] 62509 [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] 62747 converting ccsdt_lambda2_12_2.F back to 8-byte integer blas calls [2] 62748 converting ccsdt_lambda2_12_3_2.F back to 8-byte integer blas calls [3] 62749 converting ccsdt_lambda2_12_3.F back to 8-byte integer blas calls [4] 62750 [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] 63077 converting ccsdt_lambda2_12_5.F back to 8-byte integer blas calls [2] 63078 converting ccsdt_lambda2_12_6_1.F back to 8-byte integer blas calls [3] 63079 converting ccsdt_lambda2_12_6.F back to 8-byte integer blas calls [4] 63080 [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] 63283 converting ccsdt_lambda2_12_7.F back to 8-byte integer blas calls [2] 63284 converting ccsdt_lambda2_12.F back to 8-byte integer blas calls [3] 63285 converting ccsdt_lambda2_13_1.F back to 8-byte integer blas calls [4] 63286 [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] 63609 converting ccsdt_lambda2_13_3.F back to 8-byte integer blas calls [2] 63610 converting ccsdt_lambda2_13.F back to 8-byte integer blas calls [3] 63611 converting ccsdt_lambda2_14_1.F back to 8-byte integer blas calls [4] 63612 [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] 63835 converting ccsdt_lambda2_14.F back to 8-byte integer blas calls [2] 63836 converting ccsdt_lambda2_15_1.F back to 8-byte integer blas calls [3] 63837 converting ccsdt_lambda2_15_2.F back to 8-byte integer blas calls [4] 63838 [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] 64081 converting ccsdt_lambda2_16_1.F back to 8-byte integer blas calls [2] 64082 converting ccsdt_lambda2_16_2.F back to 8-byte integer blas calls [3] 64083 converting ccsdt_lambda2_16.F back to 8-byte integer blas calls [4] 64084 [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] 64295 converting ccsdt_lambda2_17.F back to 8-byte integer blas calls [2] 64296 converting ccsdt_lambda2_18_1.F back to 8-byte integer blas calls [3] 64299 converting ccsdt_lambda2_18_2.F back to 8-byte integer blas calls [4] 64301 [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] 64635 converting ccsdt_lambda2_19_1.F back to 8-byte integer blas calls [2] 64636 converting ccsdt_lambda2_19_2.F back to 8-byte integer blas calls [3] 64637 converting ccsdt_lambda2_19_3_1.F back to 8-byte integer blas calls [4] 64638 [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] 64880 converting ccsdt_lambda2_19_4_1.F back to 8-byte integer blas calls [2] 64886 converting ccsdt_lambda2_19_4.F back to 8-byte integer blas calls [3] 64887 converting ccsdt_lambda2_19.F back to 8-byte integer blas calls [4] 64888 [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] 65136 converting ccsdt_lambda2_20.F back to 8-byte integer blas calls [2] 65138 converting ccsdt_lambda2_21_1.F back to 8-byte integer blas calls [3] 65139 converting ccsdt_lambda2_21.F back to 8-byte integer blas calls [4] 65140 [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] 65344 converting ccsdt_lambda2_2_2.F back to 8-byte integer blas calls [2] 65345 converting ccsdt_lambda2_22.F back to 8-byte integer blas calls [3] 65346 converting ccsdt_lambda2_23_1.F back to 8-byte integer blas calls [4] 65347 [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] 371 converting ccsdt_lambda2_23_2_2.F back to 8-byte integer blas calls [2] 372 converting ccsdt_lambda2_23_2.F back to 8-byte integer blas calls [3] 374 converting ccsdt_lambda2_23_3_1.F back to 8-byte integer blas calls [4] 375 [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] 560 converting ccsdt_lambda2_23.F back to 8-byte integer blas calls [2] 561 converting ccsdt_lambda2_24_1_1.F back to 8-byte integer blas calls [3] 563 converting ccsdt_lambda2_24_1.F back to 8-byte integer blas calls [4] 565 [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] 825 converting ccsdt_lambda2_25_1_1.F back to 8-byte integer blas calls [2] 826 converting ccsdt_lambda2_25_1.F back to 8-byte integer blas calls [3] 827 converting ccsdt_lambda2_25.F back to 8-byte integer blas calls [4] 828 [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] 1098 converting ccsdt_lambda2_26_1.F back to 8-byte integer blas calls [2] 1099 converting ccsdt_lambda2_26_2_1_1.F back to 8-byte integer blas calls [3] 1100 converting ccsdt_lambda2_26_2_1.F back to 8-byte integer blas calls [4] 1101 [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] 1296 converting ccsdt_lambda2_26.F back to 8-byte integer blas calls [2] 1297 converting ccsdt_lambda2_2.F back to 8-byte integer blas calls [3] 1298 converting ccsdt_lambda2_3_2.F back to 8-byte integer blas calls [4] 1299 [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] 1438 converting ccsdt_lambda2_4.F back to 8-byte integer blas calls [2] 1440 converting ccsdt_lambda2_5_2_2.F back to 8-byte integer blas calls [3] 1441 converting ccsdt_lambda2_5_2.F back to 8-byte integer blas calls [4] 1442 [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] 1538 converting ccsdt_lambda2_5_4.F back to 8-byte integer blas calls [2] 1539 converting ccsdt_lambda2_5.F back to 8-byte integer blas calls [3] 1540 converting ccsdt_lambda2_6_2.F back to 8-byte integer blas calls [4] 1542 [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] 1717 converting ccsdt_lambda2_6_4_1.F back to 8-byte integer blas calls [2] 1719 converting ccsdt_lambda2_6_4.F back to 8-byte integer blas calls [3] 1720 converting ccsdt_lambda2_6.F back to 8-byte integer blas calls [4] 1721 [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] 1900 converting ccsdt_lambda2_7_2.F back to 8-byte integer blas calls [2] 1901 converting ccsdt_lambda2_7_3.F back to 8-byte integer blas calls [3] 1902 converting ccsdt_lambda2_7.F back to 8-byte integer blas calls [4] 1904 [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] 2037 converting ccsdt_lambda2_8_3.F back to 8-byte integer blas calls [2] 2038 converting ccsdt_lambda2_8.F back to 8-byte integer blas calls [3] 2039 converting ccsdt_lambda2_9.F back to 8-byte integer blas calls [4] 2040 [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] 2220 [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] 11427 converting eomccsdt_density1_1_1.F back to 8-byte integer blas calls [2] 11428 converting eomccsdt_density1_1_2.F back to 8-byte integer blas calls [3] 11429 converting eomccsdt_density1_1_3.F back to 8-byte integer blas calls [4] 11430 [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] 11908 converting eomccsdt_density1_2_1.F back to 8-byte integer blas calls [2] 11909 converting eomccsdt_density1_2_2_1.F back to 8-byte integer blas calls [3] 11910 converting eomccsdt_density1_2_2.F back to 8-byte integer blas calls [4] 11911 [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] 12132 converting eomccsdt_density1_3_1.F back to 8-byte integer blas calls [2] 12133 converting eomccsdt_density1_3_2.F back to 8-byte integer blas calls [3] 12134 converting eomccsdt_density1_3_3.F back to 8-byte integer blas calls [4] 12135 [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] 12378 converting eomccsdt_density1_3_4_2.F back to 8-byte integer blas calls [2] 12379 converting eomccsdt_density1_3_4_3.F back to 8-byte integer blas calls [3] 12380 converting eomccsdt_density1_3_4.F back to 8-byte integer blas calls [4] 12381 [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] 12583 converting eomccsdt_density1_3_5_2.F back to 8-byte integer blas calls [2] 12584 converting eomccsdt_density1_3_5.F back to 8-byte integer blas calls [3] 12585 converting eomccsdt_density1_3_6_1.F back to 8-byte integer blas calls [4] 12586 [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] 12881 converting eomccsdt_density1_3.F back to 8-byte integer blas calls [2] 12882 converting eomccsdt_density1_4_1.F back to 8-byte integer blas calls [3] 12883 converting eomccsdt_density1_4_2_1.F back to 8-byte integer blas calls [4] 12884 [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] 13051 converting eomccsdt_density1_4.F back to 8-byte integer blas calls [2] 13052 converting eomccsdt_density1_5_10_1.F back to 8-byte integer blas calls [3] 13053 converting eomccsdt_density1_5_10_2_1.F back to 8-byte integer blas calls [4] 13055 [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] 13346 converting eomccsdt_density1_5_10_2.F back to 8-byte integer blas calls [2] 13349 converting