Diff of the two buildlogs: -- --- b1/build.log 2020-06-07 11:28:52.190902839 +0000 +++ b2/build.log 2020-06-07 13:31:39.886447961 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sat Jul 10 05:44:47 -12 2021 -I: pbuilder-time-stamp: 1625939087 +I: Current time: Mon Jun 8 01:28:55 +14 2020 +I: pbuilder-time-stamp: 1591529335 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/buster-reproducible-base.tgz] I: copying local configuration @@ -18,7 +18,7 @@ I: Extracting source gpgv: unknown type of key resource 'trustedkeys.kbx' gpgv: keyblock resource '/root/.gnupg/trustedkeys.kbx': General error -gpgv: Signature made Sun Oct 26 07:15:58 2014 -12 +gpgv: Signature made Mon Oct 27 09:15:58 2014 +14 gpgv: using RSA key DC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./molds_0.3.1-1.dsc @@ -31,138 +31,172 @@ dpkg-source: info: applying fix-ftbfs-with-GCC-4.9.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/45769/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/16849/tmp/hooks/D01_modify_environment starting +debug: Running on profitbricks-build2-i386. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +Removing 'diversion of /bin/sh to /bin/sh.distrib by dash' +Adding 'diversion of /bin/sh to /bin/sh.distrib by bash' +Removing 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by dash' +Adding 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by bash' +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/16849/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/16849/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='i386' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=18' - DISTRIBUTION='' - HOME='/root' - HOST_ARCH='i386' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="0" [2]="3" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.0.3(1)-release' + BUILDDIR=/build + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=10' + DIRSTACK=() + DISTRIBUTION= + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=i686 + HOST_ARCH=i386 IFS=' ' - INVOCATION_ID='46e91b4076104cdcb9a24f05af70145f' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - LD_LIBRARY_PATH='/usr/lib/libeatmydata' - LD_PRELOAD='libeatmydata.so' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='45769' - PS1='# ' - PS2='> ' + INVOCATION_ID=c27b1cb69911462d9dd080affee27266 + LANG=C + LANGUAGE=de_CH:de + LC_ALL=C + LD_LIBRARY_PATH=/usr/lib/libeatmydata + LD_PRELOAD=libeatmydata.so + MACHTYPE=i686-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=16849 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.6dLFUqQuEZ/pbuilderrc_UJ1O --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.6dLFUqQuEZ/b1 --logfile b1/build.log molds_0.3.1-1.dsc' - SUDO_GID='112' - SUDO_UID='107' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://85.184.249.68:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.6dLFUqQuEZ/pbuilderrc_7rZh --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.6dLFUqQuEZ/b2 --logfile b2/build.log molds_0.3.1-1.dsc' + SUDO_GID=112 + SUDO_UID=107 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://78.137.99.97:3128 I: uname -a - Linux profitbricks-build16-i386 4.19.0-9-amd64 #1 SMP Debian 4.19.118-2 (2020-04-29) x86_64 GNU/Linux + Linux i-capture-the-hostname 4.19.0-9-686-pae #1 SMP Debian 4.19.118-2 (2020-04-29) i686 GNU/Linux I: ls -l /bin total 5476 - -rwxr-xr-x 1 root root 1302248 Apr 17 2019 bash - -rwxr-xr-x 3 root root 38280 Jul 10 2019 bunzip2 - -rwxr-xr-x 3 root root 38280 Jul 10 2019 bzcat - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzcmp -> bzdiff - -rwxr-xr-x 1 root root 2227 Jul 10 2019 bzdiff - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzegrep -> bzgrep - -rwxr-xr-x 1 root root 4877 Jun 24 2019 bzexe - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzfgrep -> bzgrep - -rwxr-xr-x 1 root root 3641 Jul 10 2019 bzgrep - -rwxr-xr-x 3 root root 38280 Jul 10 2019 bzip2 - -rwxr-xr-x 1 root root 17768 Jul 10 2019 bzip2recover - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzless -> bzmore - -rwxr-xr-x 1 root root 1297 Jul 10 2019 bzmore - -rwxr-xr-x 1 root root 38692 Feb 28 2019 cat - -rwxr-xr-x 1 root root 75588 Feb 28 2019 chgrp - -rwxr-xr-x 1 root root 63268 Feb 28 2019 chmod - -rwxr-xr-x 1 root root 75588 Feb 28 2019 chown - -rwxr-xr-x 1 root root 153732 Feb 28 2019 cp - -rwxr-xr-x 1 root root 132820 Jan 17 2019 dash - -rwxr-xr-x 1 root root 120676 Feb 28 2019 date - -rwxr-xr-x 1 root root 92040 Feb 28 2019 dd - -rwxr-xr-x 1 root root 100620 Feb 28 2019 df - -rwxr-xr-x 1 root root 149736 Feb 28 2019 dir - -rwxr-xr-x 1 root root 79412 Jan 9 2019 dmesg - lrwxrwxrwx 1 root root 8 Sep 26 2018 dnsdomainname -> hostname - lrwxrwxrwx 1 root root 8 Sep 26 2018 domainname -> hostname - -rwxr-xr-x 1 root root 34532 Feb 28 2019 echo - -rwxr-xr-x 1 root root 28 Jan 7 2019 egrep - -rwxr-xr-x 1 root root 34532 Feb 28 2019 false - -rwxr-xr-x 1 root root 28 Jan 7 2019 fgrep - -rwxr-xr-x 1 root root 67700 Jan 9 2019 findmnt - -rwsr-xr-x 1 root root 30112 Apr 22 2020 fusermount - -rwxr-xr-x 1 root root 206392 Jan 7 2019 grep - -rwxr-xr-x 2 root root 2345 Jan 5 2019 gunzip - -rwxr-xr-x 1 root root 6375 Jan 5 2019 gzexe - -rwxr-xr-x 1 root root 100952 Jan 5 2019 gzip - -rwxr-xr-x 1 root root 21916 Sep 26 2018 hostname - -rwxr-xr-x 1 root root 79752 Feb 28 2019 ln - -rwxr-xr-x 1 root root 55400 Jul 26 2018 login - -rwxr-xr-x 1 root root 149736 Feb 28 2019 ls - -rwxr-xr-x 1 root root 112032 Jan 9 2019 lsblk - -rwxr-xr-x 1 root root 87972 Feb 28 2019 mkdir - -rwxr-xr-x 1 root root 79748 Feb 28 2019 mknod - -rwxr-xr-x 1 root root 46916 Feb 28 2019 mktemp - -rwxr-xr-x 1 root root 42348 Jan 9 2019 more - -rwsr-xr-x 1 root root 50592 Jan 9 2019 mount - -rwxr-xr-x 1 root root 13724 Jan 9 2019 mountpoint - -rwxr-xr-x 1 root root 157832 Feb 28 2019 mv - lrwxrwxrwx 1 root root 8 Sep 26 2018 nisdomainname -> hostname - lrwxrwxrwx 1 root root 14 Feb 14 2019 pidof -> /sbin/killall5 - -rwxr-xr-x 1 root root 38660 Feb 28 2019 pwd - lrwxrwxrwx 1 root root 4 Apr 17 2019 rbash -> bash - -rwxr-xr-x 1 root root 46852 Feb 28 2019 readlink - -rwxr-xr-x 1 root root 75588 Feb 28 2019 rm - -rwxr-xr-x 1 root root 42756 Feb 28 2019 rmdir - -rwxr-xr-x 1 root root 22276 Jan 21 2019 run-parts - -rwxr-xr-x 1 root root 125036 Dec 22 2018 sed - lrwxrwxrwx 1 root root 4 Jul 9 02:47 sh -> dash - -rwxr-xr-x 1 root root 34532 Feb 28 2019 sleep - -rwxr-xr-x 1 root root 79652 Feb 28 2019 stty - -rwsr-xr-x 1 root root 71072 Jan 9 2019 su - -rwxr-xr-x 1 root root 34564 Feb 28 2019 sync - -rwxr-xr-x 1 root root 504024 Apr 23 2019 tar - -rwxr-xr-x 1 root root 13860 Jan 21 2019 tempfile - -rwxr-xr-x 1 root root 104292 Feb 28 2019 touch - -rwxr-xr-x 1 root root 34532 Feb 28 2019 true - -rwxr-xr-x 1 root root 17768 Apr 22 2020 ulockmgr_server - -rwsr-xr-x 1 root root 30108 Jan 9 2019 umount - -rwxr-xr-x 1 root root 34532 Feb 28 2019 uname - -rwxr-xr-x 2 root root 2345 Jan 5 2019 uncompress - -rwxr-xr-x 1 root root 149736 Feb 28 2019 vdir - -rwxr-xr-x 1 root root 34208 Jan 9 2019 wdctl - -rwxr-xr-x 1 root root 946 Jan 21 2019 which - lrwxrwxrwx 1 root root 8 Sep 26 2018 ypdomainname -> hostname - -rwxr-xr-x 1 root root 1983 Jan 5 2019 zcat - -rwxr-xr-x 1 root root 1677 Jan 5 2019 zcmp - -rwxr-xr-x 1 root root 5879 Jan 5 2019 zdiff - -rwxr-xr-x 1 root root 29 Jan 5 2019 zegrep - -rwxr-xr-x 1 root root 29 Jan 5 2019 zfgrep - -rwxr-xr-x 1 root root 2080 Jan 5 2019 zforce - -rwxr-xr-x 1 root root 7584 Jan 5 2019 zgrep - -rwxr-xr-x 1 root root 2205 Jan 5 2019 zless - -rwxr-xr-x 1 root root 1841 Jan 5 2019 zmore - -rwxr-xr-x 1 root root 4552 Jan 5 2019 znew -I: user script /srv/workspace/pbuilder/45769/tmp/hooks/D02_print_environment finished + -rwxr-xr-x 1 root root 1302248 Apr 18 2019 bash + -rwxr-xr-x 3 root root 38280 Jul 11 2019 bunzip2 + -rwxr-xr-x 3 root root 38280 Jul 11 2019 bzcat + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzcmp -> bzdiff + -rwxr-xr-x 1 root root 2227 Jul 11 2019 bzdiff + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzegrep -> bzgrep + -rwxr-xr-x 1 root root 4877 Jun 25 2019 bzexe + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzfgrep -> bzgrep + -rwxr-xr-x 1 root root 3641 Jul 11 2019 bzgrep + -rwxr-xr-x 3 root root 38280 Jul 11 2019 bzip2 + -rwxr-xr-x 1 root root 17768 Jul 11 2019 bzip2recover + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzless -> bzmore + -rwxr-xr-x 1 root root 1297 Jul 11 2019 bzmore + -rwxr-xr-x 1 root root 38692 Mar 1 2019 cat + -rwxr-xr-x 1 root root 75588 Mar 1 2019 chgrp + -rwxr-xr-x 1 root root 63268 Mar 1 2019 chmod + -rwxr-xr-x 1 root root 75588 Mar 1 2019 chown + -rwxr-xr-x 1 root root 153732 Mar 1 2019 cp + -rwxr-xr-x 1 root root 132820 Jan 18 2019 dash + -rwxr-xr-x 1 root root 120676 Mar 1 2019 date + -rwxr-xr-x 1 root root 92040 Mar 1 2019 dd + -rwxr-xr-x 1 root root 100620 Mar 1 2019 df + -rwxr-xr-x 1 root root 149736 Mar 1 2019 dir + -rwxr-xr-x 1 root root 79412 Jan 10 2019 dmesg + lrwxrwxrwx 1 root root 8 Sep 27 2018 dnsdomainname -> hostname + lrwxrwxrwx 1 root root 8 Sep 27 2018 domainname -> hostname + -rwxr-xr-x 1 root root 34532 Mar 1 2019 echo + -rwxr-xr-x 1 root root 28 Jan 8 2019 egrep + -rwxr-xr-x 1 root root 34532 Mar 1 2019 false + -rwxr-xr-x 1 root root 28 Jan 8 2019 fgrep + -rwxr-xr-x 1 root root 67700 Jan 10 2019 findmnt + -rwsr-xr-x 1 root root 30112 Apr 23 09:38 fusermount + -rwxr-xr-x 1 root root 206392 Jan 8 2019 grep + -rwxr-xr-x 2 root root 2345 Jan 6 2019 gunzip + -rwxr-xr-x 1 root root 6375 Jan 6 2019 gzexe + -rwxr-xr-x 1 root root 100952 Jan 6 2019 gzip + -rwxr-xr-x 1 root root 21916 Sep 27 2018 hostname + -rwxr-xr-x 1 root root 79752 Mar 1 2019 ln + -rwxr-xr-x 1 root root 55400 Jul 27 2018 login + -rwxr-xr-x 1 root root 149736 Mar 1 2019 ls + -rwxr-xr-x 1 root root 112032 Jan 10 2019 lsblk + -rwxr-xr-x 1 root root 87972 Mar 1 2019 mkdir + -rwxr-xr-x 1 root root 79748 Mar 1 2019 mknod + -rwxr-xr-x 1 root root 46916 Mar 1 2019 mktemp + -rwxr-xr-x 1 root root 42348 Jan 10 2019 more + -rwsr-xr-x 1 root root 50592 Jan 10 2019 mount + -rwxr-xr-x 1 root root 13724 Jan 10 2019 mountpoint + -rwxr-xr-x 1 root root 157832 Mar 1 2019 mv + lrwxrwxrwx 1 root root 8 Sep 27 2018 nisdomainname -> hostname + lrwxrwxrwx 1 root root 14 Feb 15 2019 pidof -> /sbin/killall5 + -rwxr-xr-x 1 root root 38660 Mar 1 2019 pwd + lrwxrwxrwx 1 root root 4 Apr 18 2019 rbash -> bash + -rwxr-xr-x 1 root root 46852 Mar 1 2019 readlink + -rwxr-xr-x 1 root root 75588 Mar 1 2019 rm + -rwxr-xr-x 1 root root 42756 Mar 1 2019 rmdir + -rwxr-xr-x 1 root root 22276 Jan 22 2019 run-parts + -rwxr-xr-x 1 root root 125036 Dec 23 2018 sed + lrwxrwxrwx 1 root root 4 Jun 8 01:33 sh -> bash + lrwxrwxrwx 1 root root 4 Jun 7 23:23 sh.distrib -> dash + -rwxr-xr-x 1 root root 34532 Mar 1 2019 sleep + -rwxr-xr-x 1 root root 79652 Mar 1 2019 stty + -rwsr-xr-x 1 root root 71072 Jan 10 2019 su + -rwxr-xr-x 1 root root 34564 Mar 1 2019 sync + -rwxr-xr-x 1 root root 504024 Apr 24 2019 tar + -rwxr-xr-x 1 root root 13860 Jan 22 2019 tempfile + -rwxr-xr-x 1 root root 104292 Mar 1 2019 touch + -rwxr-xr-x 1 root root 34532 Mar 1 2019 true + -rwxr-xr-x 1 root root 17768 Apr 23 09:38 ulockmgr_server + -rwsr-xr-x 1 root root 30108 Jan 10 2019 umount + -rwxr-xr-x 1 root root 34532 Mar 1 2019 uname + -rwxr-xr-x 2 root root 2345 Jan 6 2019 uncompress + -rwxr-xr-x 1 root root 149736 Mar 1 2019 vdir + -rwxr-xr-x 1 root root 34208 Jan 10 2019 wdctl + -rwxr-xr-x 1 root root 946 Jan 22 2019 which + lrwxrwxrwx 1 root root 8 Sep 27 2018 ypdomainname -> hostname + -rwxr-xr-x 1 root root 1983 Jan 6 2019 zcat + -rwxr-xr-x 1 root root 1677 Jan 6 2019 zcmp + -rwxr-xr-x 1 root root 5879 Jan 6 2019 zdiff + -rwxr-xr-x 1 root root 29 Jan 6 2019 zegrep + -rwxr-xr-x 1 root root 29 Jan 6 2019 zfgrep + -rwxr-xr-x 1 root root 2080 Jan 6 2019 zforce + -rwxr-xr-x 1 root root 7584 Jan 6 2019 zgrep + -rwxr-xr-x 1 root root 2205 Jan 6 2019 zless + -rwxr-xr-x 1 root root 1841 Jan 6 2019 zmore + -rwxr-xr-x 1 root root 4552 Jan 6 2019 znew +I: user script /srv/workspace/pbuilder/16849/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -334,7 +368,7 @@ Get: 112 http://deb.debian.org/debian buster/main i386 libyaml-0-2 i386 0.2.1-1 [49.7 kB] Get: 113 http://deb.debian.org/debian buster/main i386 libruby2.5 i386 2.5.5-3+deb10u1 [3546 kB] Get: 114 http://deb.debian.org/debian buster/main i386 mpi-default-bin i386 1.13 [4672 B] -Fetched 57.4 MB in 1s (43.2 MB/s) +Fetched 57.4 MB in 15s (3848 kB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libbsd0:i386. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19234 files and directories currently installed.) @@ -829,7 +863,7 @@ 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/molds-0.3.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b +I: Running cd /build/molds-0.3.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b dpkg-buildpackage: info: source package molds dpkg-buildpackage: info: source version 0.3.1-1 dpkg-buildpackage: info: source distribution unstable @@ -2070,11 +2104,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < FNC1_principal.in > temp.dat -------------------------------------------------------------------------- -[[8676,1],0]: A high-performance Open MPI point-to-point messaging module +[[39532,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2097,11 +2131,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < FNC1_rot120.in > temp.dat -------------------------------------------------------------------------- -[[8206,1],0]: A high-performance Open MPI point-to-point messaging module +[[38235,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2124,11 +2158,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < FNC1_translate.in > temp.dat -------------------------------------------------------------------------- -[[8216,1],0]: A high-performance Open MPI point-to-point messaging module +[[38185,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2151,11 +2185,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8226,1],0]: A high-performance Open MPI point-to-point messaging module +[[38324,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2172,11 +2206,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8287,1],0]: A high-performance Open MPI point-to-point messaging module +[[37989,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2193,11 +2227,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8316,1],0]: A high-performance Open MPI point-to-point messaging module +[[37927,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2205,8 +2239,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:50547] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:50547] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:06518] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:06518] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_cndo2.