I: pbuilder: network access will be disabled during build I: Current time: Wed May 19 03:22:54 -12 2021 I: pbuilder-time-stamp: 1621437774 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: using eatmydata during job 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 -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: i386 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 ... 19231 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} 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, 108 newly installed, 0 to remove and 0 not upgraded. Need to get 84.8 MB of archives. After unpacking 242 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian buster/main i386 libbsd0 i386 0.9.1-2 [104 kB] Get: 2 http://deb.debian.org/debian buster/main i386 bsdmainutils i386 11.1.2+b1 [193 kB] Get: 3 http://deb.debian.org/debian buster/main i386 libuchardet0 i386 0.0.6-3 [65.2 kB] Get: 4 http://deb.debian.org/debian buster/main i386 groff-base i386 1.22.4-3 [935 kB] Get: 5 http://deb.debian.org/debian buster/main i386 libpipeline1 i386 1.5.1-2 [33.3 kB] Get: 6 http://deb.debian.org/debian buster/main i386 man-db i386 2.8.5-2 [1284 kB] Get: 7 http://deb.debian.org/debian buster/main i386 libpython2.7-minimal i386 2.7.16-2+deb10u1 [395 kB] Get: 8 http://deb.debian.org/debian buster/main i386 python2.7-minimal i386 2.7.16-2+deb10u1 [1381 kB] Get: 9 http://deb.debian.org/debian buster/main i386 python2-minimal i386 2.7.16-1 [41.4 kB] Get: 10 http://deb.debian.org/debian buster/main i386 python-minimal i386 2.7.16-1 [21.0 kB] Get: 11 http://deb.debian.org/debian buster/main i386 libssl1.1 i386 1.1.1d-0+deb10u2 [1538 kB] Get: 12 http://deb.debian.org/debian buster/main i386 mime-support all 3.62 [37.2 kB] Get: 13 http://deb.debian.org/debian buster/main i386 libexpat1 i386 2.2.6-2+deb10u1 [104 kB] Get: 14 http://deb.debian.org/debian buster/main i386 readline-common all 7.0-5 [70.6 kB] Get: 15 http://deb.debian.org/debian buster/main i386 libreadline7 i386 7.0-5 [156 kB] Get: 16 http://deb.debian.org/debian buster/main i386 libpython2.7-stdlib i386 2.7.16-2+deb10u1 [1934 kB] Get: 17 http://deb.debian.org/debian buster/main i386 python2.7 i386 2.7.16-2+deb10u1 [305 kB] Get: 18 http://deb.debian.org/debian buster/main i386 libpython2-stdlib i386 2.7.16-1 [20.8 kB] Get: 19 http://deb.debian.org/debian buster/main i386 libpython-stdlib i386 2.7.16-1 [20.8 kB] Get: 20 http://deb.debian.org/debian buster/main i386 python2 i386 2.7.16-1 [41.6 kB] Get: 21 http://deb.debian.org/debian buster/main i386 python i386 2.7.16-1 [22.8 kB] Get: 22 http://deb.debian.org/debian buster/main i386 sensible-utils all 0.0.12 [15.8 kB] Get: 23 http://deb.debian.org/debian buster/main i386 libmagic-mgc i386 1:5.35-4+deb10u1 [242 kB] Get: 24 http://deb.debian.org/debian buster/main i386 libmagic1 i386 1:5.35-4+deb10u1 [124 kB] Get: 25 http://deb.debian.org/debian buster/main i386 file i386 1:5.35-4+deb10u1 [66.3 kB] Get: 26 http://deb.debian.org/debian buster/main i386 gettext-base i386 0.19.8.1-9 [124 kB] Get: 27 http://deb.debian.org/debian buster/main i386 libedit2 i386 3.1-20181209-1 [98.2 kB] Get: 28 http://deb.debian.org/debian buster/main i386 libkeyutils1 i386 1.6-6 [15.4 kB] Get: 29 http://deb.debian.org/debian buster/main i386 libkrb5support0 i386 1.17-3 [68.6 kB] Get: 30 http://deb.debian.org/debian buster/main i386 libk5crypto3 i386 1.17-3 [126 kB] Get: 31 http://deb.debian.org/debian buster/main i386 libkrb5-3 i386 1.17-3 [396 kB] Get: 32 http://deb.debian.org/debian buster/main i386 libgssapi-krb5-2 i386 1.17-3 [168 kB] Get: 33 http://deb.debian.org/debian buster/main i386 openssh-client i386 1:7.9p1-10+deb10u2 [834 kB] Get: 34 http://deb.debian.org/debian buster/main i386 libsigsegv2 i386 2.12-2 [33.2 kB] Get: 35 http://deb.debian.org/debian buster/main i386 m4 i386 1.4.18-2 [205 kB] Get: 36 http://deb.debian.org/debian buster/main i386 autoconf all 2.69-11 [341 kB] Get: 37 http://deb.debian.org/debian buster/main i386 autotools-dev all 20180224.1 [77.0 kB] Get: 38 http://deb.debian.org/debian buster/main i386 automake all 1:1.16.1-4 [771 kB] Get: 39 http://deb.debian.org/debian buster/main i386 autopoint all 0.19.8.1-9 [434 kB] Get: 40 http://deb.debian.org/debian buster/main i386 csh i386 20110502-4+deb10u1 [248 kB] Get: 41 http://deb.debian.org/debian buster/main i386 libtool all 2.4.6-9 [547 kB] Get: 42 http://deb.debian.org/debian buster/main i386 dh-autoreconf all 19 [16.9 kB] Get: 43 http://deb.debian.org/debian buster/main i386 libarchive-zip-perl all 1.64-1 [96.8 kB] Get: 44 http://deb.debian.org/debian buster/main i386 libfile-stripnondeterminism-perl all 1.1.2-1 [19.8 kB] Get: 45 http://deb.debian.org/debian buster/main i386 dh-strip-nondeterminism all 1.1.2-1 [13.0 kB] Get: 46 http://deb.debian.org/debian buster/main i386 libelf1 i386 0.176-1.1 [166 kB] Get: 47 http://deb.debian.org/debian buster/main i386 dwz i386 0.12-3 [81.4 kB] Get: 48 http://deb.debian.org/debian buster/main i386 libglib2.0-0 i386 2.58.3-2+deb10u2 [1334 kB] Get: 49 http://deb.debian.org/debian buster/main i386 libicu63 i386 63.1-6 [8443 kB] Get: 50 http://deb.debian.org/debian buster/main i386 libxml2 i386 2.9.4+dfsg1-7+b3 [721 kB] Get: 51 http://deb.debian.org/debian buster/main i386 libcroco3 i386 0.6.12-3 [151 kB] Get: 52 http://deb.debian.org/debian buster/main i386 libncurses6 i386 6.1+20181013-2+deb10u2 [109 kB] Get: 53 http://deb.debian.org/debian buster/main i386 gettext i386 0.19.8.1-9 [1314 kB] Get: 54 http://deb.debian.org/debian buster/main i386 intltool-debian all 0.35.0+20060710.5 [26.8 kB] Get: 55 http://deb.debian.org/debian buster/main i386 po-debconf all 1.0.21 [248 kB] Get: 56 http://deb.debian.org/debian buster/main i386 debhelper all 12.1.1 [1016 kB] Get: 57 http://deb.debian.org/debian buster/main i386 libgfortran5 i386 8.3.0-6 [549 kB] Get: 58 http://deb.debian.org/debian buster/main i386 libgfortran-8-dev i386 8.3.0-6 [603 kB] Get: 59 http://deb.debian.org/debian buster/main i386 gfortran-8 i386 8.3.0-6 [9465 kB] Get: 60 http://deb.debian.org/debian buster/main i386 gfortran i386 4:8.3.0-1 [1432 B] Get: 61 http://deb.debian.org/debian buster/main i386 libnl-3-200 i386 3.4.0-1 [65.8 kB] Get: 62 http://deb.debian.org/debian buster/main i386 libnl-route-3-200 i386 3.4.0-1 [170 kB] Get: 63 http://deb.debian.org/debian buster/main i386 libibverbs1 i386 22.1-1 [53.9 kB] Get: 64 http://deb.debian.org/debian buster/main i386 ibverbs-providers i386 22.1-1 [201 kB] Get: 65 http://deb.debian.org/debian buster/main i386 libarmci-mpi-dev i386 0.0~git20180917-2 [50.7 kB] Get: 66 http://deb.debian.org/debian buster/main i386 libblas3 i386 3.8.0-2 [142 kB] Get: 67 http://deb.debian.org/debian buster/main i386 libblas-dev i386 3.8.0-2 [150 kB] Get: 68 http://deb.debian.org/debian buster/main i386 libevent-2.1-6 i386 2.1.8-stable-4 [191 kB] Get: 69 http://deb.debian.org/debian buster/main i386 libevent-core-2.1-6 i386 2.1.8-stable-4 [137 kB] Get: 70 http://deb.debian.org/debian buster/main i386 libevent-pthreads-2.1-6 i386 2.1.8-stable-4 [48.1 kB] Get: 71 http://deb.debian.org/debian buster/main i386 libexpat1-dev i386 2.2.6-2+deb10u1 [156 kB] Get: 72 http://deb.debian.org/debian buster/main i386 libpsm-infinipath1 i386 3.3+20.604758e7-6 [178 kB] Get: 73 http://deb.debian.org/debian buster/main i386 librdmacm1 i386 22.1-1 [68.8 kB] Get: 74 http://deb.debian.org/debian buster/main i386 libfabric1 i386 1.6.2-3 [364 kB] Get: 75 http://deb.debian.org/debian buster/main i386 libglobalarrays-dev i386 5.7-4 [505 kB] Get: 76 http://deb.debian.org/debian buster/main i386 libltdl7 i386 2.4.6-9 [392 kB] Get: 77 http://deb.debian.org/debian buster/main i386 libnuma1 i386 2.0.12-1 [27.7 kB] Get: 78 http://deb.debian.org/debian buster/main i386 libhwloc5 i386 1.11.12-3 [119 kB] Get: 79 http://deb.debian.org/debian buster/main i386 libnuma-dev i386 2.0.12-1 [40.9 kB] Get: 80 http://deb.debian.org/debian buster/main i386 libltdl-dev i386 2.4.6-9 [164 kB] Get: 81 http://deb.debian.org/debian buster/main i386 libhwloc-dev i386 1.11.12-3 [185 kB] Get: 82 http://deb.debian.org/debian buster/main i386 libpciaccess0 i386 0.14-1 [55.7 kB] Get: 83 http://deb.debian.org/debian buster/main i386 ocl-icd-libopencl1 i386 2.2.12-2 [37.2 kB] Get: 84 http://deb.debian.org/debian buster/main i386 libhwloc-plugins i386 1.11.12-3 [17.8 kB] Get: 85 http://deb.debian.org/debian buster/main i386 libnl-3-dev i386 3.4.0-1 [107 kB] Get: 86 http://deb.debian.org/debian buster/main i386 libnl-route-3-dev i386 3.4.0-1 [193 kB] Get: 87 http://deb.debian.org/debian buster/main i386 libibverbs-dev i386 22.1-1 [385 kB] Get: 88 http://deb.debian.org/debian buster/main i386 liblapack3 i386 3.8.0-2 [1974 kB] Get: 89 http://deb.debian.org/debian buster/main i386 liblapack-dev i386 3.8.0-2 [2035 kB] Get: 90 http://deb.debian.org/debian buster/main i386 libpmix2 i386 3.1.2-3 [541 kB] Get: 91 http://deb.debian.org/debian buster/main i386 libopenmpi3 i386 3.1.3-11 [2236 kB] Get: 92 http://deb.debian.org/debian buster/main i386 openmpi-common all 3.1.3-11 [165 kB] Get: 93 http://deb.debian.org/debian buster/main i386 openmpi-bin i386 3.1.3-11 [200 kB] Get: 94 http://deb.debian.org/debian buster/main i386 libopenmpi-dev i386 3.1.3-11 [963 kB] Get: 95 http://deb.debian.org/debian buster/main i386 libpython2.7 i386 2.7.16-2+deb10u1 [1059 kB] Get: 96 http://deb.debian.org/debian buster/main i386 libpython2.7-dev i386 2.7.16-2+deb10u1 [31.4 MB] Get: 97 http://deb.debian.org/debian buster/main i386 libpython2-dev i386 2.7.16-1 [20.9 kB] Get: 98 http://deb.debian.org/debian buster/main i386 libpython-dev i386 2.7.16-1 [20.9 kB] Get: 99 http://deb.debian.org/debian buster/main i386 mpi-default-bin i386 1.13 [4672 B] Get: 100 http://deb.debian.org/debian buster/main i386 libscalapack-openmpi2.0 i386 2.0.2-7+b2 [1371 kB] Get: 101 http://deb.debian.org/debian buster/main i386 libscalapack-openmpi-dev i386 2.0.2-7+b2 [12.9 kB] Get: 102 http://deb.debian.org/debian buster/main i386 mpi-default-dev i386 1.13 [5476 B] Get: 103 http://deb.debian.org/debian buster/main i386 libscalapack-mpi-dev i386 2.0.2-7+b2 [8884 B] Get: 104 http://deb.debian.org/debian buster/main i386 pkg-config i386 0.29-6 [64.7 kB] Get: 105 http://deb.debian.org/debian buster/main i386 python2.7-dev i386 2.7.16-2+deb10u1 [295 kB] Get: 106 http://deb.debian.org/debian buster/main i386 python2-dev i386 2.7.16-1 [1208 B] Get: 107 http://deb.debian.org/debian buster/main i386 python-dev i386 2.7.16-1 [1184 B] Get: 108 http://deb.debian.org/debian buster/main i386 zlib1g-dev i386 1:1.2.11.dfsg-1 [216 kB] Fetched 84.8 MB in 2s (49.8 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libbsd0:i386. 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Setting up openmpi-common (3.1.3-11) ... Setting up libarmci-mpi-dev:i386 (0.0~git20180917-2) ... Setting up libkrb5-3:i386 (1.17-3) ... Setting up libpsm-infinipath1 (3.3+20.604758e7-6) ... update-alternatives: using /usr/lib/libpsm1/libpsm_infinipath.so.1.16 to provide /usr/lib/i386-linux-gnu/libpsm_infinipath.so.1 (libpsm_infinipath.so.1) in auto mode Setting up libbsd0:i386 (0.9.1-2) ... Setting up libelf1:i386 (0.176-1.1) ... Setting up readline-common (7.0-5) ... Setting up libxml2:i386 (2.9.4+dfsg1-7+b3) ... Setting up libreadline7:i386 (7.0-5) ... Setting up libfile-stripnondeterminism-perl (1.1.2-1) ... Setting up libgfortran-8-dev:i386 (8.3.0-6) ... Setting up libevent-pthreads-2.1-6:i386 (2.1.8-stable-4) ... Setting up csh (20110502-4+deb10u1) ... update-alternatives: using /bin/bsd-csh to provide /bin/csh (csh) in auto mode Setting up libtool (2.4.6-9) ... Setting up libhwloc5:i386 (1.11.12-3) ... Setting up gfortran-8 (8.3.0-6) ... Setting up libedit2:i386 (3.1-20181209-1) ... Setting up m4 (1.4.18-2) ... Setting up libhwloc-plugins:i386 (1.11.12-3) ... Setting up gfortran (4:8.3.0-1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up libnuma-dev:i386 (2.0.12-1) ... Setting up libnl-route-3-200:i386 (3.4.0-1) ... Setting up libpython2.7-stdlib:i386 (2.7.16-2+deb10u1) ... Setting up libblas3:i386 (3.8.0-2) ... update-alternatives: using /usr/lib/i386-linux-gnu/blas/libblas.so.3 to provide /usr/lib/i386-linux-gnu/libblas.so.3 (libblas.so.3-i386-linux-gnu) in auto mode Setting up bsdmainutils (11.1.2+b1) ... update-alternatives: using /usr/bin/bsd-write to provide /usr/bin/write (write) in auto mode update-alternatives: using /usr/bin/bsd-from to provide /usr/bin/from (from) in auto mode Setting up libgssapi-krb5-2:i386 (1.17-3) ... Setting up libcroco3:i386 (0.6.12-3) ... Setting up autoconf (2.69-11) ... Setting up dwz (0.12-3) ... Setting up libnl-3-dev:i386 (3.4.0-1) ... Setting up groff-base (1.22.4-3) ... Setting up libblas-dev:i386 (3.8.0-2) ... update-alternatives: using /usr/lib/i386-linux-gnu/blas/libblas.so to provide /usr/lib/i386-linux-gnu/libblas.so (libblas.so-i386-linux-gnu) in auto mode Setting up automake (1:1.16.1-4) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode Setting up libibverbs1:i386 (22.1-1) ... Setting up libpython2.7:i386 (2.7.16-2+deb10u1) ... Setting up liblapack3:i386 (3.8.0-2) ... update-alternatives: using /usr/lib/i386-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/i386-linux-gnu/liblapack.so.3 (liblapack.so.3-i386-linux-gnu) in auto mode Setting up libpython2.7-dev:i386 (2.7.16-2+deb10u1) ... Setting up gettext (0.19.8.1-9) ... Setting up python2.7 (2.7.16-2+deb10u1) ... Setting up libpmix2:i386 (3.1.2-3) ... Setting up ibverbs-providers:i386 (22.1-1) ... Setting up libpython2-stdlib:i386 (2.7.16-1) ... Setting up openssh-client (1:7.9p1-10+deb10u2) ... Setting up man-db (2.8.5-2) ... Not building database; man-db/auto-update is not 'true'. Setting up python2 (2.7.16-1) ... Setting up intltool-debian (0.35.0+20060710.5) ... Setting up libnl-route-3-dev:i386 (3.4.0-1) ... Setting up libltdl-dev:i386 (2.4.6-9) ... Setting up libpython-stdlib:i386 (2.7.16-1) ... Setting up liblapack-dev:i386 (3.8.0-2) ... update-alternatives: using /usr/lib/i386-linux-gnu/lapack/liblapack.so to provide /usr/lib/i386-linux-gnu/liblapack.so (liblapack.so-i386-linux-gnu) in auto mode Setting up libpython2-dev:i386 (2.7.16-1) ... Setting up libhwloc-dev:i386 (1.11.12-3) ... Setting up python (2.7.16-1) ... Setting up python2.7-dev (2.7.16-2+deb10u1) ... Setting up librdmacm1:i386 (22.1-1) ... Setting up python2-dev (2.7.16-1) ... Setting up po-debconf (1.0.21) ... Setting up libibverbs-dev:i386 (22.1-1) ... Setting up libpython-dev:i386 (2.7.16-1) ... Setting up python-dev (2.7.16-1) ... Setting up libfabric1 (1.6.2-3) ... Setting up libopenmpi3:i386 (3.1.3-11) ... Setting up openmpi-bin (3.1.3-11) ... update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode Setting up mpi-default-bin (1.13) ... Setting up libopenmpi-dev:i386 (3.1.3-11) ... update-alternatives: using /usr/lib/i386-linux-gnu/openmpi/include to provide /usr/include/i386-linux-gnu/mpi (mpi-i386-linux-gnu) in auto mode Setting up libscalapack-openmpi2.0 (2.0.2-7+b2) ... Setting up libscalapack-openmpi-dev (2.0.2-7+b2) ... Setting up mpi-default-dev (1.13) ... Setting up libscalapack-mpi-dev (2.0.2-7+b2) ... Setting up debhelper (12.1.1) ... Setting up dh-autoreconf (19) ... Setting up dh-strip-nondeterminism (1.1.2-1) ... Processing triggers for libc-bin (2.28-10) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... 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 i386 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/LINUX || mkdir -p /build/nwchem-6.8.1/lib/LINUX test -d /build/nwchem-6.8.1/bin/LINUX || mkdir -p /build/nwchem-6.8.1/bin/LINUX ./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/LINUX/depend.x ; ) gcc -g -o /build/nwchem-6.8.1/bin/LINUX/depend.x depend.c /bin/rm -f depend.o /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in geom /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in inp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in input /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwctask.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwctask.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pstat /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in rtdb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in hdbm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a make clean Making clean in hdbm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwcutil.a ] ; then \ echo rtdb_seq.o rtdb_f2c.o rtdb.o context.o context_f2c.