RUN: /usr/share/launchpad-buildd/slavebin/slave-prep ['slave-prep'] Forking launchpad-buildd slave process... Kernel version: Linux lgw01-55 3.19.0-30-generic #34~14.04.1-Ubuntu SMP Fri Oct 2 22:09:39 UTC 2015 x86_64 Buildd toolchain package versions: launchpad-buildd_134 python-lpbuildd_134 sbuild_0.65.2-1ubuntu2~ubuntu14.04.1~ppa6 bzr-builder_0.7.3+bzr174~ppa13~ubuntu14.04.1 bzr_2.6.0+bzr6593-1ubuntu1.1 dpkg-dev_1.17.5ubuntu5.4 python-debian_0.1.27ubuntu1~ubuntu14.04.1~ppa1. Syncing the system clock with the buildd NTP service... 6 Oct 12:29:13 ntpdate[1652]: adjust time server 10.211.37.1 offset 0.000863 sec RUN: /usr/share/launchpad-buildd/slavebin/unpack-chroot ['unpack-chroot', 'PACKAGEBUILD-8092868', '/home/buildd/filecache-default/43defbe499c956451e92ba3b750bed034a29452c'] Unpacking chroot for build PACKAGEBUILD-8092868 RUN: /usr/share/launchpad-buildd/slavebin/mount-chroot ['mount-chroot', 'PACKAGEBUILD-8092868'] Mounting chroot for build PACKAGEBUILD-8092868 RUN: /usr/share/launchpad-buildd/slavebin/override-sources-list ['override-sources-list', 'PACKAGEBUILD-8092868', 'deb http://ftpmaster.internal/ubuntu wily main universe', 'deb http://ftpmaster.internal/ubuntu wily-security main universe', 'deb http://ftpmaster.internal/ubuntu wily-updates main universe', 'deb http://ftpmaster.internal/ubuntu wily-proposed main universe'] Overriding sources.list in build-PACKAGEBUILD-8092868 RUN: /usr/share/launchpad-buildd/slavebin/update-debian-chroot ['update-debian-chroot', 'PACKAGEBUILD-8092868', 'amd64'] Updating debian chroot for build PACKAGEBUILD-8092868 Ign http://archive-team.internal wily InRelease Ign http://ftpmaster.internal wily InRelease Ign http://archive-team.internal wily Release.gpg Ign http://ftpmaster.internal wily-security InRelease Get:1 http://archive-team.internal wily Release [726 B] Ign http://ftpmaster.internal wily-updates InRelease Ign http://archive-team.internal wily/main amd64 Packages/DiffIndex Ign http://ftpmaster.internal wily-proposed InRelease Get:2 http://ftpmaster.internal wily Release.gpg [933 B] Get:3 http://ftpmaster.internal wily-security Release.gpg [933 B] Get:4 http://ftpmaster.internal wily-updates Release.gpg [933 B] Get:5 http://ftpmaster.internal wily-proposed Release.gpg [933 B] Get:6 http://ftpmaster.internal wily Release [217 kB] Ign http://archive-team.internal wily/main Translation-en Get:7 http://archive-team.internal wily/main amd64 Packages Get:8 http://ftpmaster.internal wily-security Release [63.5 kB] Get:9 http://ftpmaster.internal wily-updates Release [63.5 kB] Get:10 http://ftpmaster.internal wily-proposed Release [217 kB] Get:11 http://ftpmaster.internal wily/main amd64 Packages [1426 kB] Get:12 http://ftpmaster.internal wily/universe amd64 Packages [6729 kB] Get:13 http://ftpmaster.internal wily/main Translation-en [838 kB] Get:14 http://ftpmaster.internal wily/universe Translation-en [4599 