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2218,11 +2252,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8358,1],0]: A high-performance Open MPI point-to-point messaging module +[[38689,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2239,11 +2273,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8387,1],0]: A high-performance Open MPI point-to-point messaging module +[[38613,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2260,11 +2294,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8416,1],0]: A high-performance Open MPI point-to-point messaging module +[[37247,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2272,8 +2306,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:50671] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:50671] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:07214] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:07214] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_cndo2.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2285,11 +2319,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < h2s_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[9002,1],0]: A high-performance Open MPI point-to-point messaging module +[[37877,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2306,11 +2340,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < h2s_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[9031,1],0]: A high-performance Open MPI point-to-point messaging module +[[44796,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2327,11 +2361,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds h2s_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[9060,1],0]: A high-performance Open MPI point-to-point messaging module +[[43332,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2339,8 +2373,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:50795] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:50795] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:09237] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:09237] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff h2s_cndo2.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2356,11 +2390,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_indo.in > temp.dat -------------------------------------------------------------------------- -[[9134,1],0]: A high-performance Open MPI point-to-point messaging module +[[43450,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2377,11 +2411,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_indo.in > temp.dat -------------------------------------------------------------------------- -[[9163,1],0]: A high-performance Open MPI point-to-point messaging module +[[43157,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2398,11 +2432,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_indo.in > temp.dat -------------------------------------------------------------------------- -[[9192,1],0]: A high-performance Open MPI point-to-point messaging module +[[43803,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2410,8 +2444,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:50919] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:50919] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:09802] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:09802] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_indo.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2423,11 +2457,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_indo.in > temp.dat -------------------------------------------------------------------------- -[[8722,1],0]: A high-performance Open MPI point-to-point messaging module +[[43942,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2444,11 +2478,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_indo.in > temp.dat -------------------------------------------------------------------------- -[[8783,1],0]: A high-performance Open MPI point-to-point messaging module +[[43667,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2465,11 +2499,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_indo.in > temp.dat -------------------------------------------------------------------------- -[[8812,1],0]: A high-performance Open MPI point-to-point messaging module +[[42480,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2477,8 +2511,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:51043] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:51043] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:10401] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:10401] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_indo.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2495,11 +2529,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[8854,1],0]: A high-performance Open MPI point-to-point messaging module +[[42085,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2518,11 +2552,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[8882,1],0]: A high-performance Open MPI point-to-point messaging module +[[42190,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2541,11 +2575,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[8942,1],0]: A high-performance Open MPI point-to-point messaging module +[[42871,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2553,8 +2587,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:51169] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:51169] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:10790] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:10790] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_zindos_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: 3.552714e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.030099e-15 -2.389595e-06 2.389595e-01 2.389595e-01 > Core Dipole moment: 3.663736e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.312290e-15 -2.389595e-06 2.389595e-01 2.389595e-01 @@ -2568,11 +2602,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11542,1],0]: A high-performance Open MPI point-to-point messaging module +[[42534,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2589,11 +2623,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11570,1],0]: A high-performance Open MPI point-to-point messaging module +[[42639,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2610,11 +2644,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11630,1],0]: A high-performance Open MPI point-to-point messaging module +[[41388,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2622,8 +2656,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:51297] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:51297] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:11517] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:11517] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_zindos_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2635,11 +2669,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < h2s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11670,1],0]: A high-performance Open MPI point-to-point messaging module +[[41132,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2656,11 +2690,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < h2s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11698,1],0]: A high-performance Open MPI point-to-point messaging module +[[41773,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2677,11 +2711,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds h2s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11758,1],1]: A high-performance Open MPI point-to-point messaging module +[[41908,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2689,8 +2723,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:51425] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:51425] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:12005] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:12005] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff h2s_zindos_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2702,11 +2736,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < h2o_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11286,1],0]: A high-performance Open MPI point-to-point messaging module +[[41665,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2723,11 +2757,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < h2o_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11315,1],0]: A high-performance Open MPI point-to-point messaging module +[[48415,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2744,11 +2778,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds h2o_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11344,1],0]: A high-performance Open MPI point-to-point messaging module +[[48289,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2756,8 +2790,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:51551] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:51551] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:12784] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:12784] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff h2o_zindos_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2769,11 +2803,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c4h4s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11418,1],0]: A high-performance Open MPI point-to-point messaging module +[[49025,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2790,11 +2824,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c4h4s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11443,1],0]: A high-performance Open MPI point-to-point messaging module +[[48885,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2811,11 +2845,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c4h4s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11499,1],0]: A high-performance Open MPI point-to-point messaging module +[[47411,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2823,8 +2857,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:51684] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:51684] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:13410] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:13410] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c4h4s_zindos_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2841,11 +2875,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12077,1],0]: A high-performance Open MPI point-to-point messaging module +[[47138,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2864,11 +2898,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12105,1],0]: A high-performance Open MPI point-to-point messaging module +[[47988,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2887,11 +2921,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12133,1],1]: A high-performance Open MPI point-to-point messaging module +[[47856,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2899,8 +2933,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:51818] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:51818] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:14241] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:14241] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_zindos_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: 3.552714e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.030099e-15 -2.389595e-06 2.389595e-01 2.389595e-01 > Core Dipole moment: 3.663736e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.312290e-15 -2.389595e-06 2.389595e-01 2.389595e-01 @@ -2914,11 +2948,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12204,1],0]: A high-performance Open MPI point-to-point messaging module +[[46368,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2935,11 +2969,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12232,1],0]: A high-performance Open MPI point-to-point messaging module +[[46227,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2955,12 +2989,13 @@ MKL_NUM_THREADS:4 OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_zindos_davidsonCIS_singlet.in > temp.dat +[i-capture-the-hostname:15201] PMIX ERROR: UNREACHABLE in file ../../../../../../src/mca/ptl/tcp/ptl_tcp_component.c at line 1630 -------------------------------------------------------------------------- -[[12260,1],0]: A high-performance Open MPI point-to-point messaging module +[[46640,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2968,8 +3003,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:51947] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:51947] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:15201] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:15201] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_zindos_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2980,7 +3015,19 @@ MKL_NUM_THREADS:1 OMP_NUM_THREADS:1 command: ../src/molds < h2s_zindos_davidsonCIS_singlet.in > temp.dat -[profitbricks-build16-i386:52003] [[11820,0],0] ORTE_ERROR_LOG: Data unpack would read past end of buffer in file util/show_help.c at line 507 +-------------------------------------------------------------------------- +[[45408,1],0]: A high-performance Open MPI point-to-point messaging module +was unable to find any relevant network interfaces: + +Module: OpenFabrics (openib) + Host: i-capture-the-hostname + +Another transport will be used instead, although this may result in +lower performance. + +NOTE: You can disable this warning by setting the MCA parameter +btl_base_warn_component_unused to 0. +-------------------------------------------------------------------------- command: diff h2s_zindos_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2990,11 +3037,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < h2s_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11848,1],0]: A high-performance Open MPI point-to-point messaging module +[[45094,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3011,11 +3058,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds h2s_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[11876,1],1]: A high-performance Open MPI point-to-point messaging module +[[45218,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3023,8 +3070,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:52075] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:52075] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:15859] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:15859] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff h2s_zindos_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3040,11 +3087,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_zindos_force.in > temp.dat -------------------------------------------------------------------------- -[[11948,1],0]: A high-performance Open MPI point-to-point messaging module +[[46065,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3061,11 +3108,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_zindos_force.in > temp.dat -------------------------------------------------------------------------- -[[12030,1],0]: A high-performance Open MPI point-to-point messaging module +[[45574,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3082,11 +3129,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_zindos_force.in > temp.dat -------------------------------------------------------------------------- -[[10575,1],1]: A high-performance Open MPI point-to-point messaging module +[[52481,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3094,8 +3141,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:52288] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:52288] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:16464] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:16464] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_zindos_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3112,11 +3159,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_zindos_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[10691,1],0]: A high-performance Open MPI point-to-point messaging module +[[52365,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3135,11 +3182,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_zindos_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[10275,1],0]: A high-performance Open MPI point-to-point messaging module +[[50197,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3158,11 +3205,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_zindos_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[10371,1],1]: A high-performance Open MPI point-to-point messaging module +[[49886,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3170,8 +3217,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:52620] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:52620] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:20367] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:20367] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_zindos_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Total dipole moment: 32 1.920828e-01 -3.846657e-02 -6.746100e-03 1.960128e-01 4.882259e-01 -9.777228e-02 -1.714688e-02 4.982148e-01 > Total dipole moment: 32 1.920828e-01 -3.846657e-02 -6.746100e-03 1.960128e-01 4.882260e-01 -9.777228e-02 -1.714688e-02 4.982148e-01 @@ -3189,11 +3236,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_mndo.in > temp.dat -------------------------------------------------------------------------- -[[11059,1],0]: A high-performance Open MPI point-to-point messaging module +[[54642,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3210,11 +3257,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_mndo.in > temp.dat -------------------------------------------------------------------------- -[[11117,1],0]: A high-performance Open MPI point-to-point messaging module +[[54305,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3231,11 +3278,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_mndo.in > temp.dat -------------------------------------------------------------------------- -[[11143,1],1]: A high-performance Open MPI point-to-point messaging module +[[55111,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3243,8 +3290,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:52872] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:52872] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:23062] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:23062] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_mndo.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3256,11 +3303,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo.in > temp.dat -------------------------------------------------------------------------- -[[11211,1],0]: A high-performance Open MPI point-to-point messaging module +[[54800,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3277,11 +3324,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo.in > temp.dat -------------------------------------------------------------------------- -[[11237,1],0]: A high-performance Open MPI point-to-point messaging module +[[54970,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3298,11 +3345,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo.in > temp.dat -------------------------------------------------------------------------- -[[10783,1],1]: A high-performance Open MPI point-to-point messaging module +[[53663,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3310,8 +3357,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:53008] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:53008] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:23758] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:23758] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3328,11 +3375,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[10819,1],0]: A high-performance Open MPI point-to-point messaging module +[[53352,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3351,11 +3398,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[10877,1],0]: A high-performance Open MPI point-to-point messaging module +[[53376,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3373,12 +3420,13 @@ MKL_NUM_THREADS:4 OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_mndo_directCIS_singlet.in > temp.dat +[i-capture-the-hostname:24103] PMIX ERROR: UNREACHABLE in file ../../../../../../src/mca/ptl/tcp/ptl_tcp_component.c at line 1630 -------------------------------------------------------------------------- -[[10903,1],0]: A high-performance Open MPI point-to-point messaging module +[[54134,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3386,8 +3434,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:53144] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:53144] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:24103] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:24103] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_mndo_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: 3.552714e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.030099e-15 -2.389595e-06 2.389595e-01 2.389595e-01 > Core Dipole moment: 3.663736e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.312290e-15 -2.389595e-06 2.389595e-01 2.389595e-01 @@ -3401,11 +3449,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[10971,1],0]: A high-performance Open MPI point-to-point messaging module +[[54179,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3422,11 +3470,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[10997,1],0]: A high-performance Open MPI point-to-point messaging module +[[53787,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3443,11 +3491,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13615,1],0]: A high-performance Open MPI point-to-point messaging module +[[53891,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3455,8 +3503,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:53280] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:53280] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:24530] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:24530] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3473,11 +3521,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13651,1],0]: A high-performance Open MPI point-to-point messaging module +[[60693,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3496,11 +3544,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13709,1],0]: A high-performance Open MPI point-to-point messaging module +[[60454,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3519,11 +3567,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13734,1],0]: A high-performance Open MPI point-to-point messaging module +[[61150,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3531,8 +3579,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:53417] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:53417] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:25487] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:25487] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_mndo_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: 3.552714e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.030099e-15 -2.389595e-06 2.389595e-01 2.389595e-01 > Core Dipole moment: 3.663736e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.312290e-15 -2.389595e-06 2.389595e-01 2.389595e-01 @@ -3546,11 +3594,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13802,1],0]: A high-performance Open MPI point-to-point messaging module +[[59673,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3567,11 +3615,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13316,1],0]: A high-performance Open MPI point-to-point messaging module +[[59894,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3587,12 +3635,13 @@ MKL_NUM_THREADS:4 OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo_davidsonCIS_singlet.in > temp.dat +[i-capture-the-hostname:25837] PMIX ERROR: UNREACHABLE in file ../../../../../../src/mca/ptl/tcp/ptl_tcp_component.c at line 1630 -------------------------------------------------------------------------- -[[13374,1],0]: A high-performance Open MPI point-to-point messaging module +[[59836,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3600,8 +3649,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:53553] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:53553] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:25837] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:25837] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3617,11 +3666,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_force.in > temp.dat -------------------------------------------------------------------------- -[[13410,1],0]: A high-performance Open MPI point-to-point messaging module +[[59452,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3631,9 +3680,9 @@ -------------------------------------------------------------------------- command: diff c2h6_mndo_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.074803e-10 8.367031e-09 -> Error: 3.074589e-10 8.366451e-09 +> Error: 3.074732e-10 8.366837e-09 < Error: 1.227439e-09 3.340060e-08 -> Error: 1.227400e-09 3.339953e-08 +> Error: 1.227408e-09 3.339973e-08 < Error: 2.730806e-09 7.430960e-08 > Error: 2.730809e-09 7.430970e-08 < Error: 4.810836e-09 1.309106e-07 @@ -3648,11 +3697,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_force.in > temp.dat -------------------------------------------------------------------------- -[[13495,1],0]: A high-performance Open MPI point-to-point messaging module +[[59578,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3666,7 +3715,7 @@ < Error: 1.227439e-09 3.340060e-08 > Error: 1.227408e-09 3.339973e-08 < Error: 2.730806e-09 7.430960e-08 -> Error: 2.730809e-09 7.430970e-08 +> Error: 2.730816e-09 7.430989e-08 < Error: 4.810836e-09 1.309106e-07 > Error: 4.810826e-09 1.309103e-07 < Error: 7.500400e-09 2.040979e-07 @@ -3679,11 +3728,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo_force.in > temp.dat -------------------------------------------------------------------------- -[[14092,1],0]: A high-performance Open MPI point-to-point messaging module +[[60400,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3691,19 +3740,19 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:53763] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:53763] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:26273] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:26273] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.074803e-10 8.367031e-09 -> Error: 3.074661e-10 8.366644e-09 +> Error: 3.074732e-10 8.366837e-09 < Error: 1.227439e-09 3.340060e-08 > Error: 1.227408e-09 3.339973e-08 < Error: 2.730806e-09 7.430960e-08 > Error: 2.730809e-09 7.430970e-08 < Error: 4.810836e-09 1.309106e-07 -> Error: 4.810826e-09 1.309103e-07 +> Error: 4.810822e-09 1.309102e-07 < Error: 7.500400e-09 2.040979e-07 -> Error: 7.500372e-09 2.040971e-07 +> Error: 7.500365e-09 2.040969e-07 @@ -3719,11 +3768,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[14214,1],0]: A high-performance Open MPI point-to-point messaging module +[[58820,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3732,6 +3781,8 @@ btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- command: diff c2h6_mndo_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] +< Error: 2.668210e-07 7.260626e-06 +> Error: 2.668210e-07 7.260627e-06 < Error: 2.198940e-07 5.983667e-06 > Error: 2.198940e-07 5.983668e-06 @@ -3742,11 +3793,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[14315,1],0]: A high-performance Open MPI point-to-point messaging module +[[58519,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3755,8 +3806,6 @@ btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- command: diff c2h6_mndo_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] -< Error: 2.668210e-07 7.260626e-06 -> Error: 2.668210e-07 7.260627e-06 < Error: 2.198940e-07 5.983667e-06 > Error: 2.198940e-07 5.983668e-06 @@ -3767,11 +3816,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[13872,1],0]: A high-performance Open MPI point-to-point messaging module +[[59149,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3779,8 +3828,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:54079] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:54079] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:27228] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:27228] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.668210e-07 7.260626e-06 > Error: 2.668210e-07 7.260627e-06 @@ -3801,11 +3850,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[14058,1],0]: A high-performance Open MPI point-to-point messaging module +[[58919,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3814,10 +3863,10 @@ btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- command: diff c2h6_mndo_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] -< Error: 2.668212e-07 7.260631e-06 -> Error: 2.668211e-07 7.260631e-06 < Error: 2.675371e-07 7.280113e-06 > Error: 2.675371e-07 7.280112e-06 +< Error: 2.198960e-07 5.983723e-06 +> Error: 2.198960e-07 5.983724e-06 < Error: 2.892472e-07 7.870879e-06 > Error: 2.892472e-07 7.870880e-06 @@ -3828,11 +3877,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[12623,1],0]: A high-performance Open MPI point-to-point messaging module +[[57621,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3841,12 +3890,6 @@ btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- command: diff c2h6_mndo_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] -< Error: 2.668212e-07 7.260631e-06 -> Error: 2.668212e-07 7.260632e-06 -< Error: 2.675371e-07 7.280113e-06 -> Error: 2.675371e-07 7.280112e-06 -< Error: 2.198960e-07 5.983723e-06 -> Error: 2.198960e-07 5.983724e-06 < Error: 2.892472e-07 7.870879e-06 > Error: 2.892472e-07 7.870880e-06 @@ -3857,11 +3900,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[12692,1],0]: A high-performance Open MPI point-to-point messaging module +[[57384,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3869,11 +3912,9 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:54427] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:54427] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:28025] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:28025] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] -< Error: 2.668212e-07 7.260631e-06 -> Error: 2.668212e-07 7.260632e-06 < Error: 2.675371e-07 7.280113e-06 > Error: 2.675371e-07 7.280112e-06 < Error: 2.198960e-07 5.983723e-06 @@ -3894,11 +3935,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_am1.in > temp.dat -------------------------------------------------------------------------- -[[12366,1],0]: A high-performance Open MPI point-to-point messaging module +[[58278,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3915,11 +3956,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_am1.in > temp.dat -------------------------------------------------------------------------- -[[12392,1],0]: A high-performance Open MPI point-to-point messaging module +[[58017,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3936,11 +3977,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_am1.in > temp.dat -------------------------------------------------------------------------- -[[12418,1],0]: A high-performance Open MPI point-to-point messaging module +[[64776,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3948,8 +3989,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:54669] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:54669] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:28761] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:28761] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_am1.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3961,11 +4002,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1.in > temp.dat -------------------------------------------------------------------------- -[[12486,1],0]: A high-performance Open MPI point-to-point messaging module +[[64708,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3982,11 +4023,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1.in > temp.dat -------------------------------------------------------------------------- -[[12512,1],0]: A high-performance Open MPI point-to-point messaging module +[[65140,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4003,11 +4044,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1.in > temp.dat -------------------------------------------------------------------------- -[[13082,1],1]: A high-performance Open MPI point-to-point messaging module +[[65253,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4015,8 +4056,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:54805] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:54805] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:29620] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:29620] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4033,11 +4074,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13150,1],0]: A high-performance Open MPI point-to-point messaging module +[[63972,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4056,11 +4097,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13176,1],0]: A high-performance Open MPI point-to-point messaging module +[[63665,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4079,11 +4120,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13202,1],0]: A high-performance Open MPI point-to-point messaging module +[[64494,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4091,8 +4132,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:54941] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:54941] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:30399] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:30399] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_am1_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: 3.552714e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.030099e-15 -2.389595e-06 2.389595e-01 2.389595e-01 > Core Dipole moment: 3.663736e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.312290e-15 -2.389595e-06 2.389595e-01 2.389595e-01 @@ -4107,11 +4148,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13270,1],0]: A high-performance Open MPI point-to-point messaging module +[[62919,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4130,11 +4171,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13296,1],0]: A high-performance Open MPI point-to-point messaging module +[[62644,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4153,11 +4194,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12842,1],1]: A high-performance Open MPI point-to-point messaging module +[[63237,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4165,8 +4206,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:55077] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:55077] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:31316] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:31316] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Total dipole moment: 37 7.230934e-03 -5.931059e-02 -1.894117e-02 6.268014e-02 1.837921e-02 -1.507525e-01 -4.814367e-02 1.593171e-01 > Total dipole moment: 37 7.230935e-03 -5.931059e-02 -1.894117e-02 6.268014e-02 1.837921e-02 -1.507525e-01 -4.814367e-02 1.593171e-01 @@ -4185,11 +4226,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12910,1],0]: A high-performance Open MPI point-to-point messaging module +[[63457,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4208,11 +4249,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12936,1],0]: A high-performance Open MPI point-to-point messaging module +[[63395,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4231,11 +4272,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12962,1],0]: A high-performance Open MPI point-to-point messaging module +[[62982,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4243,8 +4284,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:55213] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:55213] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:31575] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:31575] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_am1_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: 3.552714e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.030099e-15 -2.389595e-06 2.389595e-01 2.389595e-01 > Core Dipole moment: 3.663736e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.312290e-15 -2.389595e-06 2.389595e-01 2.389595e-01 @@ -4258,11 +4299,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13030,1],0]: A high-performance Open MPI point-to-point messaging module +[[61799,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4279,11 +4320,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[15616,1],0]: A high-performance Open MPI point-to-point messaging module +[[62297,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4300,11 +4341,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[15674,1],0]: A high-performance Open MPI point-to-point messaging module +[[62431,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4312,8 +4353,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:55349] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:55349] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:32398] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:32398] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4329,11 +4370,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1_force.in > temp.dat -------------------------------------------------------------------------- -[[15742,1],0]: A high-performance Open MPI point-to-point messaging module +[[36531,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4345,13 +4386,13 @@ < Error: 3.502461e-10 9.530756e-09 > Error: 3.533760e-10 9.615927e-09 < Error: 1.411196e-09 3.840092e-08 -> Error: 1.407662e-09 3.830473e-08 +> Error: 1.407654e-09 3.830453e-08 < Error: 3.134435e-09 8.529300e-08 -> Error: 3.134051e-09 8.528256e-08 +> Error: 3.134044e-09 8.528236e-08 < Error: 5.520974e-09 1.502345e-07 -> Error: 5.521098e-09 1.502379e-07 +> Error: 5.521091e-09 1.502377e-07 < Error: 8.608080e-09 2.342396e-07 -> Error: 8.609945e-09 2.342904e-07 +> Error: 8.609938e-09 2.342902e-07 @@ -4360,11 +4401,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1_force.in > temp.dat -------------------------------------------------------------------------- -[[15795,1],0]: A high-performance Open MPI point-to-point messaging module +[[34844,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4374,15 +4415,15 @@ -------------------------------------------------------------------------- command: diff c2h6_am1_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.502461e-10 9.530756e-09 -> Error: 3.533831e-10 9.616120e-09 +> Error: 3.533760e-10 9.615927e-09 < Error: 1.411196e-09 3.840092e-08 -> Error: 1.407669e-09 3.830492e-08 +> Error: 1.407654e-09 3.830453e-08 < Error: 3.134435e-09 8.529300e-08 -> Error: 3.134051e-09 8.528256e-08 +> Error: 3.134044e-09 8.528236e-08 < Error: 5.520974e-09 1.502345e-07 -> Error: 5.521098e-09 1.502379e-07 +> Error: 5.521091e-09 1.502377e-07 < Error: 8.608080e-09 2.342396e-07 -> Error: 8.609945e-09 2.342904e-07 +> Error: 8.609938e-09 2.342902e-07 @@ -4391,11 +4432,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1_force.in > temp.dat -------------------------------------------------------------------------- -[[15368,1],0]: A high-performance Open MPI point-to-point messaging module +[[35715,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4403,19 +4444,19 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:55559] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:55559] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:01746] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:01746] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.502461e-10 9.530756e-09 -> Error: 3.533831e-10 9.616120e-09 +> Error: 3.533760e-10 9.615927e-09 < Error: 1.411196e-09 3.840092e-08 -> Error: 1.407669e-09 3.830492e-08 +> Error: 1.407654e-09 3.830453e-08 < Error: 3.134435e-09 8.529300e-08 -> Error: 3.134051e-09 8.528256e-08 +> Error: 3.134044e-09 8.528236e-08 < Error: 5.520974e-09 1.502345e-07 -> Error: 5.521098e-09 1.502379e-07 +> Error: 5.521091e-09 1.502377e-07 < Error: 8.608080e-09 2.342396e-07 -> Error: 8.609945e-09 2.342904e-07 +> Error: 8.609938e-09 2.342902e-07 @@ -4431,11 +4472,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[15490,1],0]: A high-performance Open MPI point-to-point messaging module +[[34184,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4453,7 +4494,7 @@ < Transition dipole moment: 0 -> 10 2.001950e-04 -6.870956e-02 3.453658e-03 6.879659e-02 5.088450e-04 -1.746423e-01 8.778326e-03 1.748635e-01 > Transition dipole moment: 0 -> 10 2.001949e-04 -6.870956e-02 3.453658e-03 6.879659e-02 5.088449e-04 -1.746423e-01 