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in task /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwctask.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwctask.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in symmetry /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in util /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in md5 /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a make clean Making clean in md5 /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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 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/LINUX/libnwcutil.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpeigs.a rm -f peigs_stamp.LINUX include_stamp Making realclean in perfm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libperfm.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libperfm.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in bq /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libbq.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libbq.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cons /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libcons.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libcons.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in NWints /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in api /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in int /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in auxil /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ints_sp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in deriv /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in texas /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ecp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in hondo /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in rel /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dk /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in simint /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in module /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in source /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX/': 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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in source /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libnwints.a make clean Making clean in api /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in int /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in auxil /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in ints_sp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in deriv /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in texas /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in ecp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in hondo /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in rel /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in dk /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in simint /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in module /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; Making clean in source /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ 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/LINUX/libnwints.a ] ; then \ echo intgrl_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in atomscf /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libguess.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libguess.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libguess.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ddscf /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in fast /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libddscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libddscf.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libddscf.a make clean Making clean in fast /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/libddscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libddscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libddscf.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in gradients /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libgradients.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libgradients.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libgradients.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in moints /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libmoints.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libmoints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libmoints.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in nwdft /build/nwchem-6.8.1/bin/LINUX/depend.x -I./include -I./grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in include /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX/': 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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in input_dft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in scf_dft_cg /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in so_dft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in util /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in grid /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dftgrad /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lr_tddft /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lr_tddft_grad /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in zora /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in rt_tddft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in matutils /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in rtutils /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in input /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in init /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in canorg /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in propagators /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in closedshell /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in openshell /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libnwdft.a make clean Making clean in matutils /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in rtutils /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in input /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in init /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in canorg /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in propagators /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in closedshell /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in openshell /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libnwdft.a make clean Making clean in include /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; Making clean in input_dft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in scf_dft_cg /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in so_dft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in util /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in grid /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in dftgrad /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in lr_tddft /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in lr_tddft_grad /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in zora /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in rt_tddft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in matutils /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in rtutils /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in input /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in init /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in canorg /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in propagators /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in closedshell /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; Making clean in openshell /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ] ; then \ echo nwdft.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwdft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in rimp2 /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/librimp2.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/librimp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/librimp2.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in stepper /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libstepper.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libstepper.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libstepper.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in driver /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libdriver.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libdriver.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libdriver.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in optim /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in deloc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mepgs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in tropt /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in neb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in string /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/liboptim.a make clean Making clean in deloc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in mepgs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in tropt /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in neb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ fi ; \ fi ; Making clean in string /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/liboptim.a ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/liboptim.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cphf /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libcphf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libcphf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/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/LINUX/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/LINUX/libccsd.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libccsd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libccsd.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in vib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libvib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libvib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libvib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mcscf /build/nwchem-6.8.1/bin/LINUX/depend.x -I../ddscf -I./detci -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in detci /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libmcscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libmcscf.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libmcscf.a make clean Making clean in detci /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libmcscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libmcscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libmcscf.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in prepar /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libprepar.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libprepar.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libprepar.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in esp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libesp.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libesp.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libesp.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in hessian /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in analytic /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in dft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../../nwdft/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libhessian.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libhessian.a make clean Making clean in dft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../../nwdft/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libhessian.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libhessian.a make clean Making clean in analytic /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in dft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../../nwdft/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libhessian.a ] ; then \ echo hess_blas.o hess_input.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libhessian.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libhessian.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in selci /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libselci.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libselci.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libselci.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dplot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libdplot.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libdplot.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libdplot.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mp2_grad /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libmp2.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libmp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libmp2.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in qhop /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libqhop.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libqhop.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libqhop.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in property /build/nwchem-6.8.1/bin/LINUX/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libproperty.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libproperty.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libproperty.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in solvation /build/nwchem-6.8.1/bin/LINUX/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libsolvation.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libsolvation.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libsolvation.