kB] Get:15 http://ftpmaster.internal wily-security/main amd64 Packages [28 B] Get:16 http://ftpmaster.internal wily-security/universe amd64 Packages [28 B] Get:17 http://ftpmaster.internal wily-security/main Translation-en [28 B] Get:18 http://ftpmaster.internal wily-security/universe Translation-en [28 B] Get:19 http://ftpmaster.internal wily-updates/main amd64 Packages [28 B] Get:20 http://ftpmaster.internal wily-updates/universe amd64 Packages [28 B] Get:21 http://ftpmaster.internal wily-updates/main Translation-en [28 B] Get:22 http://ftpmaster.internal wily-updates/universe Translation-en [28 B] Get:23 http://ftpmaster.internal wily-proposed/main amd64 Packages [12.4 kB] Get:24 http://ftpmaster.internal wily-proposed/universe amd64 Packages [58.0 kB] Get:25 http://ftpmaster.internal wily-proposed/main Translation-en [9891 B] Get:26 http://ftpmaster.internal wily-proposed/universe Translation-en [42.8 kB] Fetched 14.3 MB in 6s (2310 kB/s) Reading package lists... Reading package lists... Building dependency tree... Reading state information... The following package was automatically installed and is no longer required: libapt-pkg4.12 Use 'apt-get autoremove' to remove it. The following NEW packages will be installed: libapt-pkg4.16 The following packages will be upgraded: apt apt-transport-https bash binutils build-essential cpp-5 debconf dpkg dpkg-dev g++-5 gcc-5 gcc-5-base libapparmor1 libasan2 libasn1-8-heimdal libatomic1 libaudit-common libaudit1 libcc1-0 libcilkrts5 libcryptsetup4 libcurl3-gnutls libdb5.3 libdbus-1-3 libdpkg-perl libgcc-5-dev libgcc1 libgnutls-deb0-28 libgomp1 libgssapi3-heimdal libhcrypto4-heimdal libheimbase1-heimdal libheimntlm0-heimdal libhx509-5-heimdal libitm1 libkmod2 libkrb5-26-heimdal libldap-2.4-2 liblsan0 libmpx0 libpcre3 libquadmath0 libroken18-heimdal libsasl2-2 libsasl2-modules-db libseccomp2 libselinux1 libsemanage-common libsemanage1 libstdc++-5-dev libstdc++6 libsystemd0 libtsan0 libubsan0 libudev1 libwind0-heimdal linux-libc-dev make pkgbinarymangler systemd systemd-sysv udev zlib1g 63 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. Need to get 112 MB of archives. After this operation, 9715 kB of additional disk space will be used. Get:1 http://ftpmaster.internal/ubuntu/ wily/main bash amd64 4.3-14ubuntu1 [582 kB] Get:2 http://ftpmaster.internal/ubuntu/ wily/main dpkg amd64 1.18.2ubuntu4 [2084 kB] Get:3 http://ftpmaster.internal/ubuntu/ wily/main libgomp1 amd64 5.2.1-21ubuntu2 [55.1 kB] Get:4 http://ftpmaster.internal/ubuntu/ wily/main libitm1 amd64 5.2.1-21ubuntu2 [27.5 kB] Get:5 http://ftpmaster.internal/ubuntu/ wily/main libatomic1 amd64 5.2.1-21ubuntu2 [8948 B] Get:6 http://ftpmaster.internal/ubuntu/ wily/main libasan2 amd64 5.2.1-21ubuntu2 [269 kB] Get:7 http://ftpmaster.internal/ubuntu/ wily/main liblsan0 amd64 5.2.1-21ubuntu2 [110 kB] Get:8 http://ftpmaster.internal/ubuntu/ wily/main libtsan0 