8.778326e-03 1.748635e-01 < Error: 2.946238e-07 8.017187e-06 -> Error: 2.946249e-07 8.017214e-06 +> Error: 2.946248e-07 8.017214e-06 < Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204092e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060497e-06 1.696044e-01 > Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204093e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060499e-06 1.696044e-01 < Electronic dipole moment: 8 7.464424e-04 -3.185396e-02 2.409892e-02 3.994984e-02 1.897268e-03 -8.096470e-02 6.125335e-02 1.015424e-01 @@ -4461,7 +4502,7 @@ < Transition dipole moment: 0 -> 10 2.335316e-04 -6.851517e-02 3.417653e-03 6.860075e-02 5.935782e-04 -1.741482e-01 8.686809e-03 1.743658e-01 > Transition dipole moment: 0 -> 10 2.335315e-04 -6.851517e-02 3.417653e-03 6.860075e-02 5.935781e-04 -1.741482e-01 8.686809e-03 1.743658e-01 < Error: 2.292038e-07 6.237002e-06 -> Error: 2.292049e-07 6.237034e-06 +> Error: 2.292049e-07 6.237033e-06 < Total dipole moment: 35 3.930855e-05 1.932643e-02 -1.337968e-02 2.350592e-02 9.991238e-05 4.912290e-02 -3.400776e-02 5.974610e-02 > Total dipole moment: 35 3.930854e-05 1.932643e-02 -1.337968e-02 2.350592e-02 9.991237e-05 4.912290e-02 -3.400776e-02 5.974610e-02 < Transition dipole moment: 0 -> 10 2.810612e-04 -6.824413e-02 3.367232e-03 6.832773e-02 7.143865e-04 -1.734593e-01 8.558652e-03 1.736718e-01 @@ -4469,7 +4510,7 @@ < Error: 3.309167e-07 9.004774e-06 > Error: 3.309180e-07 9.004810e-06 < Error: 3.183561e-07 8.662979e-06 -> Error: 3.183563e-07 8.662985e-06 +> Error: 3.183563e-07 8.662984e-06 @@ -4478,11 +4519,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[15591,1],0]: A high-performance Open MPI point-to-point messaging module +[[33959,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4500,7 +4541,7 @@ < Transition dipole moment: 0 -> 10 2.001950e-04 -6.870956e-02 3.453658e-03 6.879659e-02 5.088450e-04 -1.746423e-01 8.778326e-03 1.748635e-01 > Transition dipole moment: 0 -> 10 2.001949e-04 -6.870956e-02 3.453658e-03 6.879659e-02 5.088449e-04 -1.746423e-01 8.778326e-03 1.748635e-01 < Error: 2.946238e-07 8.017187e-06 -> Error: 2.946249e-07 8.017214e-06 +> Error: 2.946248e-07 8.017214e-06 < Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204092e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060497e-06 1.696044e-01 > Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204093e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060499e-06 1.696044e-01 < Electronic dipole moment: 8 7.464424e-04 -3.185396e-02 2.409892e-02 3.994984e-02 1.897268e-03 -8.096470e-02 6.125335e-02 1.015424e-01 @@ -4525,11 +4566,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[16204,1],0]: A high-performance Open MPI point-to-point messaging module +[[34610,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4537,8 +4578,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:55875] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:55875] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:02659] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:02659] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Total dipole moment: 37 7.230934e-03 -5.931059e-02 -1.894117e-02 6.268014e-02 1.837921e-02 -1.507525e-01 -4.814367e-02 1.593171e-01 > Total dipole moment: 37 7.230935e-03 -5.931059e-02 -1.894117e-02 6.268014e-02 1.837921e-02 -1.507525e-01 -4.814367e-02 1.593171e-01 @@ -4549,7 +4590,7 @@ < Transition dipole moment: 0 -> 10 2.001950e-04 -6.870956e-02 3.453658e-03 6.879659e-02 5.088450e-04 -1.746423e-01 8.778326e-03 1.748635e-01 > Transition dipole moment: 0 -> 10 2.001949e-04 -6.870956e-02 3.453658e-03 6.879659e-02 5.088449e-04 -1.746423e-01 8.778326e-03 1.748635e-01 < Error: 2.946238e-07 8.017187e-06 -> Error: 2.946249e-07 8.017214e-06 +> Error: 2.946248e-07 8.017214e-06 < Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204092e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060497e-06 1.696044e-01 > Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204093e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060499e-06 1.696044e-01 < Electronic dipole moment: 8 7.464424e-04 -3.185396e-02 2.409892e-02 3.994984e-02 1.897268e-03 -8.096470e-02 6.125335e-02 1.015424e-01 @@ -4557,7 +4598,7 @@ < Transition dipole moment: 0 -> 10 2.335316e-04 -6.851517e-02 3.417653e-03 6.860075e-02 5.935782e-04 -1.741482e-01 8.686809e-03 1.743658e-01 > Transition dipole moment: 0 -> 10 2.335315e-04 -6.851517e-02 3.417653e-03 6.860075e-02 5.935781e-04 -1.741482e-01 8.686809e-03 1.743658e-01 < Error: 2.292038e-07 6.237002e-06 -> Error: 2.292049e-07 6.237034e-06 +> Error: 2.292049e-07 6.237033e-06 < Total dipole moment: 35 3.930855e-05 1.932643e-02 -1.337968e-02 2.350592e-02 9.991238e-05 4.912290e-02 -3.400776e-02 5.974610e-02 > Total dipole moment: 35 3.930854e-05 1.932643e-02 -1.337968e-02 2.350592e-02 9.991237e-05 4.912290e-02 -3.400776e-02 5.974610e-02 < Transition dipole moment: 0 -> 10 2.810612e-04 -6.824413e-02 3.367232e-03 6.832773e-02 7.143865e-04 -1.734593e-01 8.558652e-03 1.736718e-01 @@ -4565,7 +4606,7 @@ < Error: 3.309167e-07 9.004774e-06 > Error: 3.309180e-07 9.004810e-06 < Error: 3.183561e-07 8.662979e-06 -> Error: 3.183563e-07 8.662985e-06 +> Error: 3.183563e-07 8.662984e-06 @@ -4581,11 +4622,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[16358,1],0]: A high-performance Open MPI point-to-point messaging module +[[34434,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4601,7 +4642,7 @@ < Error: 2.291961e-07 6.236794e-06 > Error: 2.291985e-07 6.236859e-06 < Error: 3.309081e-07 9.004540e-06 -> Error: 3.309049e-07 9.004451e-06 +> Error: 3.309048e-07 9.004451e-06 < Error: 3.183379e-07 8.662485e-06 > Error: 3.183374e-07 8.662471e-06 @@ -4612,11 +4653,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[15947,1],0]: A high-performance Open MPI point-to-point messaging module +[[33265,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4643,11 +4684,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[16016,1],0]: A high-performance Open MPI point-to-point messaging module +[[32816,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4655,8 +4696,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:56223] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:56223] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:03425] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:03425] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.983706e-07 8.119141e-06 > Error: 2.983687e-07 8.119091e-06 @@ -4665,7 +4706,7 @@ < Error: 2.291961e-07 6.236794e-06 > Error: 2.291985e-07 6.236859e-06 < Error: 3.309081e-07 9.004540e-06 -> Error: 3.309049e-07 9.004451e-06 +> Error: 3.309048e-07 9.004451e-06 < Error: 3.183379e-07 8.662485e-06 > Error: 3.183374e-07 8.662471e-06 @@ -4682,11 +4723,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_pm3.in > temp.dat -------------------------------------------------------------------------- -[[14666,1],0]: A high-performance Open MPI point-to-point messaging module +[[33723,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4703,11 +4744,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_pm3.in > temp.dat -------------------------------------------------------------------------- -[[14691,1],0]: A high-performance Open MPI point-to-point messaging module +[[40731,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4723,12 +4764,13 @@ MKL_NUM_THREADS:4 OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_pm3.in > temp.dat +[i-capture-the-hostname:04988] PMIX ERROR: UNREACHABLE in file ../../../../../../src/mca/ptl/tcp/ptl_tcp_component.c at line 1630 -------------------------------------------------------------------------- -[[14748,1],0]: A high-performance Open MPI point-to-point messaging module +[[40493,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4736,8 +4778,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:56467] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:56467] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:04988] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:04988] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_pm3.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4749,11 +4791,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3.in > temp.dat -------------------------------------------------------------------------- -[[14814,1],0]: A high-performance Open MPI point-to-point messaging module +[[39078,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4770,11 +4812,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3.in > temp.dat -------------------------------------------------------------------------- -[[14839,1],0]: A high-performance Open MPI point-to-point messaging module +[[39859,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4791,11 +4833,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3.in > temp.dat -------------------------------------------------------------------------- -[[14352,1],0]: A high-performance Open MPI point-to-point messaging module +[[37956,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4803,8 +4845,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:56607] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:56607] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:06421] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:06421] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4821,11 +4863,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[14418,1],0]: A high-performance Open MPI point-to-point messaging module +[[38603,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4844,11 +4886,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[14475,1],0]: A high-performance Open MPI point-to-point messaging module +[[37274,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4867,11 +4909,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[14500,1],0]: A high-performance Open MPI point-to-point messaging module +[[37018,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4879,8 +4921,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:56747] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:56747] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:07627] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:07627] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_pm3_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: 3.552714e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.030099e-15 -2.389595e-06 2.389595e-01 2.389595e-01 > Core Dipole moment: 3.663736e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.312290e-15 -2.389595e-06 2.389595e-01 2.389595e-01 @@ -4894,11 +4936,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[14566,1],0]: A high-performance Open MPI point-to-point messaging module +[[37780,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4915,11 +4957,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[15135,1],0]: A high-performance Open MPI point-to-point messaging module +[[37427,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4936,11 +4978,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[15160,1],0]: A high-performance Open MPI point-to-point messaging module +[[44488,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4948,8 +4990,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:56887] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:56887] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:08345] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:08345] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4966,11 +5008,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[15226,1],0]: A high-performance Open MPI point-to-point messaging module +[[44171,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4989,11 +5031,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[15251,1],0]: A high-performance Open MPI point-to-point messaging module +[[44857,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5012,11 +5054,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[15308,1],0]: A high-performance Open MPI point-to-point messaging module +[[44667,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5024,8 +5066,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:57027] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:57027] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:09002] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:09002] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_pm3_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: 3.552714e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.030099e-15 -2.389595e-06 2.389595e-01 2.389595e-01 > Core Dipole moment: 3.663736e-15 -9.401387e-07 9.401387e-02 9.401387e-02 9.312290e-15 -2.389595e-06 2.389595e-01 2.389595e-01 @@ -5040,11 +5082,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[14862,1],0]: A high-performance Open MPI point-to-point messaging module +[[44777,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5061,11 +5103,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[14887,1],0]: A high-performance Open MPI point-to-point messaging module +[[43314,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5082,11 +5124,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[14912,1],0]: A high-performance Open MPI point-to-point messaging module +[[43403,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5094,8 +5136,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:57167] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:57167] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:09434] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:09434] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -5111,11 +5153,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_force.in > temp.dat -------------------------------------------------------------------------- -[[14978,1],0]: A high-performance Open MPI point-to-point messaging module +[[43158,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5125,15 +5167,15 @@ -------------------------------------------------------------------------- command: diff c2h6_pm3_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.012719e-10 5.476931e-09 -> Error: 2.011760e-10 5.474320e-09 +> Error: 2.011831e-10 5.474514e-09 < Error: 8.029879e-10 2.185059e-08 -> Error: 8.029453e-10 2.184943e-08 +> Error: 8.029382e-10 2.184923e-08 < Error: 1.819158e-09 4.950221e-08 -> Error: 1.819009e-09 4.949815e-08 +> Error: 1.819002e-09 4.949796e-08 < Error: 3.230431e-09 8.790521e-08 > Error: 3.230371e-09 8.790356e-08 < Error: 5.011284e-09 1.363651e-07 -> Error: 5.011177e-09 1.363622e-07 +> Error: 5.011170e-09 1.363620e-07 @@ -5142,11 +5184,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_force.in > temp.dat -------------------------------------------------------------------------- -[[15063,1],0]: A high-performance Open MPI point-to-point messaging module +[[43550,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5158,11 +5200,11 @@ < Error: 2.012719e-10 5.476931e-09 > Error: 2.011831e-10 5.474514e-09 < Error: 8.029879e-10 2.185059e-08 -> Error: 8.029382e-10 2.184923e-08 +> Error: 8.029453e-10 2.184943e-08 < Error: 1.819158e-09 4.950221e-08 > Error: 1.819002e-09 4.949796e-08 < Error: 3.230431e-09 8.790521e-08 -> Error: 3.230371e-09 8.790356e-08 +> Error: 3.230378e-09 8.790376e-08 < Error: 5.011284e-09 1.363651e-07 > Error: 5.011170e-09 1.363620e-07 @@ -5173,11 +5215,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_force.in > temp.dat -------------------------------------------------------------------------- -[[1324,1],0]: A high-performance Open MPI point-to-point messaging module +[[42004,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5185,8 +5227,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:57379] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:57379] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:10565] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:10565] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.012719e-10 5.476931e-09 > Error: 2.011831e-10 5.474514e-09 @@ -5213,11 +5255,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[1446,1],0]: A high-performance Open MPI point-to-point messaging module +[[42890,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5242,11 +5284,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[1038,1],0]: A high-performance Open MPI point-to-point messaging module +[[42719,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5256,7 +5298,7 @@ -------------------------------------------------------------------------- command: diff c2h6_pm3_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.943717e-07 -5.289165e-06 -> Error: -1.943718e-07 -5.289168e-06 +> Error: -1.943718e-07 -5.289167e-06 < Error: -1.493673e-07 -4.064525e-06 > Error: -1.493674e-07 -4.064526e-06 < Error: -1.677722e-07 -4.565350e-06 @@ -5271,11 +5313,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[1110,1],0]: A high-performance Open MPI point-to-point messaging module +[[41273,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5283,8 +5325,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:57689] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:57689] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:11368] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:11368] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.943717e-07 -5.289165e-06 > Error: -1.943718e-07 -5.289168e-06 @@ -5309,11 +5351,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[1270,1],0]: A high-performance Open MPI point-to-point messaging module +[[41068,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5340,11 +5382,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[1885,1],0]: A high-performance Open MPI point-to-point messaging module +[[41101,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5371,11 +5413,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[1957,1],0]: A high-performance Open MPI point-to-point messaging module +[[41779,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5383,8 +5425,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:58026] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:58026] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:11874] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:11874] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.769128e-07 -4.814080e-06 > Error: -1.769129e-07 -4.814083e-06 @@ -5410,11 +5452,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg.in > temp.dat -------------------------------------------------------------------------- -[[1605,1],0]: A high-performance Open MPI point-to-point messaging module +[[41570,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5431,11 +5473,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg.in > temp.dat -------------------------------------------------------------------------- -[[1661,1],0]: A high-performance Open MPI point-to-point messaging module +[[48405,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5452,11 +5494,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg.in > temp.dat -------------------------------------------------------------------------- -[[1686,1],0]: A high-performance Open MPI point-to-point messaging module +[[48587,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5464,8 +5506,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:58265] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:58265] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:12442] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:12442] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -5482,11 +5524,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[1750,1],0]: A high-performance Open MPI point-to-point messaging module +[[48197,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5503,11 +5545,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[271,1],0]: A high-performance Open MPI point-to-point messaging module +[[48171,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5524,11 +5566,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[296,1],0]: A high-performance Open MPI point-to-point messaging module +[[48314,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5536,8 +5578,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:58407] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:58407] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:12779] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:12779] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -5554,11 +5596,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[362,1],0]: A high-performance Open MPI point-to-point messaging module +[[48951,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5575,11 +5617,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[387,1],0]: A high-performance Open MPI point-to-point messaging module +[[48657,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5596,11 +5638,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[442,1],0]: A high-performance Open MPI point-to-point messaging module +[[48812,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5608,8 +5650,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:58549] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:58549] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:13309] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:13309] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -5625,11 +5667,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_force.in > temp.dat -------------------------------------------------------------------------- -[[508,1],0]: A high-performance Open MPI point-to-point messaging module +[[47612,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5641,13 +5683,13 @@ < Error: 1.803375e-10 4.907273e-09 > Error: 1.803588e-10 4.907853e-09 < Error: 7.215366e-10 1.963417e-08 -> Error: 7.214691e-10 1.963233e-08 +> Error: 7.214620e-10 1.963214e-08 < Error: 1.636071e-09 4.452011e-08 -> Error: 1.636124e-09 4.452156e-08 +> Error: 1.636117e-09 4.452137e-08 < Error: 2.906285e-09 7.908467e-08 -> Error: 2.906335e-09 7.908603e-08 +> Error: 2.906328e-09 7.908583e-08 < Error: 4.507811e-09 1.226648e-07 -> Error: 4.507818e-09 1.226650e-07 +> Error: 4.507825e-09 1.226651e-07 @@ -5656,11 +5698,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_force.in > temp.dat -------------------------------------------------------------------------- -[[49,1],0]: A high-performance Open MPI point-to-point messaging module +[[47215,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5670,15 +5712,13 @@ -------------------------------------------------------------------------- command: diff c2h6_pm3pddg_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 1.803375e-10 4.907273e-09 -> Error: 1.803588e-10 4.907853e-09 +> Error: 1.803517e-10 4.907660e-09 < Error: 7.215366e-10 1.963417e-08 -> Error: 7.214620e-10 1.963214e-08 +> Error: 7.214549e-10 1.963194e-08 < Error: 1.636071e-09 4.452011e-08 -> Error: 1.636117e-09 4.452137e-08 +> Error: 1.636110e-09 4.452117e-08 < Error: 2.906285e-09 7.908467e-08 -> Error: 2.906335e-09 7.908603e-08 -< Error: 4.507811e-09 1.226648e-07 -> Error: 4.507825e-09 1.226651e-07 +> Error: 2.906328e-09 7.908583e-08 @@ -5687,11 +5727,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_force.in > temp.dat -------------------------------------------------------------------------- -[[134,1],0]: A high-performance Open MPI point-to-point messaging module +[[47260,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5699,8 +5739,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:58761] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:58761] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:13773] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:13773] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 1.803375e-10 4.907273e-09 > Error: 1.803588e-10 4.907853e-09 @@ -5709,7 +5749,7 @@ < Error: 1.636071e-09 4.452011e-08 > Error: 1.636117e-09 4.452137e-08 < Error: 2.906285e-09 7.908467e-08 -> Error: 2.906335e-09 7.908603e-08 +> Error: 2.906328e-09 7.908583e-08 < Error: 4.507811e-09 1.226648e-07 > Error: 4.507825e-09 1.226651e-07 @@ -5727,11 +5767,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[768,1],0]: A high-performance Open MPI point-to-point messaging module +[[48113,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5742,8 +5782,6 @@ command: diff c2h6_pm3pddg_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.536693e-07 -4.181588e-06 > Error: -1.536693e-07 -4.181589e-06 -< Error: -1.324453e-07 -3.604048e-06 -> Error: -1.324453e-07 -3.604049e-06 @@ -5752,11 +5790,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[872,1],0]: A high-performance Open MPI point-to-point messaging module +[[47766,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5766,7 +5804,11 @@ -------------------------------------------------------------------------- command: diff c2h6_pm3pddg_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.536693e-07 -4.181588e-06 -> Error: -1.536693e-07 -4.181589e-06 +> Error: -1.536694e-07 -4.181589e-06 +< Error: -1.159956e-07 -3.156427e-06 +> Error: -1.159957e-07 -3.156428e-06 +< Error: -1.324453e-07 -3.604048e-06 +> Error: -1.324453e-07 -3.604049e-06 @@ -5775,11 +5817,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[944,1],0]: A high-performance Open MPI point-to-point messaging module +[[46349,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5787,8 +5829,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:59071] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:59071] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:14428] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:14428] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.536693e-07 -4.181588e-06 > Error: -1.536693e-07 -4.181589e-06 @@ -5807,11 +5849,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[592,1],0]: A high-performance Open MPI point-to-point messaging module +[[46097,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5836,11 +5878,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[696,1],0]: A high-performance Open MPI point-to-point messaging module +[[46233,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5854,9 +5896,9 @@ < Error: -1.536696e-07 -4.181595e-06 > Error: -1.536695e-07 -4.181593e-06 < Error: -1.324459e-07 -3.604065e-06 -> Error: -1.324458e-07 -3.604064e-06 +> Error: -1.324459e-07 -3.604064e-06 < Error: -1.510680e-07 -4.110801e-06 -> Error: -1.510679e-07 -4.110799e-06 +> Error: -1.510679e-07 -4.110800e-06 @@ -5865,11 +5907,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[3328,1],0]: A high-performance Open MPI point-to-point messaging module +[[47096,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5877,8 +5919,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:59407] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:59407] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:15017] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:15017] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.381869e-07 -3.760287e-06 > Error: -1.381870e-07 -3.760289e-06 @@ -5903,11 +5945,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_opt_steepest.in > temp.dat -------------------------------------------------------------------------- -[[3519,1],0]: A high-performance Open MPI point-to-point messaging module +[[46813,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5926,11 +5968,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_opt_steepest.in > temp.dat -------------------------------------------------------------------------- -[[3038,1],0]: A high-performance Open MPI point-to-point messaging module +[[53092,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5949,11 +5991,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_opt_steepest.in > temp.dat -------------------------------------------------------------------------- -[[4606,1],0]: A high-performance Open MPI point-to-point messaging module +[[50362,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5961,13 +6003,11 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:62705] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:62705] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:18923] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:18923] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_opt_steepest.