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in nwpw /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in nwpwlib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in Parallel /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in D1dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in D3dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in Pneb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in K1dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in C3dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in DMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in CMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in TMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in control /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lattice /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in io /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ion /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in shake /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a make clean Making clean in shake /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pseudopotential /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in paw_atom /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a make clean Making clean in paw_atom /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in utilities /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in paw_utilities /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a make clean Making clean in paw_utilities /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in unitcell /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in brillouin_zone /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in fractional /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in linesearch /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in timing /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ewald /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in thermostats /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in MetaDynamics /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in TAMD /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in FMM /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in md_xs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in FEFF6L /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a make clean Making clean in FEFF6L /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in nwpwxc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX/': 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/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D1dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D3dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in Pneb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in K1dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in C3dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in DMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in CMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in control /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in lattice /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in io /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ion /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in shake /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in pseudopotential /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in paw_atom /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in utilities /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in paw_utilities /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in unitcell /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in brillouin_zone /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in fractional /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in linesearch /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in timing /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ewald /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in thermostats /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in MetaDynamics /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TAMD /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in FMM /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in md_xs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in FEFF6L /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in nwpwxc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in libraryps /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pspw /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in exchange-correlation /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in sic /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in hfx /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo pspw_hfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ion /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in psp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in aorbs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in truncating_function /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX/': 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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in exchange-correlation /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in sic /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_hfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in ion /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in psp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in aorbs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in truncating_function /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in kbpp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in makepsi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cgsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in analysis /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in APC /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libpspw.a make clean Making clean in APC /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in qmmm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in pspw_LJ /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pspw_Q /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pspw_Pair /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mmq /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libpspw.a make clean Making clean in pspw_LJ /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Q /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Pair /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in mmq /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in charge /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo pspw_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dplot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lcao /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libpspw.a make clean Making clean in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in exchange-correlation /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in sic /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_hfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in ion /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in psp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in aorbs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in truncating_function /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; Making clean in kbpp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in makepsi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cgsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in analysis /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in APC /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in qmmm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in pspw_LJ /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Q /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Pair /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in mmq /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in charge /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in dplot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in lcao /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in paw_geometry /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_ma /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_utils /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_basis /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_proj /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_matrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_ovlp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_comp_charge /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_special_functions /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_gaunt /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_kinetic /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_vloc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_ion_potential /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_core /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_hartree /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_comp_pot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_mult /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_nonlocal /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_density /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_xc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_force /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in paw_psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cgsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libpaw.a make clean Making clean in paw_geometry /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ma /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_utils /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_basis /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_proj /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_matrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ovlp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_charge /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_special_functions /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_gaunt /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_kinetic /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_vloc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ion_potential /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_core /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_hartree /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_pot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_mult /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_nonlocal /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_density /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_xc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_force /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cgsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in band /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in minimizer /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in structure /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in kbpp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in makepsi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in cpsp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in hfx /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in borbs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX/': 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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in borbs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in dplot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in analysis /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libband.a make clean Making clean in minimizer /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in structure /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in kbpp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in makepsi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in cpsp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in borbs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; Making clean in dplot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in analysis /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ofpw /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in minimizer /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in chi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in WGC /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX/': 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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in WGC /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libofpw.a make clean Making clean in minimizer /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in chi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in WGC /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ 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/LINUX/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libnwpw.a make clean Making clean in nwpwlib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in Parallel /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D1dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in D3dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in Pneb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in K1dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in C3dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in DMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in CMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in control /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in lattice /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in io /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ion /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in shake /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in pseudopotential /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in paw_atom /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in utilities /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in paw_utilities /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in unitcell /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in brillouin_zone /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in fractional /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in linesearch /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in timing /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in ewald /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in thermostats /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in MetaDynamics /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in TAMD /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in FMM /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in md_xs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in FEFF6L /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in nwpwxc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; Making clean in libraryps /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ; \ fi ; \ fi ; Making clean in pspw /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in exchange-correlation /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in sic /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_hfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in ion /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in psp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in aorbs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in truncating_function /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; Making clean in kbpp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in makepsi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cgsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in analysis /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in APC /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in qmmm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in pspw_LJ /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Q /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in pspw_Pair /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in mmq /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in charge /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ] ; then \ echo pspw_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in dplot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in lcao /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpspw.a ; \ fi ; \ fi ; Making clean in paw /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in paw_geometry /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ma /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_utils /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_basis /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_proj /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_matrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ovlp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_charge /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_special_functions /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_gaunt /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_kinetic /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_vloc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_ion_potential /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_core /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_hartree /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_comp_pot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_mult /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_nonlocal /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_density /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_xc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_force /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in paw_psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cgsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpaw.a ; \ fi ; \ fi ; Making clean in band /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in minimizer /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in structure /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in kbpp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in makepsi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in cpsp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in hfx /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in borbs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; Making clean in dplot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in analysis /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libband.