amd64 5.2.1-21ubuntu2 [249 kB] Get:9 http://ftpmaster.internal/ubuntu/ wily/main gcc-5-base amd64 5.2.1-21ubuntu2 [16.6 kB] Get:10 http://ftpmaster.internal/ubuntu/ wily/main libgcc1 amd64 1:5.2.1-21ubuntu2 [38.8 kB] Get:11 http://ftpmaster.internal/ubuntu/ wily/main libubsan0 amd64 5.2.1-21ubuntu2 [100 kB] Get:12 http://ftpmaster.internal/ubuntu/ wily/main libcilkrts5 amd64 5.2.1-21ubuntu2 [40.1 kB] Get:13 http://ftpmaster.internal/ubuntu/ wily/main libmpx0 amd64 5.2.1-21ubuntu2 [9832 B] Get:14 http://ftpmaster.internal/ubuntu/ wily/main libquadmath0 amd64 5.2.1-21ubuntu2 [131 kB] Get:15 http://ftpmaster.internal/ubuntu/ wily/main cpp-5 amd64 5.2.1-21ubuntu2 [26.6 MB] Get:16 http://ftpmaster.internal/ubuntu/ wily/main libcc1-0 amd64 5.2.1-21ubuntu2 [31.0 kB] Get:17 http://ftpmaster.internal/ubuntu/ wily/main g++-5 amd64 5.2.1-21ubuntu2 [37.3 MB] Get:18 http://ftpmaster.internal/ubuntu/ wily/main gcc-5 amd64 5.2.1-21ubuntu2 [26.7 MB] Get:19 http://ftpmaster.internal/ubuntu/ wily/main libgcc-5-dev amd64 5.2.1-21ubuntu2 [2232 kB] Get:20 http://ftpmaster.internal/ubuntu/ wily/main libstdc++-5-dev amd64 5.2.1-21ubuntu2 [1371 kB] Get:21 http://ftpmaster.internal/ubuntu/ wily/main libstdc++6 amd64 5.2.1-21ubuntu2 [393 kB] Get:22 http://ftpmaster.internal/ubuntu/ wily/main zlib1g amd64 1:1.2.8.dfsg-2ubuntu4 [51.3 kB] Get:23 http://ftpmaster.internal/ubuntu/ wily/main binutils amd64 2.25.1-5ubuntu1 [2279 kB] Get:24 http://ftpmaster.internal/ubuntu/ wily/main libapt-pkg4.16 amd64 1.0.10.2ubuntu1 [637 kB] Get:25 http://ftpmaster.internal/ubuntu/ wily/main apt amd64 1.0.10.2ubuntu1 [986 kB] Get:26 http://ftpmaster.internal/ubuntu/ wily/main debconf all 1.5.57ubuntu1 [136 kB] Get:27 http://ftpmaster.internal/ubuntu/ wily/main libpcre3 amd64 2:8.35-7.1ubuntu1 [220 kB] Get:28 http://ftpmaster.internal/ubuntu/ wily/main libsystemd0 amd64 225-1ubuntu7 [202 kB] Get:29 http://ftpmaster.internal/ubuntu/ wily/main systemd amd64 225-1ubuntu7 [3349 kB] Get:30 http://ftpmaster.internal/ubuntu/ wily/main libudev1 amd64 225-1ubuntu7 [56.1 kB] Get:31 http://ftpmaster.internal/ubuntu/ wily/main udev amd64 225-1ubuntu7 [968 kB] Get:32 http://ftpmaster.internal/ubuntu/ wily/main libkmod2 amd64 21-1ubuntu1 [39.6 kB] Get:33 http://ftpmaster.internal/ubuntu/ wily/main libselinux1 amd64 2.3-2build1 [59.2 kB] Get:34 http://ftpmaster.internal/ubuntu/ wily/main libapparmor1 amd64 2.10-0ubuntu6 [29.8 kB] Get:35 http://ftpmaster.internal/ubuntu/ wily/main libaudit-common all 1:2.4.2-1ubuntu1 [4080 B] Get:36 http://ftpmaster.internal/ubuntu/ wily/main libaudit1 amd64 1:2.4.2-1ubuntu1 [35.2 kB] Get:37 http://ftpmaster.internal/ubuntu/ wily/main libcryptsetup4 amd64 2:1.6.6-5ubuntu2 [73.2 kB] Get:38 http://ftpmaster.internal/ubuntu/ wily/main libseccomp2 amd64 2.2.3-2ubuntu1 [34.9 kB] Get:39 http://ftpmaster.internal/ubuntu/ wily/main systemd-sysv amd64 225-1ubuntu7 [14.4 kB] Get:40 