eomccsdt_density1_5_10_3_1.F back to 8-byte integer blas calls [3] 13351 converting eomccsdt_density1_5_10_3.F back to 8-byte integer blas calls [4] 13352 [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] 13740 converting eomccsdt_density1_5_11_1.F back to 8-byte integer blas calls [2] 13741 converting eomccsdt_density1_5_11.F back to 8-byte integer blas calls [3] 13742 converting eomccsdt_density1_5_12_1.F back to 8-byte integer blas calls [4] 13743 [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] 14127 converting eomccsdt_density1_5_13_1_1.F back to 8-byte integer blas calls [2] 14130 converting eomccsdt_density1_5_13_1.F back to 8-byte integer blas calls [3] 14131 converting eomccsdt_density1_5_13.F back to 8-byte integer blas calls [4] 14132 [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] 14457 converting eomccsdt_density1_5_2.F back to 8-byte integer blas calls [2] 14458 converting eomccsdt_density1_5_3_1.F back to 8-byte integer blas calls [3] 14459 converting eomccsdt_density1_5_3_2.F back to 8-byte integer blas calls [4] 14460 [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] 14859 converting eomccsdt_density1_5_3_4_1.F back to 8-byte integer blas calls [2] 14860 converting eomccsdt_density1_5_3_4_2.F back to 8-byte integer blas calls [3] 14861 converting eomccsdt_density1_5_3_4_3.F back to 8-byte integer blas calls [4] 14862 [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] 15329 converting eomccsdt_density1_5_3_5_1.F back to 8-byte integer blas calls [2] 15330 converting eomccsdt_density1_5_3_5_2.F back to 8-byte integer blas calls [3] 15331 converting eomccsdt_density1_5_3_5.F back to 8-byte integer blas calls [4] 15332 [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] 15707 converting eomccsdt_density1_5_3_6.F back to 8-byte integer blas calls [2] 15709 converting eomccsdt_density1_5_3.F back to 8-byte integer blas calls [3] 15711 converting eomccsdt_density1_5_4_1.F back to 8-byte integer blas calls [4] 15712 [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] 15869 converting eomccsdt_density1_5_4_3.F back to 8-byte integer blas calls [2] 15870 converting eomccsdt_density1_5_4.F back to 8-byte integer blas calls [3] 15871 converting eomccsdt_density1_5_5_1.F back to 8-byte integer blas calls [4] 15873 [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] 16261 converting eomccsdt_density1_5_5_3.F back to 8-byte integer blas calls [2] 16262 converting eomccsdt_density1_5_5.F back to 8-byte integer blas calls [3] 16263 converting eomccsdt_density1_5_6_1.F back to 8-byte integer blas calls [4] 16264 [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] 16508 converting eomccsdt_density1_5_6.F back to 8-byte integer blas calls [2] 16509 converting eomccsdt_density1_5_7_1.F back to 8-byte integer blas calls [3] 16510 converting eomccsdt_density1_5_7.F back to 8-byte integer blas calls [4] 16511 [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] 16757 converting eomccsdt_density1_5_8_2.F back to 8-byte integer blas calls [2] 16758 converting eomccsdt_density1_5_8_3.F back to 8-byte integer blas calls [3] 16759 converting eomccsdt_density1_5_8.F back to 8-byte integer blas calls [4] 16760 [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] 17002 converting eomccsdt_density1_5_9_2.F back to 8-byte integer blas calls [2] 17003 converting eomccsdt_density1_5_9.F back to 8-byte integer blas calls [3] 17005 converting eomccsdt_density1_5.F back to 8-byte integer blas calls [4] 17006 [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] 17200 converting eomccsdt_density1_6_2.F back to 8-byte integer blas calls [2] 17202 converting eomccsdt_density1_6_3_1.F back to 8-byte integer blas calls [3] 17203 converting eomccsdt_density1_6_3_2.F back to 8-byte integer blas calls [4] 17204 [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] 17473 converting eomccsdt_density1_6_4_1.F back to 8-byte integer blas calls [2] 17474 converting eomccsdt_density1_6_4_2.F back to 8-byte integer blas calls [3] 17475 converting eomccsdt_density1_6_4.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 eomccsdt_density1_6_5_1.F back to 8-byte integer blas calls [1] 17642 converting eomccsdt_density1_6_5.F back to 8-byte integer blas calls [2] 17643 converting eomccsdt_density1_6.F back to 8-byte integer blas calls [3] 17645 converting eomccsdt_x1a.F back to 8-byte integer blas calls [4] 17646 [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] 21647 converting eomccsdt_x2a_all12.F back to 8-byte integer blas calls [2] 21648 converting eomccsdt_x2a_all15.F back to 8-byte integer blas calls [3] 21649 converting eomccsdt_x2a_all18.F back to 8-byte integer blas calls [4] 21650 [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] 26145 converting eomccsdt_x2a_all6.F back to 8-byte integer blas calls [2] 26146 converting eomccsdt_x2a_all9.F back to 8-byte integer blas calls [3] 26148 converting eomccsdt_x2_all12.F back to 8-byte integer blas calls [4] 26149 [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] 29385 converting eomccsdt_x2_all18.F back to 8-byte integer blas calls [2] 29386 converting eomccsdt_x2_all3.F back to 8-byte integer blas calls [3] 29387 converting eomccsdt_x2_all6.F back to 8-byte integer blas calls [4] 29388 [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] 31789 converting eomccsdt_x3a_all12.F back to 8-byte integer blas calls [2] 31790 converting eomccsdt_x3a_all15.F back to 8-byte integer blas calls [3] 31792 converting eomccsdt_x3a_all17.F back to 8-byte integer blas calls [4] 31793 [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] 34746 converting eomccsdt_x3a_all6.F back to 8-byte integer blas calls [2] 34747 converting eomccsdt_x3a_all9.F back to 8-byte integer blas calls [3] 34748 converting eomccsdt_x3_all12.F back to 8-byte integer blas calls [4] 34750 [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] 43731 converting eomccsdt_x3_all17.F back to 8-byte integer blas calls [2] 43732 converting eomccsdt_x3_all3.F back to 8-byte integer blas calls [3] 43733 converting eomccsdt_x3_all6.F back to 8-byte integer blas calls [4] 43734 [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] 46918 converting eomccsdt_y1_all12.F back to 8-byte integer blas calls [2] 46919 converting eomccsdt_y1_all15.F back to 8-byte integer blas calls [3] 46920 converting eomccsdt_y1_all18.F back to 8-byte integer blas calls [4] 46921 [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] 53073 converting eomccsdt_y1_all3.F back to 8-byte integer blas calls [2] 53077 converting eomccsdt_y1_all6.F back to 8-byte integer blas calls [3] 53078 converting eomccsdt_y1_all9.F back to 8-byte integer blas calls [4] 53079 [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] 60388 converting eomccsdt_y2_all15.F back to 8-byte integer blas calls [2] 60390 converting eomccsdt_y2_all18.F back to 8-byte integer blas calls [3] 60392 converting eomccsdt_y2_all21.F back to 8-byte integer blas calls [4] 60393 [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] 64093 converting eomccsdt_y2_all25.F back to 8-byte integer blas calls [2] 64095 converting eomccsdt_y2_all3.F back to 8-byte integer blas calls [3] 64096 converting eomccsdt_y2_all6.F back to 8-byte integer blas calls [4] 64097 [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] 962 converting eomccsdt_y3.F back to 8-byte integer blas calls [2] 963 [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] 9135 converting alpha_1_1_2.F back to 8-byte integer blas calls [2] 9136 converting alpha_1_1_3_1.F back to 8-byte integer blas calls [3] 9137 converting alpha_1_1_3_2.F back to 8-byte integer blas calls [4] 9138 [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] 9273 converting alpha_1_1_4_1.F back to 8-byte integer blas calls [2] 9274 converting alpha_1_1_4_2.F back to 8-byte integer blas calls [3] 9275 converting alpha_1_1_4.F back to 8-byte integer blas calls [4] 9276 [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] 9426 converting alpha_1_1_5.F back to 8-byte integer blas calls [2] 9428 converting alpha_1_1_6_1.F back to 8-byte integer blas calls [3] 9429 converting alpha_1_1_6.F back to 8-byte integer blas calls [4] 9430 [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] 9653 converting alpha_1_2_1.F back to 8-byte integer blas calls [2] 9655 