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libband.a ; \ fi ; \ fi ; Making clean in ofpw /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in minimizer /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in chi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ fi ; \ fi ; Making clean in WGC /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ 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/LINUX/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libofpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpw.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpw.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in fft /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in pfft1.0 /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in fftpack /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpfft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in pfft /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpfft.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX/': 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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpfft.a ; \ fi ; \ fi ; Making clean in pfft /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in pfftwrap /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpfft.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libpfft.a make clean Making clean in pfft1.0 /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in fftpack /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpfft.a ; \ fi ; \ fi ; Making clean in pfft /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; Making clean in pfftwrap /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpfft.a ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libpfft.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libpfft.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in python /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/python2.7 -I/usr/include -I/usr/Include -I/usr -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwpython.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwpython.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwpython.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in analyz /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libanalyze.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libanalyze.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libanalyze.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in nwmd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libnwmd.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libnwmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libnwmd.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cafe /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libcafe.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libcafe.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libcafe.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in space /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libspace.a ] ; then \ echo sp_init.o sp_main.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libspace.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libspace.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libspace.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in drdy /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libdrdy.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libdrdy.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libdrdy.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in vscf /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libvscf.a ] ; then \ echo vscf_input.o vscf.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libvscf.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libvscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libvscf.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in qmmm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libqmmm.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libqmmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libqmmm.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in qmd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libqmd.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libqmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libqmd.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in etrans /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libetrans.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libetrans.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libetrans.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in tce /build/nwchem-6.8.1/bin/LINUX/depend.x -I./include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in include /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX/': 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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in diis /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in diis2 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in gradients /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_lambda /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in eomccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_t /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cr-eomccsd_t /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lrh /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in emb /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lccd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in lccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in qcisd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cc3 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mbpt1 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mbpt2 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mbpt3 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mbpt4 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cis /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cisd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cisdt /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cisdtq /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_act /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in eomccsd_act /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cr_eomccsd_t_act /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in sort /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in eaccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ipccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsdt /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsdt_lambda /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in eomccsdt /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_alpha /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_beta /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_yr /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in response /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mrcc /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I./include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making realclean in include /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/ rm: cannot remove '/build/nwchem-6.8.1/lib/LINUX/': 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/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_sub /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccsd_t /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in uss /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libtce.a make clean Making clean in include /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; Making clean in ccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_sub /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_t /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in uss /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/libtce.a make clean Making clean in include /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; Making clean in diis /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in diis2 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in gradients /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_lambda /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in eomccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_t /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cr-eomccsd_t /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in lrh /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in emb /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in lccd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in lccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in qcisd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cc3 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt1 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt2 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt3 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mbpt4 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cis /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cisd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cisdt /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cisdtq /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_act /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in eomccsd_act /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in cr_eomccsd_t_act /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in sort /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in eaccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ipccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsdt /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsdt_lambda /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in eomccsdt /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_alpha /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_beta /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_yr /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in response /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in mrcc /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I./include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making clean in include /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/ ] ; then \ echo | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/ ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/ ; \ fi ; \ fi ; Making clean in ccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_sub /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in ccsd_t /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; Making clean in uss /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libtce.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libtce.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in bq /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libbq.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libbq.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in mm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libmm.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libmm.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in cons /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libcons.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libcons.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in perfm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libperfm.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libperfm.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dntmc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libdntmc.a ] ; then \ echo dntmc_input.o dntmc_setgeom.o gibbs.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libdntmc.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libdntmc.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libdntmc.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dangchang /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libdangchang.a ] ; then \ echo dc_initialize.o dc_setgeom.o dc_energy.o| xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libdangchang.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libdangchang.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libdangchang.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in ccca /build/nwchem-6.8.1/bin/LINUX/depend.x -I../basis -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libccca.a ] ; then \ echo task_ccca.o ccca_utils.o | xargs -n 300 ar d /build/nwchem-6.8.1/lib/LINUX/libccca.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libccca.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libccca.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in dimqm /build/nwchem-6.8.1/bin/LINUX/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies rm -f -f *~ \#*\# makefile.bak /build/nwchem-6.8.1/lib/LINUX/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/LINUX/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/LINUX/libdimqm.a ; \ if [ `ar t /build/nwchem-6.8.1/lib/LINUX/libdimqm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/nwchem-6.8.1/lib/LINUX/libdimqm.a ; \ fi ; \ fi ; rm -f dependencies Making realclean in config /bin/rm -f /build/nwchem-6.8.1/bin/LINUX/depend.x depend.o /bin/rm -f nwchem_config.h NWCHEM_CONFIG rm -f /build/nwchem-6.8.1/lib/LINUX/*.a /build/nwchem-6.8.1/bin/LINUX/* 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/LINUX (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 (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[2]: Leaving directory '/build/nwchem-6.8.1/src' (cd /build/nwchem-6.8.1/src && make) make[2]: Entering directory '/build/nwchem-6.8.1/src' test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/nwchem-6.8.1/lib/LINUX || mkdir -p /build/nwchem-6.8.1/lib/LINUX test -d /build/nwchem-6.8.1/bin/LINUX || mkdir -p /build/nwchem-6.8.1/bin/LINUX ./util/util_nwchem_version.bash Making libraries in include for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm; do \ echo Making include_stamp in /build/nwchem-6.8.1/src/$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 ( cd /build/nwchem-6.8.1/src/config; make /build/nwchem-6.8.1/bin/LINUX/depend.x ; ) gcc -g -o /build/nwchem-6.8.1/bin/LINUX/depend.x depend.c /bin/rm -f depend.o /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in hdbm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in md5 /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in api /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in deriv /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in simint /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in module /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in source /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in fast /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I./include -I./grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in include /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in input_dft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in grid /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in dftgrad /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lr_tddft /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lr_tddft_grad /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in zora /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include -I../grid -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include -I../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in matutils /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in input /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in init /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in canorg /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in propagators /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in closedshell /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in openshell /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in deloc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mepgs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in tropt /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in neb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in string /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../ddscf -I./detci -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in detci /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in analytic /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in dft /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../../nwdft/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../nwdft/include -I../ddscf -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in nwpwlib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in Parallel /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in D3dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in Pneb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in K1dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in C3dB /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in DMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in CMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in TMatrix /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in control /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lattice /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in io /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ion /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in shake /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_atom /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in utilities /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_utilities /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in brillouin_zone /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in fractional /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in timing /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ewald /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in thermostats /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in MetaDynamics /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in TAMD /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in FMM /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in md_xs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in FEFF6L /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in nwpwxc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in pspw /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in exchange-correlation /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in sic /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in hfx /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ion /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in psp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in aorbs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in truncating_function /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in kbpp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in makepsi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cgsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in analysis /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in APC /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in qmmm /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in pspw_LJ /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in pspw_Q /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in pspw_Pair /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mmq /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in charge /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in dplot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lcao /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in paw /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_geometry /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../include/ -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in paw_density /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in paw_xc /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in paw_psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cgsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in band /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in minimizer /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in structure /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cell_optimize /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in kbpp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in makepsi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in cpsp /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in coulomb /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in psi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in hfx /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in Grsm_list /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in borbs /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in dplot /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in analysis /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in ofpw /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in minimizer /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../nwpwlib/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cpsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lib /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in chi /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in electron /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ke /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in WGC /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in pfft1.0 /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in fftpack /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in pfft /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp touch include_stamp Making include_stamp in pfftwrap /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include/python2.7 -I/usr/include -I/usr/Include -I/usr -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I./include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in include /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in diis /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in diis2 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in gradients /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_lambda /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in eomccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_t /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cr-eomccsd_t /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lrh /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in emb /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lccd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in lccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in qcisd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cc3 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mbpt1 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mbpt2 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mbpt3 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mbpt4 /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cis /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cisd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cisdt /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cisdtq /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_act /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in eomccsd_act /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in cr_eomccsd_t_act /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in sort /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in eaccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ipccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsdt /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsdt_lambda /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in eomccsdt /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_alpha /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_beta /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_yr /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in response /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in mrcc /build/nwchem-6.8.1/bin/LINUX/depend.x -I../include -I./include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies Making include_stamp in include /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_sub /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in ccsd_t /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies touch include_stamp Making include_stamp in uss /build/nwchem-6.8.1/bin/LINUX/depend.x -I../../include -I../include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../basis -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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/LINUX/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib > dependencies cp -p dimqm.fh dimqm_constants.fh /build/nwchem-6.8.1/src/include touch include_stamp Making libraries in basis Compiling basis.F... 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/LINUX/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwcutil.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwctask.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwctask.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a Making libraries in rtdb Compiling rtdb_seq.c... Compiling rtdb_f2c.c... rtdb_f2c.c: In function 'rtdb_getfname_': rtdb_f2c.c:170:69: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'size_t' {aka 'unsigned int'} [-Wformat=] (void) fprintf(stderr, "rtdb_fname: mbuf is too small, need=%ld\n",strlen(mbuf)); ~~^ ~~~~~~~~~~~~ %d Compiling rtdb.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] Integer type = msg_type; ^~~~ 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... hdbm.c: In function 'datum_fread': hdbm.c:305:51: warning: format '%lu' expects argument of type 'long unsigned int', but argument 3 has type 'size_t' {aka 'unsigned int'} [-Wformat=] fprintf(stderr, "datum_fread: failed to malloc %lu\n", size); ~~^ ~~~~ %u hdbm.c:314:54: warning: format '%lu' expects argument of type 'long unsigned int', but argument 3 has type 'size_t' {aka 'unsigned int'} [-Wformat=] fprintf(stderr, "datum_fread: failed to read data %lu\n", size); ~~^ ~~~~ %u Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a hdbm.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a rtdb_seq.o rtdb_f2c.o rtdb.o context.o context_f2c.o ranlib /build/nwchem-6.8.1/lib/LINUX/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... Compiling task_jefftce.F... Compiling task_ncc.F... Compiling task_rfcf.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwctask.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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... 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... util_system.c: In function 'util_system_': util_system.c:40:9: warning: unused variable 'Siginit' [-Wunused-variable] void (*Siginit)(); ^~~~~~~ util_system.c:39:9: warning: unused variable 'i' [-Wunused-variable] int i; ^ 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... /build/nwchem-6.8.1/bin/LINUX/depend.x -I/usr/include/i386-linux-gnu/mpi -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-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:143:0: d(l) = h 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 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/LINUX/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a md5wrap.o md5.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwcutil.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 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 ranlib /build/nwchem-6.8.1/lib/LINUX/libnwcutil.a Making libraries in peigs (make lib ) || exit 1 (cd ./src/c; make) Compiling clustrfix.c... clustrfix.c: In function 'clustrfix_': 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... 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:257:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); ~~^ ~~ %d clustrxx5.c:258:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] fprintf( stderr, " me = %ld recv_num and/or send_num > 1. \n", me); ~~^ ~~ %d clustrxx5.c:262:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); ~~^ ~~ %d clustrxx5.c:263:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] fprintf( stderr, " me = %ld send_cl != cl_num - 1. \n", me); ~~^ ~~ %d clustrxx5.c:268:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); ~~^ ~~ %d clustrxx5.c:269:35: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] fprintf( stderr, " me = %ld recv_cl != 0. \n", me); ~~^ ~~ %d clustrxx5.c:325:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] fprintf( stderr, " me = %ld Internal Error in PEIGS clustrinv. \n", me ); ~~^ ~~ %d clustrxx5.c:326:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] fprintf( stderr, " me = %ld Swapping of initial cluster data \n", me); ~~^ ~~ %d clustrxx5.c:327:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] fprintf( stderr, " me = %ld does not have a well defined start. \n", me); ~~^ ~~ %d clustrxx5.c:328:33: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'Integer' {aka 'int'} [-Wformat=] fprintf( stderr, " me = %ld clustrinv,mgs cannot handle this. \n", me); ~~^ ~~ %d clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; ^~~~ 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: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: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:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] Integer i, j, iii, me, nproc; ^~~~~ Compiling b_ortho.c... 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... 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... Compiling exit2.c... 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: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... Compiling mgs5.c... Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... Compiling pdspev_c.c... pdspev_c.c: In function 'pdspev': 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: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:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] Integer i, j, k, isize, msize, me, nproc; ^~~~~ Compiling pdspgvx.c... Compiling pdsptri.c... 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... 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... 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... 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... Compiling pgexit.c... 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:653:32: warning: 'nlow' may be used uninitialized in this function [-Wmaybe-uninitialized] il = ifakeme * (ncol + 1) + 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:477:20: warning: 'xjm' may be used uninitialized in this function [-Wmaybe-uninitialized] if (fabs(sep) > fabs(sepfine*MAX(fabs(xj),fabs(xjm)))) { ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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/LINUX/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/LINUX/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:194:0: $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL Warning: 'wu' may be used uninitialized in this function [-Wmaybe-uninitialized] dstebz3.F:457:0: IF( IRANGE.EQ.1 .OR. WL.GE.D( IBEGIN )-PIVMIN ) 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... Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... Compiling pdspev_f.c... Compiling pdspevx_f.c... Compiling pdspgv_f.c... Compiling pdspgvx_f.c... Compiling resid_f.c... Compiling residual_f.c... 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/LINUX/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpeigs.a touch peigs_stamp.LINUX 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/LINUX/libperfm.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libperfm.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libbq.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libbq.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libcons.