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: -2.436649e-01 -1.424472e-01 -5.273559e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -1.340405e-15 7.174023e-01 > Core Dipole moment: -2.436649e-01 -1.424472e-01 -2.498002e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -6.349289e-16 7.174023e-01 -< Core Dipole moment: -9.550199e-04 -1.913164e-02 3.905131e-04 1.915944e-02 -2.427419e-03 -4.862778e-02 9.925855e-04 4.869844e-02 -> Core Dipole moment: -9.550199e-04 -1.913164e-02 3.905131e-04 1.915944e-02 -2.427419e-03 -4.862778e-02 9.925854e-04 4.869844e-02 @@ -5982,11 +6022,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_opt_conjugate.in > temp.dat -------------------------------------------------------------------------- -[[59240,1],0]: A high-performance Open MPI point-to-point messaging module +[[54546,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6005,11 +6045,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_opt_conjugate.in > temp.dat -------------------------------------------------------------------------- -[[57598,1],0]: A high-performance Open MPI point-to-point messaging module +[[53314,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6028,11 +6068,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_opt_conjugate.in > temp.dat -------------------------------------------------------------------------- -[[60528,1],0]: A high-performance Open MPI point-to-point messaging module +[[61325,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6040,8 +6080,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:02431] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:02431] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:25308] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:25308] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_opt_conjugate.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: -2.436649e-01 -1.424472e-01 -5.273559e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -1.340405e-15 7.174023e-01 > Core Dipole moment: -2.436649e-01 -1.424472e-01 -2.498002e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -6.349289e-16 7.174023e-01 @@ -6059,11 +6099,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_opt_bfgs.in > temp.dat -------------------------------------------------------------------------- -[[62840,1],0]: A high-performance Open MPI point-to-point messaging module +[[57604,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6088,11 +6128,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_opt_bfgs.in > temp.dat -------------------------------------------------------------------------- -[[62634,1],0]: A high-performance Open MPI point-to-point messaging module +[[57919,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6105,6 +6145,10 @@ > Max size of the optimization step: 0.300000 < Core Dipole moment: -2.436649e-01 -1.424472e-01 -5.273559e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -1.340405e-15 7.174023e-01 > Core Dipole moment: -2.436649e-01 -1.424472e-01 -2.498002e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -6.349289e-16 7.174023e-01 +< actual energy change = -6.340346e-07 +> actual energy change = -6.340347e-07 +< Energy difference: -6.340346e-07 [a.u.] +> Energy difference: -6.340347e-07 [a.u.] @@ -6113,11 +6157,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_opt_bfgs.in > temp.dat -------------------------------------------------------------------------- -[[63451,1],0]: A high-performance Open MPI point-to-point messaging module +[[65076,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6125,13 +6169,15 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:04820] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:04820] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:29541] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:29541] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_opt_bfgs.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] > Initial trust radius: 0.300000 > Max size of the optimization step: 0.300000 < Core Dipole moment: -2.436649e-01 -1.424472e-01 -5.273559e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -1.340405e-15 7.174023e-01 > Core Dipole moment: -2.436649e-01 -1.424472e-01 -2.498002e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -6.349289e-16 7.174023e-01 +< actual/expected energy change = 1.426738 +> actual/expected energy change = 1.426739 < actual energy change = -6.340346e-07 > actual energy change = -6.340347e-07 < Energy difference: -6.340346e-07 [a.u.] @@ -6150,11 +6196,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_opt_gediis.in > temp.dat -------------------------------------------------------------------------- -[[61487,1],0]: A high-performance Open MPI point-to-point messaging module +[[64186,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6167,6 +6213,10 @@ > Core Dipole moment: -2.436649e-01 -1.424472e-01 -2.498002e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -6.349289e-16 7.174023e-01 < actual/expected energy change = 1.400875 > actual/expected energy change = 1.400874 +< actual energy change = -9.018689e-07 +> actual energy change = -9.018690e-07 +< Energy difference: -9.018689e-07 [a.u.] +> Energy difference: -9.018690e-07 [a.u.] < Current Heap(Leaked): 0.010752[MB]. > Current Heap(Leaked): 0.009408[MB]. @@ -6177,11 +6227,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_opt_gediis.in > temp.dat -------------------------------------------------------------------------- -[[62272,1],0]: A high-performance Open MPI point-to-point messaging module +[[63170,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6192,6 +6242,8 @@ command: diff c2h6_pm3pddg_opt_gediis.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: -2.436649e-01 -1.424472e-01 -5.273559e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -1.340405e-15 7.174023e-01 > Core Dipole moment: -2.436649e-01 -1.424472e-01 -2.498002e-16 2.822477e-01 -6.193345e-01 -3.620646e-01 -6.349289e-16 7.174023e-01 +< actual/expected energy change = 1.400728 +> actual/expected energy change = 1.400729 < actual/expected energy change = 1.400875 > actual/expected energy change = 1.400874 < actual energy change = -9.018689e-07 @@ -6214,11 +6266,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_MC.in > temp.dat -------------------------------------------------------------------------- -[[62064,1],0]: A high-performance Open MPI point-to-point messaging module +[[62028,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6235,11 +6287,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_MC.in > temp.dat -------------------------------------------------------------------------- -[[62185,1],0]: A high-performance Open MPI point-to-point messaging module +[[36653,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6256,11 +6308,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_MC.in > temp.dat -------------------------------------------------------------------------- -[[64834,1],0]: A high-performance Open MPI point-to-point messaging module +[[35160,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6268,8 +6320,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:06221] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:06221] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:01033] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:01033] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_MC.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6286,11 +6338,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_directCIS_singlet_MC.in > temp.dat -------------------------------------------------------------------------- -[[64516,1],0]: A high-performance Open MPI point-to-point messaging module +[[35444,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6307,11 +6359,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_directCIS_singlet_MC.in > temp.dat -------------------------------------------------------------------------- -[[64637,1],0]: A high-performance Open MPI point-to-point messaging module +[[34182,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6328,11 +6380,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_directCIS_singlet_MC.in > temp.dat -------------------------------------------------------------------------- -[[64726,1],0]: A high-performance Open MPI point-to-point messaging module +[[34664,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6340,8 +6392,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:06617] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:06617] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:02617] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:02617] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_directCIS_singlet_MC.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6357,11 +6409,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[65432,1],0]: A high-performance Open MPI point-to-point messaging module +[[33260,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6373,13 +6425,13 @@ < Error 5.540741e-10 1.507724e-08 > Error 5.541381e-10 1.507898e-08 < Error 2.215110e-09 6.027669e-08 -> Error 2.215216e-09 6.027959e-08 +> Error 2.215224e-09 6.027978e-08 < Error 4.979285e-09 1.354943e-07 -> Error 4.979313e-09 1.354951e-07 +> Error 4.979306e-09 1.354949e-07 < Error 8.839990e-09 2.405503e-07 > Error 8.840097e-09 2.405532e-07 < Error 1.378834e-08 3.752030e-07 -> Error 1.378859e-08 3.752097e-07 +> Error 1.378859e-08 3.752095e-07 @@ -6388,11 +6440,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[63525,1],0]: A high-performance Open MPI point-to-point messaging module +[[40283,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6402,15 +6454,15 @@ -------------------------------------------------------------------------- command: diff c2h6_pm3pddg_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 5.540741e-10 1.507724e-08 -> Error 5.541523e-10 1.507937e-08 +> Error 5.541452e-10 1.507918e-08 < Error 2.215110e-09 6.027669e-08 -> Error 2.215238e-09 6.028017e-08 +> Error 2.215224e-09 6.027978e-08 < Error 4.979285e-09 1.354943e-07 -> Error 4.979313e-09 1.354951e-07 +> Error 4.979320e-09 1.354953e-07 < Error 8.839990e-09 2.405503e-07 -> Error 8.840111e-09 2.405536e-07 +> Error 8.840104e-09 2.405534e-07 < Error 1.378834e-08 3.752030e-07 -> Error 1.378860e-08 3.752099e-07 +> Error 1.378859e-08 3.752097e-07 @@ -6419,11 +6471,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[64178,1],0]: A high-performance Open MPI point-to-point messaging module +[[38930,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6431,19 +6483,19 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:08125] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:08125] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:05443] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:05443] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 5.540741e-10 1.507724e-08 -> Error 5.541523e-10 1.507937e-08 +> Error 5.541381e-10 1.507898e-08 < Error 2.215110e-09 6.027669e-08 -> Error 2.215238e-09 6.028017e-08 +> Error 2.215224e-09 6.027978e-08 < Error 4.979285e-09 1.354943e-07 -> Error 4.979313e-09 1.354951e-07 +> Error 4.979306e-09 1.354949e-07 < Error 8.839990e-09 2.405503e-07 -> Error 8.840111e-09 2.405536e-07 +> Error 8.840097e-09 2.405532e-07 < Error 1.378834e-08 3.752030e-07 -> Error 1.378860e-08 3.752099e-07 +> Error 1.378859e-08 3.752095e-07 @@ -6459,11 +6511,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[49627,1],0]: A high-performance Open MPI point-to-point messaging module +[[37165,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6473,13 +6525,13 @@ -------------------------------------------------------------------------- command: diff c2h6_pm3pddg_davidsonCIS_singlet_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 1.336531e-11 3.636915e-10 -> Error 1.359268e-11 3.698787e-10 +> Error 1.358558e-11 3.696853e-10 < Error 6.147616e-11 1.672865e-09 -> Error 6.141931e-11 1.671318e-09 +> Error 6.140510e-11 1.670931e-09 < Error 1.656701e-10 4.508150e-09 -> Error 1.655920e-10 4.506023e-09 +> Error 1.655991e-10 4.506217e-09 < Error 3.619363e-10 9.848866e-09 -> Error 3.618865e-10 9.847512e-09 +> Error 3.618723e-10 9.847125e-09 < Error 6.995009e-10 1.903454e-08 > Error 6.995435e-10 1.903570e-08 @@ -6490,11 +6542,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[49810,1],0]: A high-performance Open MPI point-to-point messaging module +[[44469,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6506,13 +6558,13 @@ < Error 1.336531e-11 3.636915e-10 > Error 1.359268e-11 3.698787e-10 < Error 6.147616e-11 1.672865e-09 -> Error 6.140510e-11 1.670931e-09 +> Error 6.141221e-11 1.671125e-09 < Error 1.656701e-10 4.508150e-09 -> Error 1.655920e-10 4.506023e-09 +> Error 1.655991e-10 4.506217e-09 < Error 3.619363e-10 9.848866e-09 > Error 3.618794e-10 9.847319e-09 < Error 6.995009e-10 1.903454e-08 -> Error 6.995435e-10 1.903570e-08 +> Error 6.995506e-10 1.903589e-08 @@ -6521,11 +6573,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_davidsonCIS_singlet_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[53116,1],1]: A high-performance Open MPI point-to-point messaging module +[[43097,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6533,17 +6585,17 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:10867] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:10867] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:09480] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:09480] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_davidsonCIS_singlet_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 1.336531e-11 3.636915e-10 -> Error 1.359268e-11 3.698787e-10 +> Error 1.358558e-11 3.696853e-10 < Error 6.147616e-11 1.672865e-09 > Error 6.140510e-11 1.670931e-09 < Error 1.656701e-10 4.508150e-09 -> Error 1.655920e-10 4.506023e-09 +> Error 1.655991e-10 4.506217e-09 < Error 3.619363e-10 9.848866e-09 -> Error 3.618794e-10 9.847319e-09 +> Error 3.618723e-10 9.847125e-09 < Error 6.995009e-10 1.903454e-08 > Error 6.995435e-10 1.903570e-08 @@ -6560,11 +6612,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3d.in > temp.dat -------------------------------------------------------------------------- -[[51960,1],0]: A high-performance Open MPI point-to-point messaging module +[[41379,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6581,11 +6633,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3d.in > temp.dat -------------------------------------------------------------------------- -[[54545,1],0]: A high-performance Open MPI point-to-point messaging module +[[41151,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6602,11 +6654,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3d.in > temp.dat -------------------------------------------------------------------------- -[[54602,1],0]: A high-performance Open MPI point-to-point messaging module +[[41832,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6614,8 +6666,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:12357] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:12357] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:11833] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:11833] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3d.