converting alpha_1_2_2.F back to 8-byte integer blas calls [3] 9656 converting alpha_1_2.F back to 8-byte integer blas calls [4] 9657 [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] 9760 converting alpha_1_3.F back to 8-byte integer blas calls [2] 9761 converting alpha_1_4_1.F back to 8-byte integer blas calls [3] 9762 converting alpha_1_4.F back to 8-byte integer blas calls [4] 9763 [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] 9891 converting alpha_2_1_1.F back to 8-byte integer blas calls [2] 9892 converting alpha_2_1.F back to 8-byte integer blas calls [3] 9893 converting alpha_2_2_1_1.F back to 8-byte integer blas calls [4] 9894 [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] 10081 converting alpha_2_2_1.F back to 8-byte integer blas calls [2] 10082 converting alpha_2_2_2_1.F back to 8-byte integer blas calls [3] 10083 converting alpha_2_2_2_2.F back to 8-byte integer blas calls [4] 10084 [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] 10237 converting alpha_2_2_3_1.F back to 8-byte integer blas calls [2] 10238 converting alpha_2_2_3.F back to 8-byte integer blas calls [3] 10240 converting alpha_2_2_4_1.F back to 8-byte integer blas calls [4] 10241 [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] 10349 converting alpha_2_2.F back to 8-byte integer blas calls [2] 10350 converting alpha_2_3_1_1.F back to 8-byte integer blas calls [3] 10351 converting alpha_2_3_1_2.F back to 8-byte integer blas calls [4] 10352 [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] 10550 converting alpha_2_3_1_3.F back to 8-byte integer blas calls [2] 10551 converting alpha_2_3_1_4_1.F back to 8-byte integer blas calls [3] 10552 converting alpha_2_3_1_4.F back to 8-byte integer blas calls [4] 10554 [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] 10737 converting alpha_2_3_2_1.F back to 8-byte integer blas calls [2] 10738 converting alpha_2_3_2_2.F back to 8-byte integer blas calls [3] 10739 converting alpha_2_3_2_3_1.F back to 8-byte integer blas calls [4] 10740 [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] 10988 converting alpha_2_3_2_4_1.F back to 8-byte integer blas calls [2] 10989 converting alpha_2_3_2_4.F back to 8-byte integer blas calls [3] 10990 converting alpha_2_3_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 alpha_2_3_3_1.F back to 8-byte integer blas calls [1] 11174 converting alpha_2_3_3.F back to 8-byte integer blas calls [2] 11175 converting alpha_2_3_4_1.F back to 8-byte integer blas calls [3] 11176 converting alpha_2_3_4.F back to 8-byte integer blas calls [4] 11177 [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] 11357 converting alpha_2_3_5.F back to 8-byte integer blas calls [2] 11358 converting alpha_2_3_6_1.F back to 8-byte integer blas calls [3] 11359 converting alpha_2_3_6.F back to 8-byte integer blas calls [4] 11361 [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] 11476 converting alpha_2_3_7.F back to 8-byte integer blas calls [2] 11477 converting alpha_2_3_8_1.F back to 8-byte integer blas calls [3] 11478 converting alpha_2_3_8.F back to 8-byte integer blas calls [4] 11479 [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] 11642 converting alpha_2_3_9_1.F back to 8-byte integer blas calls [2] 11643 converting alpha_2_3_9_2_1.F back to 8-byte integer blas calls [3] 11645 converting alpha_2_3_9_2.F back to 8-byte integer blas calls [4] 11646 [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] 11812 converting alpha_2_3.F back to 8-byte integer blas calls [2] 11813 converting alpha_2_4_1_1.F back to 8-byte integer blas calls [3] 11815 converting alpha_2_4_1.F back to 8-byte integer blas calls [4] 11816 [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] 11968 converting alpha_2_5_10_1_1.F back to 8-byte integer blas calls [2] 11969 converting alpha_2_5_10_1.F back to 8-byte integer blas calls [3] 11970 converting alpha_2_5_10_2_1.F back to 8-byte integer blas calls [4] 11971 [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] 12122 converting alpha_2_5_10_3_1.F back to 8-byte integer blas calls [2] 12125 converting alpha_2_5_10_3.F back to 8-byte integer blas calls [3] 12126 converting alpha_2_5_10_4_1.F back to 8-byte integer blas calls [4] 12127 [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] 12261 converting alpha_2_5_10_5_1.F back to 8-byte integer blas calls [2] 12262 converting alpha_2_5_10_5.F back to 8-byte integer blas calls [3] 12263 converting alpha_2_5_10_6_1.F back to 8-byte integer blas calls [4] 12264 [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] 12453 converting alpha_2_5_10_7_1.F back to 8-byte integer blas calls [2] 12455 converting alpha_2_5_10_7.F back to 8-byte integer blas calls [3] 12457 converting alpha_2_5_10_8_1_1.F back to 8-byte integer blas calls [4] 12458 [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] 12624 converting alpha_2_5_10_8.F back to 8-byte integer blas calls [2] 12625 converting alpha_2_5_10.F back to 8-byte integer blas calls [3] 12626 converting alpha_2_5_11_1_1.F back to 8-byte integer blas calls [4] 12627 [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] 12810 converting alpha_2_5_1_1.F back to 8-byte integer blas calls [2] 12811 converting alpha_2_5_11.F back to 8-byte integer blas calls [3] 12813 converting alpha_2_5_12_1_1.F back to 8-byte integer blas calls [4] 12815 [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] 12992 converting alpha_2_5_1_2.F back to 8-byte integer blas calls [2] 12993 converting alpha_2_5_12.F back to 8-byte integer blas calls [3] 12994 converting alpha_2_5_13_1_1.F back to 8-byte integer blas calls [4] 12995 [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] 13194 converting alpha_2_5_13_1.F back to 8-byte integer blas calls [2] 13195 converting alpha_2_5_13_2_1.F back to 8-byte integer blas calls [3] 13196 converting alpha_2_5_13_2.F back to 8-byte integer blas calls [4] 13197 [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] 13481 converting alpha_2_5_13.F back to 8-byte integer blas calls [2] 13482 converting alpha_2_5_14_1_1.F back to 8-byte integer blas calls [3] 13483 converting alpha_2_5_14_1.F back to 8-byte integer blas calls [4] 13485 [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] 13670 converting alpha_2_5_14_2.F back to 8-byte integer blas calls [2] 13671 converting alpha_2_5_14.F back to 8-byte integer blas calls [3] 13672 converting alpha_2_5_1.F back to 8-byte integer blas calls [4] 13673 [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] 13868 converting alpha_2_5_2.F back to 8-byte integer blas calls [2] 13869 converting alpha_2_5_3_1.F back to 8-byte integer blas calls [3] 13870 converting alpha_2_5_3_2.F back to 8-byte integer blas calls [4] 13871 [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] 14127 converting alpha_2_5_4_1.F back to 8-byte integer blas calls [2] 14128 converting alpha_2_5_4_2_1.F back to 8-byte integer blas calls [3] 14130 converting alpha_2_5_4_2.F back to 8-byte integer blas calls [4] 14131 [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] 14342 converting alpha_2_5_5_1.F back to 8-byte integer blas calls [2] 14344 converting alpha_2_5_5_2.F back to 8-byte integer blas calls [3] 14345 converting alpha_2_5_5.F back to 8-byte integer blas calls [4] 14346 [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] 14553 converting alpha_2_5_6.F back to 8-byte integer blas calls [2] 14555 converting alpha_2_5_7_1.F back to 8-byte integer blas calls [3] 14556 converting alpha_2_5_7.F back to 8-byte integer blas calls [4] 14557 [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] 14749 converting alpha_2_5_8.F back to 8-byte integer blas calls [2] 14750 converting alpha_2_5_9_1.F back to 8-byte integer blas calls [3] 14751 converting alpha_2_5_9.F back to 8-byte integer blas calls [4] 14752 [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] 14921 converting alpha_2_6_1_1.F back to 8-byte integer blas calls [2] 14922 converting alpha_2_6_1.F back to 8-byte integer blas calls [3] 14923 converting alpha_2_6.F back to 8-byte integer blas calls [4] 14924 [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] 15104 converting alpha_2_7_1_2_1.F back to 8-byte integer blas calls [2] 15106 converting alpha_2_7_1_2.F back to 8-byte integer blas calls [3] 15107 converting alpha_2_7_1.F back to 8-byte integer