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libcons.a ranlib /build/nwchem-6.8.1/lib/LINUX/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 :6:0: 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 :6:0: 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/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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(4) [-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 (56 vs 336 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 (280 vs 336 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 (760008 vs 12 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 (12 vs 760008 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 (12 vs 760008 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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-Wargument-mismatch] texas_hf.F:485:72: * bl(iqorder),ngcont) 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-Wargument-mismatch] assemblx.F:1438:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1456:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1473:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1491:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1506:72: * bl(indx),ij3b,kl3b) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1519:72: * bl(indx), ij3b,kl3b) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1531:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1543:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1555:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1567:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1582:72: * lck,lcij,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1593:72: * lcl,lcij,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1604:72: * lci,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1615:72: * lcj,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-Wargument-mismatch] assemblx.F:1626:72: * lcij,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-Wargument-mismatch] 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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-Wargument-mismatch] Compiling spec_destiny.F... 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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-Wargument-mismatch] Compiling missing.f... Compiling texas_stubs.F... texas_stubs.F:7:0: #define USE_TEXAS Warning: "USE_TEXAS" redefined :6:0: 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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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:207:0: if (doV) call ecp_matpr(V(i,1),1,n_all_b,1,n_all_a, Warning: 'dov' may be used uninitialized in this function [-Wmaybe-uninitialized] rel_oneld_cosmo.F:113:0: logical doV ! compute potential (True/False) note: 'dov' was declared here Compiling rel_2e4cd_sf.F... Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwints.a Making all in simint Making all in module Compiling nwcsim_module.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwints.a nwcsim_module.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwints.a Making all in source Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwints.a nwcsim_facef90.o nwcsim_hf2.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwints.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwints.a intgrl_input.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libguess.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libguess.a ranlib /build/nwchem-6.8.1/lib/LINUX/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] 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(4) [-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(4) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX/libddscf.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libddscf.a ranlib /build/nwchem-6.8.1/lib/LINUX/libddscf.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libddscf.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libgradients.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libgradients.a ranlib /build/nwchem-6.8.1/lib/LINUX/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(4) [-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(4) 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(4) [-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(4) 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(4) 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/LINUX/libmoints.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libmoints.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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... 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; ^~~~~~ 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(4) to INTEGER(4) [-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... 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:380:0: & + 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:380:0: & + 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:380:0: & + 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:267:0: 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:266:0: 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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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] 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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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... 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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libnwdft.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwdft.a rt_tddft.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwdft.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwdft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwdft.a nwdft.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/librimp2.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/librimp2.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libstepper.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libstepper.a ranlib /build/nwchem-6.8.1/lib/LINUX/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 daxpy(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) - ddot(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) - ddot(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) - ddot(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/LINUX/libdriver.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libdriver.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/liboptim.lock ar rU /build/nwchem-6.8.1/lib/LINUX/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /build/nwchem-6.8.1/lib/LINUX/liboptim.a ranlib /build/nwchem-6.8.1/lib/LINUX/liboptim.a Making all in mepgs Compiling mepgs_drv.F... Compiling mepgs_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/liboptim.lock ar rU /build/nwchem-6.8.1/lib/LINUX/liboptim.a mepgs_drv.o mepgs_input.o ranlib /build/nwchem-6.8.1/lib/LINUX/liboptim.a Making all in tropt Compiling tropt_drv.F... Compiling tropt_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/liboptim.lock ar rU /build/nwchem-6.8.1/lib/LINUX/liboptim.a tropt_drv.o tropt_input.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/liboptim.lock ar rU /build/nwchem-6.8.1/lib/LINUX/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o ranlib /build/nwchem-6.8.1/lib/LINUX/liboptim.a Making all in string Compiling string.F... Compiling string_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/liboptim.lock ar rU /build/nwchem-6.8.1/lib/LINUX/liboptim.a string.o string_input.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libcphf.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libcphf.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libccsd.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libccsd.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libvib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libvib.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libmcscf.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libmcscf.a ranlib /build/nwchem-6.8.1/lib/LINUX/libmcscf.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libmcscf.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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... 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/LINUX/libprepar.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libprepar.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libesp.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libesp.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libhessian.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libhessian.a ranlib /build/nwchem-6.8.1/lib/LINUX/libhessian.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libhessian.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libhessian.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libhessian.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libhessian.a hess_blas.o hess_input.o ranlib /build/nwchem-6.8.1/lib/LINUX/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:149:0: d(l) = h 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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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/LINUX/libselci.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libselci.a ranlib /build/nwchem-6.8.1/lib/LINUX/libselci.a Making libraries in dplot Compiling dplot.F... dplot.F:441:0: Call dcopy(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/LINUX/libdplot.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libdplot.a ranlib /build/nwchem-6.8.1/lib/LINUX/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] 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/LINUX/libmp2.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libmp2.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libqhop.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libqhop.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libproperty.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libproperty.a ranlib /build/nwchem-6.8.1/lib/LINUX/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(4) [-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(4) [-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(4) [-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] Got lock on /build/nwchem-6.8.1/lib/LINUX/libsolvation.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libsolvation.a ranlib /build/nwchem-6.8.1/lib/LINUX/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 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-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 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-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 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-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 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-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 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:966:72: call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:971:72: call stupid_icopy4to8(n,int_mb(sumall(1)),sum) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:1162:72: call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:1165:72: call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:1252:72: call stupid_icopy8to4(nreq,req,int_mb(request2(1))) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:1327:72: call stupid_icopy8to4(nreq,req,int_mb(request2(1))) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:1668:72: call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:1673:72: call stupid_icopy4to8(n,int_mb(sumall(1)),sum) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:1874:72: call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:1877:72: call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:2249:72: call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Parallel-mpi.F:2388:72: call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) 1 Warning: Type mismatch in argument 'array8' at (1); passed INTEGER(4) to INTEGER(8) [-Wargument-mismatch] Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Pneb.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Making all in K1dB Compiling K1dB.F... Compiling K1dB-mpi.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a K1dB.o K1dB-mpi.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Making all in DMatrix Compiling DMatrix.F... Compiling DMatrix-mpi.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a DMatrix.o DMatrix-mpi.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a CMatrix.o CMatrix-mpi.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o dscal_omp.o ffm_multiply_omp_group.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o get_psp_type.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a compressed_io.o nwpw_message.o second.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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; ^ 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; ^~ 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... 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... Compiling gaussj.c... 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; ^~~~ 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:99:18: warning: 'irow' may be used uninitialized in this function [-Wmaybe-uninitialized] index[i] = irow; ~~~~~~~~~^~~~~~ 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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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 dcopy(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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Making all in unitcell Compiling simulation_cell_input.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a simulation_cell_input.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Making all in brillouin_zone Compiling brillouin_zone_input.F... Compiling brillioun.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a brillouin_zone_input.o brillioun.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Making all in linesearch Compiling linesearch.F... Compiling Order_Values.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a linesearch.o Order_Values.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Making all in timing Compiling nwpw_timing.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a nwpw_timing.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Making all in ewald Compiling ewald.F... ewald.F:1131:0: integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ewald.F:1698:0: integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ewald.F:2259:0: integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) 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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a ewald.o ewald_strfac.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Making all in thermostats Compiling nose-hoover.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a nose-hoover.o ranlib /build/nwchem-6.8.1/lib/LINUX/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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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(4) [-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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a tamd_input.o tamd.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Making all in FMM Compiling fmm.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a fmm.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a feff6Lib.o ranlib /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a md_xs_input.o md_xs.o ranlib /build/nwchem-6.8.1/lib/LINUX/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... Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... nwpwxc_c_tpss03.F: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: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:642:13: warning: 'Gec_b0_rb' may be used uninitialized in this function [-Wmaybe-uninitialized] Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:641:13: warning: 'Gec_a0_ra' may be used uninitialized in this function [-Wmaybe-uninitialized] Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ 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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpwlib.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a psi_H.o psi_Hv4.o electron.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Making all in ke Compiling ke.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a ke.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Making all in sic Compiling pspw_sic.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a pspw_sic.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Making all in hfx Compiling pspw_hfx.F... Compiling pspw_hfx_localized.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a pspw_hfx.o pspw_hfx_localized.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Making all in ion Compiling ion_ion.