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6631,11 +6683,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_vdw.in > temp.dat -------------------------------------------------------------------------- -[[54668,1],0]: A high-performance Open MPI point-to-point messaging module +[[41856,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6652,11 +6704,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_vdw.in > temp.dat -------------------------------------------------------------------------- -[[54693,1],0]: A high-performance Open MPI point-to-point messaging module +[[41654,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6673,11 +6725,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_vdw.in > temp.dat -------------------------------------------------------------------------- -[[54750,1],0]: A high-performance Open MPI point-to-point messaging module +[[48445,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6685,8 +6737,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:12497] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:12497] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:12396] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:12396] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_vdw.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6702,11 +6754,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_vdw_force.in > temp.dat -------------------------------------------------------------------------- -[[54272,1],0]: A high-performance Open MPI point-to-point messaging module +[[48206,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6716,13 +6768,11 @@ -------------------------------------------------------------------------- command: diff c2h6_pm3_vdw_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 1.999307e-10 5.440436e-09 -> Error: 1.999414e-10 5.440726e-09 -< Error: 7.976322e-10 2.170485e-08 -> Error: 7.976393e-10 2.170504e-08 +> Error: 1.999343e-10 5.440532e-09 < Error: 1.806463e-09 4.915674e-08 > Error: 1.806473e-09 4.915703e-08 < Error: 3.207925e-09 8.729277e-08 -> Error: 3.207861e-09 8.729103e-08 +> Error: 3.207868e-09 8.729122e-08 < Error: 4.976553e-09 1.354200e-07 > Error: 4.976542e-09 1.354197e-07 @@ -6733,11 +6783,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_vdw_force.in > temp.dat -------------------------------------------------------------------------- -[[54357,1],0]: A high-performance Open MPI point-to-point messaging module +[[48986,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6749,9 +6799,9 @@ < Error: 1.999307e-10 5.440436e-09 > Error: 1.999414e-10 5.440726e-09 < Error: 1.806463e-09 4.915674e-08 -> Error: 1.806477e-09 4.915713e-08 +> Error: 1.806473e-09 4.915703e-08 < Error: 3.207925e-09 8.729277e-08 -> Error: 3.207861e-09 8.729103e-08 +> Error: 3.207868e-09 8.729122e-08 < Error: 4.976553e-09 1.354200e-07 > Error: 4.976542e-09 1.354197e-07 @@ -6762,11 +6812,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_vdw_force.in > temp.dat -------------------------------------------------------------------------- -[[54442,1],0]: A high-performance Open MPI point-to-point messaging module +[[49136,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6774,15 +6824,15 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:12709] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:12709] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:12961] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:12961] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_vdw_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 1.999307e-10 5.440436e-09 -> Error: 1.999414e-10 5.440726e-09 +> Error: 1.999343e-10 5.440532e-09 < Error: 1.806463e-09 4.915674e-08 -> Error: 1.806477e-09 4.915713e-08 +> Error: 1.806473e-09 4.915703e-08 < Error: 3.207925e-09 8.729277e-08 -> Error: 3.207861e-09 8.729103e-08 +> Error: 3.207868e-09 8.729122e-08 < Error: 4.976553e-09 1.354200e-07 > Error: 4.976542e-09 1.354197e-07 @@ -6799,11 +6849,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_vdw_MC.in > temp.dat -------------------------------------------------------------------------- -[[55076,1],0]: A high-performance Open MPI point-to-point messaging module +[[47485,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6820,11 +6870,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_vdw_MC.in > temp.dat -------------------------------------------------------------------------- -[[55197,1],0]: A high-performance Open MPI point-to-point messaging module +[[47770,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6841,11 +6891,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_vdw_MC.in > temp.dat -------------------------------------------------------------------------- -[[55286,1],0]: A high-performance Open MPI point-to-point messaging module +[[46279,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6853,8 +6903,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:13049] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:13049] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:14742] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:14742] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_vdw_MC.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6870,11 +6920,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6-h2o-cluster_pm3pddg_freq.in > temp.dat -------------------------------------------------------------------------- -[[54968,1],0]: A high-performance Open MPI point-to-point messaging module +[[45458,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6891,11 +6941,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6-h2o-cluster_pm3pddg_freq.in > temp.dat -------------------------------------------------------------------------- -[[54993,1],0]: A high-performance Open MPI point-to-point messaging module +[[45887,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6912,11 +6962,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6-h2o-cluster_pm3pddg_freq.in > temp.dat -------------------------------------------------------------------------- -[[53514,1],0]: A high-performance Open MPI point-to-point messaging module +[[45582,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6924,8 +6974,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:13317] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:13317] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:16223] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:16223] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6-h2o-cluster_pm3pddg_freq.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6941,11 +6991,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6-nh3-cluster_pm3d_freq.in > temp.dat -------------------------------------------------------------------------- -[[53580,1],0]: A high-performance Open MPI point-to-point messaging module +[[53005,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6962,11 +7012,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6-nh3-cluster_pm3d_freq.in > temp.dat -------------------------------------------------------------------------- -[[53604,1],0]: A high-performance Open MPI point-to-point messaging module +[[52802,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6983,11 +7033,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6-nh3-cluster_pm3d_freq.in > temp.dat -------------------------------------------------------------------------- -[[53660,1],0]: A high-performance Open MPI point-to-point messaging module +[[51301,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6995,8 +7045,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[profitbricks-build16-i386:13459] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[profitbricks-build16-i386:13459] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:17716] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:17716] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6-nh3-cluster_pm3d_freq.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -7012,11 +7062,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_directCIS_singlet_force_heap_limit.in > temp.dat -------------------------------------------------------------------------- -[[53722,1],0]: A high-performance Open MPI point-to-point messaging module +[[51936,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -7041,19 +7091,19 @@ < ./molds(main+0x6e2) [0x5f2ff6] < /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xed) [0x7f234416d76d] < ./molds() [0x48f4f9] -> ../src/molds(+0x32985) [0x565b9985] -> ../src/molds(+0x32b65) [0x565b9b65] -> ../src/molds(+0x3b806) [0x565c2806] -> ../src/molds(+0x804ee) [0x566074ee] -> ../src/molds(+0xd13c2) [0x566583c2] -> ../src/molds(+0xd1744) [0x56658744] -> ../src/molds(+0xd0ddb) [0x56657ddb] -> ../src/molds(+0xd6ca6) [0x5665dca6] -> ../src/molds(+0xec4c5) [0x566734c5] -> ../src/molds(+0xecacb) [0x56673acb] -> ../src/molds(+0x2df75) [0x565b4f75] -> /lib/i386-linux-gnu/libc.so.6(__libc_start_main+0xf1) [0xf632bb41] -> ../src/molds(+0x2e071) [0x565b5071] +> ../src/molds(+0x32985) [0x4a0985] +> ../src/molds(+0x32b65) [0x4a0b65] +> ../src/molds(+0x3b806) [0x4a9806] +> ../src/molds(+0x804ee) [0x4ee4ee] +> ../src/molds(+0xd13c2) [0x53f3c2] +> ../src/molds(+0xd1744) [0x53f744] +> ../src/molds(+0xd0ddb) [0x53eddb] +> ../src/molds(+0xd6ca6) [0x544ca6] +> ../src/molds(+0xec4c5) [0x55a4c5] +> ../src/molds(+0xecacb) [0x55aacb] +> ../src/molds(+0x2df75) [0x49bf75] +> /lib/i386-linux-gnu/libc.so.6(__libc_start_main+0xf1) [0xb6379b41] +> ../src/molds(+0x2e071) [0x49c071] @@ -7062,11 +7112,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_directCIS_singlet_force_heap_limit.in > temp.dat -------------------------------------------------------------------------- -[[53754,1],0]: A high-performance Open MPI point-to-point messaging module +[[50518,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: profitbricks-build16-i386 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -7091,19 +7141,19 @@ < ./molds(main+0x6e2) [0x5f2ff6] < /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xed) [0x7f234416d76d] < ./molds() [0x48f4f9] -> ../src/molds(+0x32985) [0x565ca985] -> ../src/molds(+0x32b65) [0x565cab65] -> ../src/molds(+0x3b806) [0x565d3806] -> ../src/molds(+0x804ee) [0x566184ee] -> ../src/molds(+0xd13c2) [0x566693c2] -> ../src/molds(+0xd1744) [0x56669744] -> ../src/molds(+0xd0ddb) [0x56668ddb] -> ../src/molds(+0xd6ca6) [0x5666eca6] -> ../src/molds(+0xec4c5) [0x566844c5] -> ../src/molds(+0xecacb) [0x56684acb] -> ../src/molds(+0x2df75) [0x565c5f75] -> /lib/i386-linux-gnu/libc.so.6(__libc_start_main+0xf1) [0xf636bb41] -> ../src/molds(+0x2e071) [0x565c6071] +> ../src/molds(+0x32985) [0x4f9985] +> ../src/molds(+0x32b65) [0x4f9b65] +> ../src/molds(+0x3b806) [0x502806] +> ../src/molds(+0x804ee) [0x5474ee] +> ../src/molds(+0xd13c2) [0x5983c2] +> ../src/molds(+0xd1744) [0x598744] +> ../src/molds(+0xd0ddb) [0x597ddb] +> ../src/molds(+0xd6ca6) [0x59dca6] +> ../src/molds(+0xec4c5) [0x5b34c5] +> ../src/molds(+0xecacb) [0x5b3acb] +> ../src/molds(+0x2df75) [0x4f4f75] +> /lib/i386-linux-gnu/libc.so.6(__libc_start_main+0xf1) [0xb63b9b41] +> ../src/molds(+0x2e071) [0x4f5071] @@ -7144,8 +7194,8 @@ dpkg-gencontrol: warning: unknown information field 'Dm-Upload-Allowed' in input data in general section of control info file dh_md5sums dh_builddeb -dpkg-deb: building package 'molds' in '../molds_0.3.1-1_i386.deb'. dpkg-deb: building package 'molds-dbgsym' in '../molds-dbgsym_0.3.1-1_i386.deb'. +dpkg-deb: building package 'molds' in '../molds_0.3.1-1_i386.deb'. dpkg-genbuildinfo --build=binary dpkg-genchanges --build=binary >../molds_0.3.1-1_i386.changes dpkg-genchanges: warning: unknown information field 'Dm-Upload-Allowed' in input data in general section of control info file @@ -7154,12 +7204,14 @@ dpkg-source: warning: unknown information field 'Dm-Upload-Allowed' in input data in general section of control info file dpkg-buildpackage: info: binary-only upload (no source included) I: copying local configuration +I: user script /srv/workspace/pbuilder/16849/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/16849/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/45769 and its subdirectories -I: Current time: Sat Jul 10 05:51:51 -12 2021 -I: pbuilder-time-stamp: 1625939511 +I: removing directory /srv/workspace/pbuilder/16849 and its subdirectories +I: Current time: Mon Jun 8 03:31:39 +14 2020 +I: pbuilder-time-stamp: 1591536699