blas calls [4] 15108 [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] 15288 converting alpha_2_7_2.F back to 8-byte integer blas calls [2] 15289 converting alpha_2_7_3_1.F back to 8-byte integer blas calls [3] 15290 converting alpha_2_7_3.F back to 8-byte integer blas calls [4] 15291 [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] 15456 converting alpha_2_7_4_2_1.F back to 8-byte integer blas calls [2] 15457 converting alpha_2_7_4_2.F back to 8-byte integer blas calls [3] 15459 converting alpha_2_7_4.F back to 8-byte integer blas calls [4] 15461 [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] 15639 converting alpha_2_7_5.F back to 8-byte integer blas calls [2] 15640 converting alpha_2_7_6_1.F back to 8-byte integer blas calls [3] 15643 converting alpha_2_7_6.F back to 8-byte integer blas calls [4] 15644 [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] 15802 converting alpha_2_7_7_1.F back to 8-byte integer blas calls [2] 15804 converting alpha_2_7_7.F back to 8-byte integer blas calls [3] 15805 converting alpha_2_7.F back to 8-byte integer blas calls [4] 15806 [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] 15917 converting alpha_2_8_1.F back to 8-byte integer blas calls [2] 15918 converting alpha_2_8_2_1.F back to 8-byte integer blas calls [3] 15920 converting alpha_2_8_2.F back to 8-byte integer blas calls [4] 15921 [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] 16043 converting alpha_2_8_3.F back to 8-byte integer blas calls [2] 16044 converting alpha_2_8_4_1_1.F back to 8-byte integer blas calls [3] 16045 converting alpha_2_8_4_1_2_1.F back to 8-byte integer blas calls [4] 16046 [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] 16174 converting alpha_2_8_4_1.F back to 8-byte integer blas calls [2] 16175 converting alpha_2_8_4_2_1.F back to 8-byte integer blas calls [3] 16176 converting alpha_2_8_4_2.F back to 8-byte integer blas calls [4] 16177 [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] 16364 converting alpha_2_8_4_3_2_1.F back to 8-byte integer blas calls [2] 16365 converting alpha_2_8_4_3_2.F back to 8-byte integer blas calls [3] 16366 converting alpha_2_8_4_3.F back to 8-byte integer blas calls [4] 16367 [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] 16505 converting alpha_2_8_4_4.F back to 8-byte integer blas calls [2] 16507 converting alpha_2_8_4_5_1_1.F back to 8-byte integer blas calls [3] 16509 converting alpha_2_8_4_5_1.F back to 8-byte integer blas calls [4] 16510 [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] 16783 converting alpha_2_8_4.F back to 8-byte integer blas calls [2] 16784 converting alpha_2_8_5_1_1.F back to 8-byte integer blas calls [3] 16785 converting alpha_2_8_5_1.F back to 8-byte integer blas calls [4] 16786 [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] 16963 converting alpha_2_8_5_2.F back to 8-byte integer blas calls [2] 16964 converting alpha_2_8_5.F back to 8-byte integer blas calls [3] 16965 converting alpha_2_8_6_1_1.F back to 8-byte integer blas calls [4] 16967 [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] 17245 converting alpha_2_8_6_2_1.F back to 8-byte integer blas calls [2] 17247 converting alpha_2_8_6_2.F back to 8-byte integer blas calls [3] 17249 converting alpha_2_8_6_3_1.F back to 8-byte integer blas calls [4] 17250 [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] 17481 converting alpha_2_8_6_4_1.F back to 8-byte integer blas calls [2] 17482 converting alpha_2_8_6_4.F back to 8-byte integer blas calls [3] 17483 converting alpha_2_8_6.F back to 8-byte integer blas calls [4] 17484 [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] 17632 converting alpha_2_8_7_1.F back to 8-byte integer blas calls [2] 17633 converting alpha_2_8_7.F back to 8-byte integer blas calls [3] 17634 converting alpha_2_8_8_1_1.F back to 8-byte integer blas calls [4] 17637 [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] 17795 converting alpha_2_8_8.F back to 8-byte integer blas calls [2] 17796 converting alpha_2_8.F back to 8-byte integer blas calls [3] 17798 converting alpha_2.F back to 8-byte integer blas calls [4] 17799 [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] 18580 converting dip_r_1_2.F back to 8-byte integer blas calls [2] 18582 converting dip_r_1.F back to 8-byte integer blas calls [3] 18583 converting dip_r_2.F back to 8-byte integer blas calls [4] 18585 [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] 18712 [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] 21665 converting beta_2_all.F back to 8-byte integer blas calls [2] 21666 converting beta_3_all.F back to 8-byte integer blas calls [3] 21667 converting beta_4_all.F back to 8-byte integer blas calls [4] 21668 [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] 37306 converting beta_1_4_1_2_1.F back to 8-byte integer blas calls [2] 37307 converting beta_1_3_1_4_1.F back to 8-byte integer blas calls [3] 37308 converting beta_3_7_5_1_1.F back to 8-byte integer blas calls [4] 37309 [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] 37531 converting beta_3_2_1_2.F back to 8-byte integer blas calls [2] 37532 converting beta_1_4_2_2.F back to 8-byte integer blas calls [3] 37533 converting beta_1_3_4_1.F back to 8-byte integer blas calls [4] 37534 [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] 37792 converting beta_1_3_1_7.F back to 8-byte integer blas calls [2] 37794 converting beta_3_7_2_1.F back to 8-byte integer blas calls [3] 37795 converting beta_3_2_9_2.F back to 8-byte integer blas calls [4] 37797 [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] 38046 converting beta_4_1_2.F back to 8-byte integer blas calls [2] 38047 converting beta_3_2_3.F back to 8-byte integer blas calls [3] 38048 converting beta_3_4_11_1.F back to 8-byte integer blas calls [4] 38049 [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] 38185 converting beta_1_4_5.F back to 8-byte integer blas calls [2] 38186 converting beta_1_3_7.F back to 8-byte integer blas calls [3] 38187 converting beta_1_4_1_1_2_1.F back to 8-byte integer blas calls [4] 38188 [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] 38376 converting beta_3_5.F back to 8-byte integer blas calls [2] 38377 converting beta_1_4_2_1_1.F back to 8-byte integer blas calls [3] 38378 converting beta_1_4_6_3_1.F back to 8-byte integer blas calls [4] 38379 [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] 38576 converting beta_3_2_2_1.F back to 8-byte integer blas calls [2] 38577 converting beta_1_4_3_1.F back to 8-byte integer blas calls [3] 38578 converting beta_3_2_1_3.F back to 8-byte integer blas calls [4] 38579 [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] 38735 converting beta_1_4_1_5.F back to 8-byte integer blas calls [2] 38736 converting beta_1_3_1_8.F back to 8-byte integer blas calls [3] 38737 converting beta_3_6_4_1.F back to 8-byte integer blas calls [4] 38738 [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] 38914 converting beta_4_2_1.F back to 8-byte integer blas calls [2] 38915 converting beta_3_2_4.F back to 8-byte integer blas calls [3] 38917 converting beta_1_4_6.F back to 8-byte integer blas calls [4] 38918 [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] 39060 converting beta_1_3_8.F back to 8-byte integer blas calls [2] 39061 converting beta_4_4.F back to 8-byte integer blas calls [3] 39062 converting beta_3_6.F back to 8-byte integer blas calls [4] 39063 [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] 39262 converting beta_1_1_1_1_1.F back to 8-byte integer blas calls [2] 39263 converting beta_1_4_1_3_1.F back to 8-byte integer blas calls [3] 39265 converting beta_1_3_1_5_1.F back to 8-byte integer blas calls [4] 39267 [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] 39446 converting beta_3_6_7_1_1.F back to 8-byte integer blas calls [2] 39447 converting beta_3_7_5_2_1.F back to 8-byte integer blas calls [3] 39448 converting beta_3_7_4_3_2.F back to 8-byte integer blas calls [4] 39449 [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] 39580 converting beta_3_2_2_2.F back to 8-byte integer blas calls [2] 39582 converting beta_3_1_4_1.F back to 8-byte integer blas calls [3] 39583 converting beta_3_2_1_4.F back to 8-byte integer blas calls [4] 39585 [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] 39790 converting beta_1_4_3_2.F back to 8-byte integer blas calls [2] 39791 converting beta_3_7_3_1.F back to 8-byte integer blas calls [3] 39792 converting beta_3_6_4_2.F back to 8-byte integer blas calls [4] 39793 [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] 39914 converting beta_3_4_12_1.F back to 8-byte integer blas calls [2] 39915 converting beta_3_2_5.F back to 8-byte integer blas calls [3] 39916 converting beta_3_4_10_5.F back to 8-byte integer blas calls [4] 39926 [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] 40007 converting beta_3_7.F back to 8-byte integer blas calls [2] 40008 converting beta_1_3_4_1_1.F back to 8-byte integer blas calls [3] 40010 converting beta_1_4_2_2_1.F back to 8-byte integer blas calls [4] 40011 [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] 40097 converting beta_3_4_4_2_1.F back to 8-byte integer blas calls [2] 40098 converting beta_3_7_6_1_1.F back to 8-byte integer blas calls [3] 40099 converting beta_3_7_4_4_1.