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a ion_ion.o ranlib /build/nwchem-6.8.1/lib/LINUX/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:3461:0: rholm_ae(ig,ms,lm) = taunt*rholm_ae(ig,ms,1) 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[_547]' 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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a aorbs.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Making all in truncating_function Compiling truncating_function.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a truncating_function.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Making all in makepsi Compiling wvfnc_init_input.F... Compiling wvfnc_init.F... wvfnc_init.F:135:0: dcpl_mb(cfull_indx+l1) = cc Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_init.F:36:0: double complex cc,cx,sx,zx note: 'IMAGPART_EXPR ' was declared here wvfnc_init.F:135:0: dcpl_mb(cfull_indx+l1) = cc Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_init.F:36:0: double complex cc,cx,sx,zx note: 'REALPART_EXPR ' was declared here Compiling wvfnc_new.F... wvfnc_new.F:213:0: dcpl_mb(cfull_indx+l1) = cc Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_new.F:213:0: 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:213:0: dcpl_mb(cfull_indx+l2)=dconjg(cc) Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_adjust.F:213:0: 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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a pspw_LJ.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Making all in pspw_Q Compiling pspw_Q.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a pspw_Q.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Making all in pspw_Pair Compiling pspw_Pair.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a pspw_Pair.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Making all in mmq Compiling mmq.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a mmq.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Making all in charge Compiling pspw_charge.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a pspw_charge.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libpspw.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libpspw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpspw.a task_pspw.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_ma.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libpaw.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpaw.a Making all in paw_proj Compiling paw_proj.F... paw_proj.F:918:0: complex*16 coef 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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_proj.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpaw.a Making all in paw_matrix Compiling paw_comp_charge_matrix.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_comp_charge_matrix.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_ovlp.o paw_overlap_matrix.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpaw.a Making all in paw_comp_charge Compiling paw_comp_charge.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_comp_charge.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpaw.a Making all in paw_gaunt Compiling paw_gaunt.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_gaunt.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_energy_core_atom.o paw_matrix_core.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpaw.a Making all in paw_nonlocal Compiling paw_nonlocal.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_nonlocal.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_density.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpaw.a Making all in paw_force Compiling paw_force.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_force.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_Grsm_list.o paw_lmbfgs.o ranlib /build/nwchem-6.8.1/lib/LINUX/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] 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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o ranlib /build/nwchem-6.8.1/lib/LINUX/libpaw.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libpaw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpaw.a task_paw.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o ranlib /build/nwchem-6.8.1/lib/LINUX/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] Got lock on /build/nwchem-6.8.1/lib/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o ranlib /build/nwchem-6.8.1/lib/LINUX/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] 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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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:262:0: dcpl_mb(cfull_indx+l2)=dconjg(cc) 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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o ranlib /build/nwchem-6.8.1/lib/LINUX/libband.a Making all in lib Making all in cpsp Compiling cpsp.F... cpsp.F:935:0: occ_shift = occ_shift+1 Warning: 'occ_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:1433:0: occ_shift = occ_shift+1 Warning: 'occ_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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o ranlib /build/nwchem-6.8.1/lib/LINUX/libband.a Making all in ke Compiling cke.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a cke.o ranlib /build/nwchem-6.8.1/lib/LINUX/libband.a Making all in coulomb Compiling c_coulomb.F... Compiling c_coulomb_screened.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a c_coulomb.o c_coulomb_screened.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a c_electron.o cpsi_H.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a band_hfx.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a band_Grsm_list.o band_lmbfgs.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a borbs.o borb_projector.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a band_analysis.o orb_pop_borb.o ranlib /build/nwchem-6.8.1/lib/LINUX/libband.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libband.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libofpw.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o ranlib /build/nwchem-6.8.1/lib/LINUX/libofpw.a Making all in electron Compiling chi_H.F... Compiling chi_Hv4.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libofpw.a chi_H.o chi_Hv4.o ranlib /build/nwchem-6.8.1/lib/LINUX/libofpw.a Making all in ke Compiling v_thomasfermi.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libofpw.a v_thomasfermi.o ranlib /build/nwchem-6.8.1/lib/LINUX/libofpw.a Making all in WGC Compiling wgc.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libofpw.a wgc.o ranlib /build/nwchem-6.8.1/lib/LINUX/libofpw.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libofpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libofpw.a ofpw_energy.o task_ofpw.o ranlib /build/nwchem-6.8.1/lib/LINUX/libofpw.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libnwpw.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libnwpw.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpfft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpfft.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libpfft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libpfft.a Making all in pfftwrap Compiling nwfft3d.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libpfft.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libpfft.a nwfft3d.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwpython.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libnwpython.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libanalyze.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libanalyze.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwmd.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libnwmd.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libcafe.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libcafe.a ranlib /build/nwchem-6.8.1/lib/LINUX/libcafe.a Making libraries in space Compiling sp_init.F... Compiling sp_main.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libspace.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libspace.a sp_init.o sp_main.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libspace.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libdrdy.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libdrdy.a ranlib /build/nwchem-6.8.1/lib/LINUX/libdrdy.a Making libraries in vscf Compiling vscf_input.F... Compiling vscf.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libvscf.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libvscf.a vscf_input.o vscf.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libvscf.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libqmmm.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libqmmm.a ranlib /build/nwchem-6.8.1/lib/LINUX/libqmmm.a Making libraries in qmd Compiling qmd_init.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_init.F:109:0: m_nh(ichain) = nh_mass(ichain) ! mass of chains Warning: 'nh_mass[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] qmd_init.F:109:0: Warning: 'nh_mass[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling qmd_driver.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_main.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_input.F... Compiling qmd_start.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] 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... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_kinetic.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_write_trj.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_write_rst.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_read_rst.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_gamdev.F... Compiling qmd_sumno.F... Compiling qmd_fix_momentum.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_freeze_inactive.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_cavity.F... Compiling qmd_energy.F... Compiling qmd_coup.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_move_civecs.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_elec_prop.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_tdks_enmo.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_tddft_enmo.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_namd_init.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_namd_input.F... Compiling qmd_set_den.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_coords_vels.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_civecs_read.F... qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'tau' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'r_nh' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmd_common.fh:33:29: common/qmd_thermostats/do_berendsen,tau, 1 Warning: Padding of 4 bytes required before 'friction' in COMMON 'qmd_thermostats' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling qmd_property.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libqmd.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libqmd.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libetrans.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libetrans.a ranlib /build/nwchem-6.8.1/lib/LINUX/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... 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... tce_mo2e_zones_4a_disk_4s_new_patch.F:256:0: if(i.eq.ip_max1) go to 771 Warning: 'ip_max1' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch.F:101:0: integer size_max1,size_max2,ip_max1,ip_max2 note: 'ip_max1' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:0: 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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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... 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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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... lr_ccsd_tq.F:390:0: 4 t_p5b,t_p6b,t_p7b,t_p8b,1) Warning: 'k_right' is used uninitialized in this function [-Wuninitialized] lr_ccsd_tq.F:395:0: &,1) Warning: 'k_left' is used uninitialized in this function [-Wuninitialized] 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(4) [-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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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_sum' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:47:0: integer spin_sum,spin_suml note: 'spin_sum' was declared here 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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a tce_loc_j1.o tce_loc_j2.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o ranlib /build/nwchem-6.8.1/lib/LINUX/libtce.a Making all in ccd Compiling ccd_e.F... Compiling ccd_t2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a ccd_e.o ccd_t2.o ranlib /build/nwchem-6.8.1/lib/LINUX/libtce.a Making all in lccd Compiling lccd_e.F... Compiling lccd_t2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a lccd_e.o lccd_t2.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libtce.a Making all in mbpt1 Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a mbpt1_t1.o mbpt1_t2.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o ranlib /build/nwchem-6.8.1/lib/LINUX/libtce.a Making all in mbpt4 Compiling mbpt4_e.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a mbpt4_e.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a cisd_e.o cisd_c1.o cisd_c2.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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:109:0: if(k.le.(id+ia)) iacounts(k) = 1 Warning: 'id' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:0: integer id,ia,ib note: 'id' was declared here 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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libtce.a ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libtce.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libtce.a Got lock on /build/nwchem-6.8.1/lib/LINUX/libtce.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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 ranlib /build/nwchem-6.8.1/lib/LINUX/libtce.a Making libraries in bq Making libraries in mm Compiling mm_input.F... Compiling mm_data.F... mm_bq_data.fh:6:25: common /mm_bq_data/ nbq, 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] mm_bq_data.fh:6:25: common /mm_bq_data/ nbq, 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] 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(4) [-Wargument-mismatch] Compiling mm_bond_coords.F... Compiling mm_link.F... mm_bq_data.fh:6:25: common /mm_bq_data/ nbq, 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] mm_bq_data.fh:6:25: common /mm_bq_data/ nbq, 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling mm_geom.F... Compiling mm_vdw_coords.F... Compiling mm_bq.F... mm_bq_data.fh:6:25: common /mm_bq_data/ nbq, 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] mm_bq_data.fh:6:25: common /mm_bq_data/ nbq, 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] mm_bq_data.fh:6:25: common /mm_bq_data/ nbq, 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] mm_bq_data.fh:6:25: common /mm_bq_data/ nbq, 1 Warning: Padding of 4 bytes required before 'e_bq' in COMMON 'mm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling mm_neb.F... Compiling mm_cons.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libmm.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libmm.a ranlib /build/nwchem-6.8.1/lib/LINUX/libmm.a Making libraries in cons Making libraries in perfm make[4]: '/build/nwchem-6.8.1/lib/LINUX/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/LINUX/libdntmc.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libdntmc.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libdangchang.