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 beta_3_2_3_1.F back to 8-byte integer blas calls [1] 40211 converting beta_3_4_10_2_1.F back to 8-byte integer blas calls [2] 40213 converting beta_3_2_2_3.F back to 8-byte integer blas calls [3] 40214 converting beta_1_4_4_1.F back to 8-byte integer blas calls [4] 40215 [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] 40404 converting beta_3_6_5_1.F back to 8-byte integer blas calls [2] 40405 converting beta_3_4_8_1.F back to 8-byte integer blas calls [3] 40406 converting beta_4_3_1.F back to 8-byte integer blas calls [4] 40407 [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] 40530 converting beta_3_2_6.F back to 8-byte integer blas calls [2] 40532 converting beta_3_4_10_6.F back to 8-byte integer blas calls [3] 40533 converting beta_1_1_1_2_1.F back to 8-byte integer blas calls [4] 40534 [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] 40652 converting beta_3_2_1_3_1.F back to 8-byte integer blas calls [2] 40653 converting beta_1_4_1_4_1.F back to 8-byte integer blas calls [3] 40654 converting beta_1_3_1_6_1.F back to 8-byte integer blas calls [4] 40656 [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] 40812 converting beta_3_4_11_1_1.F back to 8-byte integer blas calls [2] 40815 converting beta_1_3_6_1.F back to 8-byte integer blas calls [3] 40817 converting beta_3_2_2_4.F back to 8-byte integer blas calls [4] 40820 [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] 40982 converting beta_3_7_4_1.F back to 8-byte integer blas calls [2] 40983 converting beta_4_3_2.F back to 8-byte integer blas calls [3] 40985 converting beta_3_5_1.F back to 8-byte integer blas calls [4] 40986 [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] 41192 converting beta_3_4_13_1.F back to 8-byte integer blas calls [2] 41193 converting beta_3_2_7.F back to 8-byte integer blas calls [3] 41194 converting beta_3_4_10_7.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 beta_1_1_2_1_1.F back to 8-byte integer blas calls [1] 41349 converting beta_3_7_6_2_1.F back to 8-byte integer blas calls [2] 41350 converting beta_3_7_4_5_1.F back to 8-byte integer blas calls [3] 41351 converting beta_1_1_1_2.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 beta_3_4_1_1.F back to 8-byte integer blas calls [1] 41523 converting beta_3_2_4_1.F back to 8-byte integer blas calls [2] 41524 converting beta_1_4_5_1.F back to 8-byte integer blas calls [3] 41527 converting beta_3_4_10_3_1.F back to 8-byte integer blas calls [4] 41528 [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] 41668 converting beta_3_7_4_2.F back to 8-byte integer blas calls [2] 41670 converting beta_3_6_6_1.F back to 8-byte integer blas calls [3] 41671 converting beta_3_4_9_1.F back to 8-byte integer blas calls [4] 41672 [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] 41861 converting beta_4_3_3.F back to 8-byte integer blas calls [2] 41862 converting beta_3_4_4.F back to 8-byte integer blas calls [3] 41863 converting beta_3_4_13_2.F back to 8-byte integer blas calls [4] 41864 [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] 42099 converting beta_3_4_10_8.F back to 8-byte integer blas calls [2] 42100 converting beta_1_4_6_2_1_1.F back to 8-byte integer blas calls [3] 42101 converting beta_1_3_8_1_1_1.F back to 8-byte integer blas calls [4] 42102 [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] 42254 converting beta_1_4_3_2_1.F back to 8-byte integer blas calls [2] 42255 converting beta_1_3_5_1_1.F back to 8-byte integer blas calls [3] 42256 converting beta_3_2_1_4_1.F back to 8-byte integer blas calls [4] 42257 [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] 42389 converting beta_1_3_1_7_1.F back to 8-byte integer blas calls [2] 42390 converting beta_3_7_7_1_1.F back to 8-byte integer blas calls [3] 42393 converting beta_1_1_2_1.F back to 8-byte integer blas calls [4] 42394 [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] 42560 converting beta_1_3_7_1.F back to 8-byte integer blas calls [2] 42561 converting beta_3_7_5_1.F back to 8-byte integer blas calls [3] 42563 converting beta_3_7_4_3.F back to 8-byte integer blas calls [4] 42564 [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] 42739 converting beta_3_6_1.F back to 8-byte integer blas calls [2] 42740 converting beta_4_3_4.F back to 8-byte integer blas calls [3] 42741 converting beta_3_4_14_1.F back to 8-byte integer blas calls [4] 42742 [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] 42903 converting beta_3_2_9.F back to 8-byte integer blas calls [2] 42904 converting beta_1_4_1_3_2_1.F back to 8-byte integer blas calls [3] 42905 converting beta_1_1_2_2_1.F back to 8-byte integer blas calls [4] 42906 [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] 43077 converting beta_3_2_2_3_1.F back to 8-byte integer blas calls [2] 43078 converting beta_3_7_6_3_1.F back to 8-byte integer blas calls [3] 43079 converting beta_1_2_1_1.F back to 8-byte integer blas calls [4] 43080 [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] 43324 converting beta_3_4_2_1.F back to 8-byte integer blas calls [2] 43325 converting beta_3_2_5_1.F back to 8-byte integer blas calls [3] 43326 converting beta_3_4_12_1_1.F back to 8-byte integer blas calls [4] 43327 [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] 43528 converting beta_1_4_6_1.F back to 8-byte integer blas calls [2] 43529 converting beta_3_4_10_4_1.F back to 8-byte integer blas calls [3] 43530 converting beta_1_3_7_2.F back to 8-byte integer blas calls [4] 43531 [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] 43683 converting beta_3_6_7_1.F back to 8-byte integer blas calls [2] 43684 converting beta_3_7_4_4.F back to 8-byte integer blas calls [3] 43685 converting beta_1_1_2.F back to 8-byte integer blas calls [4] 43686 [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] 43899 converting beta_4_3_5.F back to 8-byte integer blas calls [2] 43900 converting beta_3_4_14_2.F back to 8-byte integer blas calls [3] 43902 converting beta_3_4_6.F back to 8-byte integer blas calls [4] 43910 [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] 44055 converting beta_1_1_3_1_1.F back to 8-byte integer blas calls [2] 44056 converting beta_1_4_3_3_1.F back to 8-byte integer blas calls [3] 44057 converting beta_1_3_1_8_1.F back to 8-byte integer blas calls [4] 44058 [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] 44238 converting beta_2_1_1_1.F back to 8-byte integer blas calls [2] 44239 converting beta_1_1_3_1.F back to 8-byte integer blas calls [3] 44240 converting beta_4_3_2_1.F back to 8-byte integer blas calls [4] 44241 [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] 44374 converting beta_1_4_6_2.F back to 8-byte integer blas calls [2] 44375 converting beta_1_3_8_1.F back to 8-byte integer blas calls [3] 44376 converting beta_3_7_6_1.F back to 8-byte integer blas calls [4] 44377 [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] 44546 converting beta_1_2_1.F back to 8-byte integer blas calls [2] 44547 converting beta_1_1_3.F back to 8-byte integer blas calls [3] 44550 converting beta_3_7_1.F back to 8-byte integer blas calls [4] 44551 [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] 44733 converting beta_3_4_7.F back to 8-byte integer blas calls [2] 44734 converting beta_1_1.F back to 8-byte integer blas calls [3] 44735 converting beta_1_4_6_3_1_1.F back to 8-byte integer blas calls [4] 44737 [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] 44905 converting beta_1_3_6_1_1.F back to 8-byte integer blas calls [2] 44906 converting beta_3_2_2_4_1.F back to 8-byte integer blas calls [3] 44911 converting beta_3_4_10_8_1_1.F back to 8-byte integer blas calls [4] 44912 [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] 45188 converting beta_3_7_6_4_1.F back to 8-byte integer blas calls [2] 45191 converting beta_2_1_1_2.F back to 8-byte integer blas calls [3] 45193 converting beta_1_2_2_1.F back to 8-byte integer blas calls [4] 45194 [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] 45377 converting beta_4_3_2_2.F back to 8-byte integer blas calls [2] 45378 converting beta_3_4_3_1.F back to 8-byte integer blas calls [3] 45380 converting beta_3_2_6_1.F back to 8-byte integer blas calls [4] 45382 [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] 45571 converting beta_1_4_6_3.F back to 8-byte integer blas calls [2] 45572 converting beta_3_7_6_2.F back to 8-byte integer blas calls [3] 45573 converting beta_2_1_1.F back to 8-byte integer blas calls [4] 45574 [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] 45806 converting beta_3_7_2.F back to 8-byte integer blas calls [2] 45807 converting beta_3_6_4.F back to 8-byte integer blas calls [3] 45808 converting beta_3_4_8.F back to 8-byte integer blas calls [4] 45809 [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] 46088 converting beta_1_3_1_1_1.F back to 8-byte integer blas calls [2] 46089 converting beta_1_1_3_2_1.F back to 8-byte integer blas calls [3] 46090 converting beta_1_4_5_1_1.F back to 8-byte integer blas calls [4] 46091 [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] 46308 converting beta_3_2_9_2_1.F back to 8-byte integer blas calls [2] 46309 converting beta_2_1_2_1.F back to 8-byte integer blas calls [3] 46310 converting beta_1_3_1_1.F back to 8-byte integer blas calls [4] 46312 [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] 46567 converting beta_3_4_3_2.F back to 8-byte integer blas calls [2] 46568 converting beta_3_4_13_1_1.F back to 8-byte integer blas calls [3] 46570 converting beta_3_7_7_1.F back to 8-byte integer blas calls [4] 46571 [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] 46822 converting beta_1_3_1.F back to 8-byte integer blas calls [2] 46823 converting beta_2_1_2.F back to 8-byte integer blas calls [3] 46824 converting beta_1_2_3.F back to 8-byte integer blas calls [4] 46826 [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] 47106 converting beta_3_6_5.F back to 8-byte integer blas calls [2] 47107 converting beta_3_4_9.F back to 8-byte integer blas calls [3] 47108 converting beta_2_1.F back to 8-byte integer blas calls [4] 47109 [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] 47347 converting beta_1_4_1_5_1_1.F back to 8-byte integer blas calls [2] 47348 converting beta_1_3_6_2_1.F back to 8-byte integer blas calls [3] 47349 converting beta_3_6_4_2_1.F back to 8-byte integer blas calls [4] 47350 [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] 47514 converting beta_1_3_1_2.F back to 8-byte integer blas calls [2] 47515 converting beta_1_2_3_1.F back to 8-byte integer blas calls [3] 47516 converting beta_3_6_1_1.F back to 8-byte integer blas calls [4] 47517 [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] 47744 converting beta_4_3_3_2.F back to 8-byte integer blas calls [2] 47745 converting beta_3_2_7_1.F back to 8-byte integer blas calls [3] 47746 converting beta_3_4_10_6_1.F back to 8-byte integer blas calls [4] 47747 [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] 47993 converting beta_2_1_3.F back to 8-byte integer blas calls [2] 47994 converting beta_1_3_2.F back to 8-byte integer blas calls [3] 47995 converting beta_3_7_4.F back to 8-byte integer blas calls [4] 47996 [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] 48168 converting beta_1_4.F back to 8-byte integer blas calls [2] 48169 converting beta_3_4_10.F back to 8-byte integer blas calls [3] 48170 converting beta_1_3_1_2_1.F back to 8-byte integer blas calls [4] 48171 [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] 48376 converting beta_3_4_1_3_1.F back to 8-byte integer blas calls [2] 48377 converting beta_1_3_7_1_1.F back to 8-byte integer blas calls [3] 48378 converting beta_3_1_1_1.F back to 8-byte integer blas calls [4] 48379 [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] 48502 converting beta_2_1_3_1.F back to 8-byte integer blas calls [2] 48503 converting beta_1_3_1_3.F back to 8-byte integer blas calls [3] 48504 converting beta_4_3_4_1.F back to 8-byte integer blas calls [4] 48512 [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] 48703 converting beta_3_4_13_2_1.F back to 8-byte integer blas calls [2] 48704 converting beta_3_4_4_2.F back to 8-byte integer blas calls [3] 48707 converting beta_3_7_8_1.F back to 8-byte integer blas calls [4] 48708 [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] 48861 converting beta_1_4_1.F back to 8-byte integer blas calls [2] 48862 converting beta_1_3_3.F back to 8-byte integer blas calls [3] 48863 converting beta_2_1_4.F back to 8-byte integer blas calls [4] 48864 [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] 49039 converting beta_3_6_7.F back to 8-byte integer blas calls [2] 49040 converting beta_3_1.F back to 8-byte integer blas calls [3] 49041 converting beta_3_4_11.F back to 8-byte integer blas calls [4] 49042 [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] 49218 converting beta_1_4_6_1_1.F back to 8-byte integer blas calls [2] 49219 converting beta_3_7_4_1_1.F back to 8-byte integer blas calls [3] 49220 converting beta_1_4_1_1.F back to 8-byte integer blas calls [4] 49222 [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] 49396 converting beta_1_3_1_4.F back to 8-byte integer blas calls [2] 49397 converting beta_3_6_2_1.F back to 8-byte integer blas calls [3] 49399 converting beta_3_4_14_1_1.F back to 8-byte integer blas calls [4] 49400 [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] 49699 converting beta_3_2_8_1.F back to 8-byte integer blas calls [2] 49701 converting beta_3_4_10_7_1.F back to 8-byte integer blas calls [3] 49702 converting beta_3_1_2.F back to 8-byte integer blas calls [4] 49703 [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] 49913 converting beta_1_3_4.F back to 8-byte integer blas calls [2] 49914 converting beta_3_7_6.F back to 8-byte integer blas calls [3] 49915 converting beta_3_2.F back to 8-byte integer blas calls [4] 49916 [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] 50096 converting beta_3_7_4_3_2_1.F back to 8-byte integer blas calls [2] 50098 converting beta_1_4_1_1_1.F back to 8-byte integer blas calls [3] 50099 converting beta_1_3_1_3_1.F back to 8-byte integer blas calls [4] 50100 [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] 50235 converting beta_3_7_4_1_2.F back to 8-byte integer blas calls [2] 50236 converting beta_3_1_2_1.F back to 8-byte integer blas calls [3] 50237 converting beta_1_4_1_2.F back to 8-byte integer blas calls [4] 50238 [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] 50414 converting beta_2_1_4_1.F back to 8-byte integer blas calls [2] 50415 converting beta_1_3_1_5.F back to 8-byte integer blas calls [3] 50416 converting beta_3_7_1_1.F back to 8-byte integer blas calls [4] 50417 [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] 50517 converting beta_3_4_5_2.F back to 8-byte integer blas calls [2] 50518 converting beta_3_2_1.F back to 8-byte integer blas calls [3] 50519 converting beta_3_1_3.F back to 8-byte integer blas calls [4] 50520 [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] 50670 converting beta_3_4_10_1.F back to 8-byte integer blas calls [2] 50671 converting beta_1_3_5.F back to 8-byte integer blas calls [3] 50672 converting beta_3_7_7.F back to 8-byte integer blas calls [4] 50673 [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] 50853 converting beta_3_3.F back to 8-byte integer blas calls [2] 50854 converting beta_3_4_13.F back to 8-byte integer blas calls [3] 50855 converting beta_1_3_1_8_1_1.F back to 8-byte integer blas calls [4] 50856 [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] 51044 converting beta_1_4_6_2_1.F back to 8-byte integer blas