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libdangchang.a ranlib /build/nwchem-6.8.1/lib/LINUX/libdangchang.a Making libraries in ccca Compiling task_ccca.F... Compiling ccca_utils.F... Got lock on /build/nwchem-6.8.1/lib/LINUX/libccca.lock ar rU /build/nwchem-6.8.1/lib/LINUX/libccca.a task_ccca.o ccca_utils.o ar: creating /build/nwchem-6.8.1/lib/LINUX/libccca.a ranlib /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libdimqm.lock ar rU /build/nwchem-6.8.1/lib/LINUX/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/LINUX/libdimqm.a ranlib /build/nwchem-6.8.1/lib/LINUX/libdimqm.a make nwchem.o stubs.o gfortran -g -O2 -ffast-math -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -I. -I/build/nwchem-6.8.1/src/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib -DLINUX -DGFORTRAN -DGCC46 -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 -g -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -I. -I/build/nwchem-6.8.1/src/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib -DLINUX -DGFORTRAN -DGCC46 -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 -g -O2 -ffast-math -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -L/build/nwchem-6.8.1/lib/LINUX -L/usr/lib -L/usr/lib/i386-linux-gnu/openmpi/lib -o /build/nwchem-6.8.1/bin/LINUX/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-i386-linux-gnu/libpython2.7.a -lscalapack-openmpi -lblas -llapack "-llapack" "-lblas" -L/usr/lib -L/usr/lib/i386-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 /usr/bin/ld: /usr/lib/python2.7/config-i386-linux-gnu/libpython2.7.a(posixmodule.o): in function `posix_tmpnam': (.text.unlikely+0x15da): warning: the use of `tmpnam_r' is dangerous, better use `mkstemp' /usr/bin/ld: /usr/lib/python2.7/config-i386-linux-gnu/libpython2.7.a(posixmodule.o): in function `posix_tempnam': (.text.unlikely+0x14b2): 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/LINUX/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 -g -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -I. -I/build/nwchem-6.8.1/src/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib -DLINUX -DGFORTRAN -DGCC46 -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 -g -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -I. -I/build/nwchem-6.8.1/src/include -I/usr/include -I/usr/lib/i386-linux-gnu/openmpi/include -I/usr/lib/i386-linux-gnu/openmpi/lib -DLINUX -DGFORTRAN -DGCC46 -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 -g -O2 -ffast-math -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -L/build/nwchem-6.8.1/lib/LINUX -L/usr/lib -L/usr/lib/i386-linux-gnu/openmpi/lib -o /build/nwchem-6.8.1/bin/LINUX/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-i386-linux-gnu/libpython2.7.a -lscalapack-openmpi -lblas -llapack "-llapack" "-lblas" -L/usr/lib -L/usr/lib/i386-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 /usr/bin/ld: /usr/lib/python2.7/config-i386-linux-gnu/libpython2.7.a(posixmodule.o): in function `posix_tmpnam': (.text.unlikely+0x15da): warning: the use of `tmpnam_r' is dangerous, better use `mkstemp' /usr/bin/ld: /usr/lib/python2.7/config-i386-linux-gnu/libpython2.7.a(posixmodule.o): in function `posix_tempnam': (.text.unlikely+0x14b2): warning: the use of `tempnam' is dangerous, better use `mkstemp' link is built 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/LINUX/nwchem) with 1 processors 1.6u 0.0s 0:02.10 83.8% (0t+0ds+0avg+59712max)k 0i+92512o 6pf 0swaps verifying output ... OK Running tests/autosym/autosym cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX/nwchem) with 1 processors 1.0u 0.2s 0:01.64 82.3% (0t+0ds+0avg+51914max)k 0i+241880o 6pf 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/LINUX/nwchem) with 1 processors 2.2u 0.3s 0:02.92 89.3% (0t+0ds+0avg+55040max)k 0i+370752o 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/LINUX/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/LINUX/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/LINUX/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/LINUX/nwchem) with 1 processors verifying output ... OK Running tests/geom_zmatrix/geom_zmatrix cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX/nwchem) with 1 processors 3.7u 0.1s 0:04.16 92.0% (0t+0ds+0avg+63822max)k 0i+148208o 6pf 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/LINUX/nwchem) with 1 processors 1.5u 0.1s 0:02.05 83.9% (0t+0ds+0avg+53324max)k 0i+116136o 6pf 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/LINUX/nwchem) with 1 processors 7.8u 0.1s 0:08.35 96.0% (0t+0ds+0avg+69294max)k 0i+84504o 6pf 0swaps verifying output ... OK Running tests/tagcheck/tagcheck cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX/nwchem) with 1 processors verifying output ... OK Running tests/testtab/testtab cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX/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/LINUX/nwchem) with 1 processors 1.7u 0.1s 0:02.24 85.2% (0t+0ds+0avg+48938max)k 0i+115104o 6pf 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/LINUX/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/LINUX/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/LINUX/nwchem) with 1 processors 3.3u 0.1s 0:03.86 91.7% (0t+0ds+0avg+49564max)k 0i+145152o 6pf 0swaps verifying output ... OK Running tests/pyqa/pyqa cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX/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/LINUX/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/LINUX/nwchem) with 1 processors 2.3u 0.1s 0:02.77 88.0% (0t+0ds+0avg+59686max)k 0i+52872o 6pf 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/LINUX/nwchem) with 1 processors 2.5u 0.1s 0:02.97 88.5% (0t+0ds+0avg+57920max)k 0i+53160o 6pf 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/LINUX/nwchem) with 1 processors 5.3u 0.1s 0:05.83 94.3% (0t+0ds+0avg+80172max)k 0i+148256o 6pf 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/LINUX/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/LINUX/nwchem) with 1 processors 9.6u 0.1s 0:12.14 81.1% (0t+0ds+0avg+94770max)k 0i+134632o 6pf 0swaps verifying output ... 4,91d3 < Atoms Coordinates: < c 0.0000 0.0000 0.0000 < h 1.1772 1.1772 1.1772 < h -1.1772 -1.1772 1.1772 < h -1.1772 1.1772 -1.1772 < h 1.1772 -1.1772 -1.1772 < Atoms Gradients: < c 0.0000 0.0000 0.0000 < h -0.0049 -0.0049 -0.0049 < h 0.0049 0.0049 -0.0049 < h 0.0049 -0.0049 0.0049 < h -0.0049 0.0049 0.0049 < Total DFT energy = -40.54027 < Effective nuclear repulsion energy (a.u.) 13.413 < Total DFT energy = -40.54027 < Atoms Coordinates: < c 0.0000 0.0000 0.0000 < h 1.1912 1.1912 1.1912 < h -1.1912 -1.1912 1.1912 < h -1.1912 1.1912 -1.1912 < h 1.1912 -1.1912 -1.1912 < Atoms Gradients: < c 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < Total DFT energy = -40.54027 < Effective nuclear repulsion energy (a.u.) 13.413 < Total DFT energy = -40.54027 < Atoms Coordinates: < c 0.0000 0.0000 0.0000 < h 1.1912 1.1912 1.1912 < h -1.1912 -1.1912 1.1912 < h -1.1912 1.1912 -1.1912 < h 1.1912 -1.1912 -1.1912 < Atoms Gradients: < c 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < Effective nuclear repulsion energy (a.u.) 13.413 < Effective nuclear repulsion energy (a.u.) 13.413 < Total DFT energy = -40.44591 < Atoms Coordinates: < c 0.0000 0.0000 0.0000 < h 1.1912 1.1912 1.1912 < h -1.1912 -1.1912 1.1912 < h -1.1912 1.1912 -1.1912 < h 1.1912 -1.1912 -1.1912 < Atoms Gradients: < c 0.0000 0.0000 0.0000 < h -0.0033 -0.0033 -0.0033 < h 0.0033 0.0033 -0.0033 < h 0.0033 -0.0033 0.0033 < h -0.0033 0.0033 0.0033 < Total DFT energy = -40.44610 < Effective nuclear repulsion energy (a.u.) 13.306 < Total DFT energy = -40.44610 < Atoms Coordinates: < c 0.0000 0.0000 0.0000 < h 1.2008 1.2008 1.2008 < h -1.2008 -1.2008 1.2008 < h -1.2008 1.2008 -1.2008 < h 1.2008 -1.2008 -1.2008 < Atoms Gradients: < c 0.0000 0.0000 0.0000 < h -0.0001 -0.0001 -0.0001 < h 0.0001 0.0001 -0.0001 < h 0.0001 -0.0001 0.0001 < h -0.0001 0.0001 0.0001 < Total DFT energy = -40.44610 < Effective nuclear repulsion energy (a.u.) 13.304 < Total DFT energy = -40.44610 < Atoms Coordinates: < c 0.0000 0.0000 0.0000 < h 1.2009 1.2009 1.2009 < h -1.2009 -1.2009 1.2009 < h -1.2009 1.2009 -1.2009 < h 1.2009 -1.2009 -1.2009 < Atoms Gradients: < c 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < h 0.0000 0.0000 0.0000 < Effective nuclear repulsion energy (a.u.) 13.304 failed t2 3.0 3.0 Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf6aa972d in ??? #1 0xf6aa884e in ??? #2 0xf7f7707f in ??? #3 0x569c0abb in eval_angular_ at /build/nwchem-6.8.1/src/nwdft/xc/xc_eval_basis.F:664 #4 0x569c2cf7 in xc_eval_basis_ at /build/nwchem-6.8.1/src/nwdft/xc/xc_eval_basis.F:245 #5 0x56ab7b8b in dftg_gridv0b_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dftg_gridv0b.F:235 #6 0x56ab73c0 in dftg_gridv0a_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dftg_gridv0a.F:294 #7 0x569eed6b in dftgh_gridv0_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dftg_gridv0.F:600 #8 0x569f032e in dftg_gridv0_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dftg_gridv0.F:32 #9 0x569ea47f in dftg_getxc_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dftg_getxc.F:82 #10 0x569ebe65 in dft_gradients_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dft_gradients.F:507 #11 0x568e2290 in grad_dft_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/grad_dft.F:171 #12 0x568e2748 in dft_energy_gradient_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/grad_dft.F:12 #13 0x5678ade8 in task_gradient_doit_ at /build/nwchem-6.8.1/src/task/task_gradient.F:360 #14 0x5678c30d in task_gradient_ at /build/nwchem-6.8.1/src/task/task_gradient.F:120 #15 0x56874e15 in driver_ at /build/nwchem-6.8.1/src/driver/opt_drv.F:76 #16 0x5678cc74 in task_optimize_ at /build/nwchem-6.8.1/src/task/task_optimize.F:146 #17 0x5677d012 in task_ at /build/nwchem-6.8.1/src/task/task.F:384 #18 0x56775857 in nwchem at /build/nwchem-6.8.1/src/nwchem.F:318 #19 0x566a744b in main at /build/nwchem-6.8.1/src/nwchem.F:402 -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun noticed that process rank 0 with PID 0 on node profitbricks-build6-i386 exited on signal 11 (Segmentation fault). -------------------------------------------------------------------------- Running tests/dft_mpwb1khf/dft_mpwb1khf cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX/nwchem) with 1 processors 1.6u 0.2s 0:02.25 85.7% (0t+0ds+0avg+58988max)k 0i+334728o 6pf 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/LINUX/nwchem) with 1 processors 7.0u 0.2s 0:07.62 95.6% (0t+0ds+0avg+60696max)k 0i+242000o 6pf 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/LINUX/nwchem) with 1 processors 10.4u 0.3s 0:11.07 97.3% (0t+0ds+0avg+47088max)k 0i+460160o 6pf 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/LINUX/nwchem) with 1 processors 1.0u 0.1s 0:01.54 77.9% (0t+0ds+0avg+55176max)k 0i+145896o 6pf 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/LINUX/nwchem) with 1 processors 1.5u 0.2s 0:02.13 84.5% (0t+0ds+0avg+51436max)k 0i+269976o 6pf 0swaps verifying output ... OK Running tests/band/band cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX/nwchem) with 1 processors 15.3u 0.0s 0:15.79 97.8% (0t+0ds+0avg+33598max)k 0i+44040o 6pf 0swaps verifying output ... OK Running tests/pspw/pspw cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX/nwchem) with 1 processors 34.3u 0.3s 0:34.95 99.1% (0t+0ds+0avg+57288max)k 0i+151656o 6pf 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/LINUX/nwchem) with 1 processors 32.4u 0.1s 0:32.99 99.0% (0t+0ds+0avg+38784max)k 0i+53680o 6pf 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/LINUX/nwchem) with 1 processors 27.7u 0.2s 0:28.23 98.9% (0t+0ds+0avg+35292max)k 0i+56760o 6pf 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/LINUX/nwchem) with 1 processors 2.6u 0.4s 0:03.47 90.7% (0t+0ds+0avg+53156max)k 0i+279056o 6pf 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/LINUX/nwchem) with 1 processors 73.2u 0.3s 1:13.94 99.5% (0t+0ds+0avg+89232max)k 0i+439488o 6pf 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/LINUX/nwchem) with 1 processors 29.0u 1.8s 0:31.27 98.7% (0t+0ds+0avg+55078max)k 0i+1867152o 6pf 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/LINUX/nwchem) with 1 processors 1.6u 0.2s 0:02.19 84.4% (0t+0ds+0avg+52522max)k 0i+81568o 6pf 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/LINUX/nwchem) with 1 processors 36.6u 0.1s 0:37.12 99.1% (0t+0ds+0avg+57948max)k 0i+84584o 6pf 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/LINUX/nwchem) with 1 processors 146.6u 4.8s 2:31.73 99.8% (0t+0ds+0avg+54610max)k 0i+273760o 6pf 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/LINUX/nwchem) with 1 processors 20.0u 0.4s 0:20.84 98.3% (0t+0ds+0avg+89634max)k 0i+81680o 6pf 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/LINUX/nwchem) with 1 processors 3.3u 0.1s 0:03.85 91.1% (0t+0ds+0avg+55968max)k 0i+81568o 6pf 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/LINUX/nwchem) with 1 processors 64.6u 5.6s 1:10.57 99.5% (0t+0ds+0avg+108522max)k 0i+81800o 6pf 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/LINUX/nwchem) with 1 processors verifying output ... 4,31d3 < Atoms Coordinates: < n 0.0000 0.0000 -1.0308 < n 0.0000 0.0000 1.0308 < Atoms Gradients: < n 0.0000 0.0000 0.0051 < n 0.0000 0.0000 -0.0051 < Total DFT energy = -109.56718 < Effective nuclear repulsion energy (a.u.) 23.732 < Total DFT energy = -109.56720 < Atoms Coordinates: < n 0.0000 0.0000 -1.0323 < n 0.0000 0.0000 1.0323 < Atoms Gradients: < n 0.0000 0.0000 0.0000 < n 0.0000 0.0000 0.0000 < Total DFT energy = -109.56720 < Effective nuclear repulsion energy (a.u.) 23.732 < Total DFT energy = -109.56720 < Atoms Coordinates: < n 0.0000 0.0000 -1.0323 < n 0.0000 0.0000 1.0323 < Atoms Gradients: < n 0.0000 0.0000 0.0000 < n 0.0000 0.0000 0.0000 < Effective nuclear repulsion energy (a.u.) 23.732 < Total SCF energy = -108.99305 < Total MP2 energy -109.38075 < Total SCS-MP2 energy -109.37339 failed wavefunction = closed shell Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0xf6a7a72d in ??? #1 0xf6a7984e in ??? #2 0xf7f4807f in ??? #3 0x569e3abb in eval_angular_ at /build/nwchem-6.8.1/src/nwdft/xc/xc_eval_basis.F:664 #4 0x569e5cf7 in xc_eval_basis_ at /build/nwchem-6.8.1/src/nwdft/xc/xc_eval_basis.F:245 #5 0x56adab8b in dftg_gridv0b_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dftg_gridv0b.F:235 #6 0x56ada3c0 in dftg_gridv0a_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dftg_gridv0a.F:294 #7 0x56a11d6b in dftgh_gridv0_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dftg_gridv0.F:600 #8 0x56a1332e in dftg_gridv0_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dftg_gridv0.F:32 #9 0x56a0d47f in dftg_getxc_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dftg_getxc.F:82 #10 0x56a0ee65 in dft_gradients_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/dft_gradients.F:507 #11 0x56905290 in grad_dft_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/grad_dft.F:171 #12 0x56905748 in dft_energy_gradient_ at /build/nwchem-6.8.1/src/nwdft/dftgrad/grad_dft.F:12 #13 0x567adde8 in task_gradient_doit_ at /build/nwchem-6.8.1/src/task/task_gradient.F:360 #14 0x567af30d in task_gradient_ at /build/nwchem-6.8.1/src/task/task_gradient.F:120 #15 0x56897e15 in driver_ at /build/nwchem-6.8.1/src/driver/opt_drv.F:76 #16 0x567afc74 in task_optimize_ at /build/nwchem-6.8.1/src/task/task_optimize.F:146 #17 0x567a0012 in task_ at /build/nwchem-6.8.1/src/task/task.F:384 #18 0x56798857 in nwchem at /build/nwchem-6.8.1/src/nwchem.F:318 #19 0x566ca44b in main at /build/nwchem-6.8.1/src/nwchem.F:402 -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun noticed that process rank 0 with PID 0 on node profitbricks-build6-i386 exited on signal 11 (Segmentation fault). -------------------------------------------------------------------------- Running tests/tddftgrad_n2_uks/tddftgrad_n2_uks cleaning scratch copying input and verified output files running nwchem (/build/nwchem-6.8.1/bin/LINUX/nwchem) with 1 processors 54.1u 0.1s 0:54.67 99.3% (0t+0ds+0avg+60368max)k 0i+56760o 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/LINUX/nwchem) with 1 processors 20.6u 0.1s 0:21.09 98.4% (0t+0ds+0avg+62202max)k 0i+62128o 6pf 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/LINUX/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/LINUX/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed Failed make[1]: [debian/rules:100: override_dh_auto_test] Error 1 (ignored) 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_usempi_ignore_tkr.so.40 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/nwchem/usr/bin/nwchem was not linked against libmpi_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) 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_i386.deb'. dpkg-deb: building package 'nwchem-dbgsym' in '../nwchem-dbgsym_6.8.1-5_i386.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_i386.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/51877 and its subdirectories I: Current time: Wed May 19 04:25:39 -12 2021 I: pbuilder-time-stamp: 1621441539