calls [2] 51045 converting beta_1_3_8_1_1.F back to 8-byte integer blas calls [3] 51046 converting beta_3_7_4_2_1.F back to 8-byte integer blas calls [4] 51047 [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] 51190 converting beta_1_4_2_1.F back to 8-byte integer blas calls [2] 51191 converting beta_3_1_2_2.F back to 8-byte integer blas calls [3] 51192 converting beta_1_4_1_3.F back to 8-byte integer blas calls [4] 51193 [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] 51358 converting beta_3_6_3_1.F back to 8-byte integer blas calls [2] 51359 converting beta_3_4_14_2_1.F back to 8-byte integer blas calls [3] 51360 converting beta_3_4_6_1.F back to 8-byte integer blas calls [4] 51361 [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] 51554 converting beta_3_4_10_8_1.F back to 8-byte integer blas calls [2] 51555 converting beta_4_1_1.F back to 8-byte integer blas calls [3] 51556 converting beta_3_2_2.F back to 8-byte integer blas calls [4] 51557 [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] 51716 converting beta_1_4_4.F back to 8-byte integer blas calls [2] 51717 converting beta_3_4_10_2.F back to 8-byte integer blas calls [3] 51718 converting beta_1_3_6.F back to 8-byte integer blas calls [4] 51719 [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] 51846 converting beta_4_2.F back to 8-byte integer blas calls [2] 51847 converting beta_3_4.F back to 8-byte integer blas calls [3] 51848 converting beta_3_4_14.F back to 8-byte integer blas calls [4] 51854 [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] 54747 converting ccsd_y_o2.F back to 8-byte integer blas calls [2] 54748 converting ccsd_yr1.F back to 8-byte integer blas calls [3] 54749 converting ccsd_yr2.F back to 8-byte integer blas calls [4] 54750 [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] 64548 converting ccsd_y_tr2.F back to 8-byte integer blas calls [2] 64549 converting alpha_2_yr.F back to 8-byte integer blas calls [3] 64550 converting ccsd_lr_d1_hh.F back to 8-byte integer blas calls [4] 64551 [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] 11439 converting ccsd_lr_d1_hp.F back to 8-byte integer blas calls [2] 11440 converting ccsd_lr_d1_pp.F back to 8-byte integer blas calls [3] 11441 [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] 15119 converting ccsd_o2.F back to 8-byte integer blas calls [2] 15120 converting eomccsd_o1.F back to 8-byte integer blas calls [3] 15121 converting eomccsd_o2.F back to 8-byte integer blas calls [4] 15122 [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] 15829 converting ccsdt_o2.F back to 8-byte integer blas calls [2] 15830 converting ccsdt_o3.F back to 8-byte integer blas calls [3] 15831 converting ccsdtq_o1.F back to 8-byte integer blas calls [4] 15832 [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] 16611 converting ccsdtq_o3.F back to 8-byte integer blas calls [2] 16612 converting ccsdtq_o4.F back to 8-byte integer blas calls [3] 16613 [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] 24994 converting mr_ccsd_t1.F back to 8-byte integer blas calls [2] 24995 converting mr_ccsd_t2.F back to 8-byte integer blas calls [3] 24996 converting mr_ccsd_dcl.F back to 8-byte integer blas calls [4] 24998 [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] 28559 converting T2_C2.F back to 8-byte integer blas calls [2] 28560 converting T2_pg_C2_1.F back to 8-byte integer blas calls [3] 28561 converting T2_pg_C2.F back to 8-byte integer blas calls [4] 28562 [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] 31468 converting ccsd_st2.F back to 8-byte integer blas calls [2] 31470 converting ccsd_se.F back to 8-byte integer blas calls [3] 31471 converting ccsd_dcl_sub.F back to 8-byte integer blas calls [4] 31472 [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] 37636 converting tce_mrcc_q3vnt2.F back to 8-byte integer blas calls [2] 37637 converting tce_mrcc_q3fnt2.F back to 8-byte integer blas calls [3] 37638 converting tce_mrcc_ccsdpt.F back to 8-byte integer blas calls [4] 37639 [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] 37883 converting tce_mrcc_q3vnt1_subg.F back to 8-byte integer blas calls [2] 37884 converting tce_mrcc_q3fnt2_subg.F back to 8-byte integer blas calls [3] 37889 [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] 40379 converting tce_uss_offdiagonal_2.F back to 8-byte integer blas calls [2] 40380 converting tce_uss_offdiagonal_3.F back to 8-byte integer blas calls [3] 40381 converting tce_uss_offdiagonal_4.F back to 8-byte integer blas calls [4] 40382 [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] 40797 converting ccsd_r4.F back to 8-byte integer blas calls [2] 40799 converting tce_uss_aux.F back to 8-byte integer blas calls [3] 40800 converting tce_uss_T1_R1.F back to 8-byte integer blas calls [4] 40801 [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] 41707 [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] 41870 converting tce_mrcc_readref.F back to 8-byte integer blas calls [2] 41871 converting tce_mrcc_calcexcit.F back to 8-byte integer blas calls [3] 41872 converting tce_mrcc_sortint.F back to 8-byte integer blas calls [4] 41873 [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] 42681 converting tce_mrcc_macpy.F back to 8-byte integer blas calls [2] 42682 converting tce_mrcc_fillindexarray.F back to 8-byte integer blas calls [3] 42683 converting tce_mrcc_uhf.F back to 8-byte integer blas calls [4] 42684 [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] 43171 converting pgcreatefile.F back to 8-byte integer blas calls [2] 43172 converting tce_mrcc_mo2e.F back to 8-byte integer blas calls [3] 43173 converting tce_mrcc_ao2e.F back to 8-byte integer blas calls [4] 43174 [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] 43335 converting tce_mrcc_sublock.F back to 8-byte integer blas calls [2] 43336 converting eaf_mrcc.F back to 8-byte integer blas calls [3] 43337 converting tce_t3ac_offset.F back to 8-byte integer blas calls [4] 43339 Could not open file: tce_mrcc_sublock.F.43336 [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] 43465 converting tce_mrcc_refs_sym.F back to 8-byte integer blas calls [2] 43466 converting tce_mrcc_force_orben.F back to 8-byte integer blas calls [3] 43467 converting tce_mrcc_diis_init.F back to 8-byte integer blas calls [4] 43469 [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] 43536 converting tce_mrcc_diis.F back to 8-byte integer blas calls [2] 43537 converting tce_mrcc_jacobi_t1.F back to 8-byte integer blas calls [3] 43538 converting tce_mrcc_jacobi_t2.F back to 8-byte integer blas calls [4] 43539 [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] 44182 converting tce_mrcc_daxfile.F back to 8-byte integer blas calls [2] 44183 converting tce_mrcc_diis_tidy.F back to 8-byte integer blas calls [3] 44184 converting tce_jacobi_sub_t1.F back to 8-byte integer blas calls [4] 44185 [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] 44281 converting tce_mrcc_c1.F back to 8-byte integer blas calls [2] 44282 converting tce_mrcc_c1_offset.F back to 8-byte integer blas calls [3] 44283 converting tce_mrcc_c2.F back to 8-byte integer blas calls [4] 44284 [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] 44447 converting tce_mrcc_mul_1.F back to 8-byte integer blas calls [2] 44448 converting tce_mrcc_mul_2.F back to 8-byte integer blas calls [3] 44449 converting tce_mrcc_diis_save.F back to 8-byte integer blas calls [4] 44450 [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] 44627 converting tce_mrcc_create_cas1.F back to 8-byte integer blas calls [2] 44628 converting new_ga4ind_N5uhf_mrcc_lm2.F back to 8-byte integer blas calls [3] 44629 [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] 45020 converting tce_residual_t1.F back to 8-byte integer blas calls [2] 45021 converting tce_residual_t2.F back to 8-byte integer blas calls [3] 45022 converting tce_residual_t3.F back to 8-byte integer blas calls [4] 45023 [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] 45179 converting tce_residual_t3a.F back to 8-byte integer blas calls [2] 45180 converting tce_ao2e.F back to 8-byte integer blas calls [3] 45181 converting tce_mo2e.F back to 8-byte integer blas calls [4] 45183 [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] 45361 converting tce_mod1.F back to 8-byte integer blas calls [2] 45363 converting tce_moq1.F back to 8-byte integer blas calls [3] 45364 converting tce_eom_xdiagon.F back to 8-byte integer blas calls [4] 45367 Could not open file: tce_moq1.F.45364 [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] 46093 converting tce_eom_ydiagon.F back to 8-byte integer blas calls [2] 46094 converting tce_ao1e.F back to 8-byte integer blas calls [3] 46095 converting tce_aod1.F back to 8-byte integer blas calls [4] 46098 [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] 46314 converting tce_mo1e.F back to 8-byte integer blas calls [2] 46315 converting tce_ao_mp1.F back to 8-byte integer blas calls [3] 46317 converting tce_mo_mp1.F back to 8-byte integer blas calls [4] 46318 Could not open file: tce_mo_mp1.F.46318 Could not open file: tce_ao_mp1.F.46317 Could not open file: tce_aoq1.F.46314 [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] 46416 converting tce_mo2e_zones_4a_disk_ga_chop.F back to 8-byte integer blas calls [2] 46417 converting tce_mo2e_zones_4a_disk_4s_new_patch.F back to 8-byte integer blas calls [3] 46418 converting tce_mo2e_zones_4a_disk_2s_new.F back to 8-byte integer blas calls [4] 46419 [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] 47093 converting tce_mo2e_2emet3.F back to 8-byte integer blas calls [2] 47095 converting tce_mo2e_2emet3_n5.F back to 8-byte integer blas calls [3] 47096 converting tce_mo2e_2emet4.F back to 8-byte integer blas calls [4] 47097 [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] 47574 converting tce_mo2e_disk_2eorb.F back to 8-byte integer blas calls [2] 47575 converting tce_mo2e_incore_2eorb.F back to 8-byte integer blas calls [3] 47576 converting tce_mo2e_incore_2eorb_split.F back to 8-byte integer blas calls [4] 47577 [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] 48085 converting tce_diagnose_t1.F back to 8-byte integer blas calls [2] 48086 converting ddotfile.F back to 8-byte integer blas calls [3] 48087 converting tce_ao2e_cholesky.F back to 8-byte integer blas calls [4] 48088 [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] 48499 converting ccsd_lr_alpha.F back to 8-byte integer blas calls [2] 48500 converting tensor_read_write.F back to 8-byte integer blas calls [3] 48501 converting tce_diis_act.F back to 8-byte integer blas calls [4] 48502 [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] 51677 converting tce_mo2e_zones_4a_disk_ga_chop_act.F back to 8-byte integer blas calls [2] 51681 converting ccsd_qr_beta.F back to 8-byte integer blas calls [3] 51682 converting daxpyfile.F back to 8-byte integer blas calls [4] 51683 [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] 51966 converting tce_ao2e_disk.F back to 8-byte integer blas calls [2] 51968 converting tce_ao2e_new.F back to 8-byte integer blas calls [3] 51969 converting tce_dgeev.F back to 8-byte integer blas calls [4] 51970 [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] 52359 converting tce_mo2e_new.F back to 8-byte integer blas calls [2] 52360 converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F back to 8-byte integer blas calls [3] 52361 converting tce_mo2e_zones_4a_disk_ga_N5.F back to 8-byte integer blas calls [4] 52362 [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] 52814 converting tce_mod1_new.F back to 8-byte integer blas calls [2] 52815 converting new_ga4ind_N5.F back to 8-byte integer blas calls [3] 52816 converting new4ind_N5_osu.F back to 8-byte integer blas calls [4] 52817 [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] 58197 [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] 61005 [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] 8948 [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] 19009 converting dimqm_main.F back to 8-byte integer blas calls [2] 19010 [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 3.1u 0.2s 0:06.54 51.8% (0t+0ds+0avg+54558max)k 12080i+0o 622pf 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 2.0u 0.4s 0:03.49 70.4% (0t+0ds+0avg+42396max)k 776i+0o 16pf 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 3.3u 0.4s 0:04.96 78.0% (0t+0ds+0avg+41174max)k 264i+0o 6pf 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 1.0u 0.2s 0:02.18 58.7% (0t+0ds+0avg+67226max)k 0i+0o 0pf 0swaps 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 5.2u 0.2s 0:06.67 82.4% (0t+0ds+0avg+75102max)k 104i+0o 5pf 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 2.9u 0.1s 0:04.23 74.7% (0t+0ds+0avg+61918max)k 160i+0o 0pf 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 15.7u 0.2s 0:17.22 92.7% (0t+0ds+0avg+79286max)k 0i+0o 0pf 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 1.9u 0.1s 0:03.09 67.9% (0t+0ds+0avg+55644max)k 0i+0o 0pf 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 4.0u 0.2s 0:05.35 80.3% (0t+0ds+0avg+60230max)k 32i+0o 0pf 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 5.6u 0.2s 0:07.09 83.3% (0t+0ds+0avg+59584max)k 0i+0o 0pf 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 4.0u 0.1s 0:05.09 82.1% (0t+0ds+0avg+69882max)k 56i+0o 0pf 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 4.1u 0.1s 0:05.43 79.3% (0t+0ds+0avg+68904max)k 0i+0o 0pf 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 7.6u 0.2s 0:08.75 89.4% (0t+0ds+0avg+88270max)k 40i+0o 0pf 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 119.4u 0.8s 2:02.95 97.8% (0t+0ds+0avg+95250max)k 40i+0o 0pf 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 2.8u 0.3s 0:04.22 76.3% (0t+0ds+0avg+71058max)k 40i+0o 0pf 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 11.7u 0.3s 0:13.17 91.9% (0t+0ds+0avg+70502max)k 0i+0o 0pf 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 18.9u 0.4s 0:20.88 93.2% (0t+0ds+0avg+58176max)k 128i+0o 0pf 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 1.4u 0.1s 0:02.79 59.8% (0t+0ds+0avg+60736max)k 16i+0o 0pf 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 3.3u 0.2s 0:04.98 72.2% (0t+0ds+0avg+60312max)k 32i+0o 0pf 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 22.1u 0.1s 0:23.73 93.7% (0t+0ds+0avg+41770max)k 648i+0o 26pf 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 53.0u 0.3s 0:55.09 96.9% (0t+0ds+0avg+68200max)k 256i+0o 3pf 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 49.3u 0.2s 0:53.07 93.3% (0t+0ds+0avg+48154max)k 32i+0o 0pf 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 37.2u 0.4s 0:41.46 90.8% (0t+0ds+0avg+44056max)k 0i+0o 0pf 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 5.4u 0.4s 0:10.93 53.6% (0t+0ds+0avg+63518max)k 0i+0o 0pf 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 126.3u 0.5s 2:47.20 75.8% (0t+0ds+0avg+97422max)k 112i+0o 0pf 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 48.4u 2.0s 0:54.83 92.1% (0t+0ds+0avg+66230max)k 32i+0o 0pf 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 2.9u 0.6s 0:04.63 78.8% (0t+0ds+0avg+65470max)k 32i+0o 0pf 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 61.6u 0.2s 1:07.10 92.2% (0t+0ds+0avg+75128max)k 352i+0o 14pf 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 223.4u 0.5s 4:30.03 82.9% (0t+0ds+0avg+64486max)k 0i+0o 0pf 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 37.5u 0.5s 0:40.87 93.1% (0t+0ds+0avg+101244max)k 0i+0o 0pf 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 6.0u 0.1s 0:07.37 84.8% (0t+0ds+0avg+71440max)k 8i+0o 0pf 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 139.7u 13.1s 2:41.42 94.6% (0t+0ds+0avg+119748max)k 64i+0o 0pf 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 37.8u 0.3s 0:43.40 88.0% (0t+0ds+0avg+121624max)k 1200i+0o 63pf 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 85.4u 0.2s 1:35.03 90.2% (0t+0ds+0avg+75138max)k 240i+0o 6pf 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 25.1u 0.2s 0:28.14 90.3% (0t+0ds+0avg+77286max)k 0i+0o 0pf 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 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 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 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-dbgsym' in '../nwchem-dbgsym_6.8.1-5_amd64.deb'. dpkg-deb: building package 'nwchem-data' in '../nwchem-data_6.8.1-5_all.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: 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/10525 and its subdirectories I: Current time: Mon Aug 9 09:03:24 -12 2021 I: pbuilder-time-stamp: 1628543004