http://ftpmaster.internal/ubuntu/ wily/main libgnutls-deb0-28 amd64 3.3.15-5ubuntu2 [519 kB] Get:41 http://ftpmaster.internal/ubuntu/ wily/main libroken18-heimdal amd64 1.6~rc2+dfsg-10ubuntu1 [40.4 kB] Get:42 http://ftpmaster.internal/ubuntu/ wily/main libasn1-8-heimdal amd64 1.6~rc2+dfsg-10ubuntu1 [175 kB] Get:43 http://ftpmaster.internal/ubuntu/ wily/main libhcrypto4-heimdal amd64 1.6~rc2+dfsg-10ubuntu1 [85.9 kB] Get:44 http://ftpmaster.internal/ubuntu/ wily/main libheimbase1-heimdal amd64 1.6~rc2+dfsg-10ubuntu1 [29.3 kB] Get:45 http://ftpmaster.internal/ubuntu/ wily/main libwind0-heimdal amd64 1.6~rc2+dfsg-10ubuntu1 [47.7 kB] Get:46 http://ftpmaster.internal/ubuntu/ wily/main libhx509-5-heimdal amd64 1.6~rc2+dfsg-10ubuntu1 [107 kB] Get:47 http://ftpmaster.internal/ubuntu/ wily/main libkrb5-26-heimdal amd64 1.6~rc2+dfsg-10ubuntu1 [201 kB] Get:48 http://ftpmaster.internal/ubuntu/ wily/main libheimntlm0-heimdal amd64 1.6~rc2+dfsg-10ubuntu1 [15.1 kB] Get:49 http://ftpmaster.internal/ubuntu/ wily/main libgssapi3-heimdal amd64 1.6~rc2+dfsg-10ubuntu1 [93.9 kB] Get:50 http://ftpmaster.internal/ubuntu/ wily/main libdb5.3 amd64 5.3.28-11 [670 kB] Get:51 http://ftpmaster.internal/ubuntu/ wily/main libsasl2-modules-db amd64 2.1.26.dfsg1-14 [14.6 kB] Get:52 http://ftpmaster.internal/ubuntu/ wily/main libsasl2-2 amd64 2.1.26.dfsg1-14 [49.0 kB] Get:53 http://ftpmaster.internal/ubuntu/ wily/main libldap-2.4-2 amd64 2.4.41+dfsg-1ubuntu2 [162 kB] Get:54 http://ftpmaster.internal/ubuntu/ wily/main libsemanage-common all 2.3-1build2 [6238 B] Get:55 http://ftpmaster.internal/ubuntu/ wily/main libsemanage1 amd64 2.3-1build2 [71.2 kB] Get:56 http://ftpmaster.internal/ubuntu/ wily/main libcurl3-gnutls amd64 7.43.0-1ubuntu2 [183 kB] Get:57 http://ftpmaster.internal/ubuntu/ wily/main apt-transport-https amd64 1.0.10.2ubuntu1 [25.4 kB] Get:58 http://ftpmaster.internal/ubuntu/ wily/main libdbus-1-3 amd64 1.10.0-1ubuntu1 [160 kB] Get:59 http://ftpmaster.internal/ubuntu/ wily/main make amd64 4.0-8.2 [149 kB] Get:60 http://ftpmaster.internal/ubuntu/ wily/main dpkg-dev all 1.18.2ubuntu4 [583 kB] Get:61 http://ftpmaster.internal/ubuntu/ wily/main libdpkg-perl all 1.18.2ubuntu4 [194 kB] Get:62 http://ftpmaster.internal/ubuntu/ wily/main build-essential amd64 12.1ubuntu2 [4758 B] Get:63 http://ftpmaster.internal/ubuntu/ wily/main linux-libc-dev amd64 4.2.0-14.16 [810 kB] Get:64 http://ftpmaster.internal/ubuntu/ wily/main pkgbinarymangler all 122 [28.5 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 112 MB in 5s (21.6 MB/s) (Reading database ... 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Removing obsolete conffile /etc/init/udev-fallback-graphics.conf ... Processing triggers for systemd (225-1ubuntu7) ... (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 ... 11782 files and directories currently installed.) Preparing to unpack .../libkmod2_21-1ubuntu1_amd64.deb ... Unpacking libkmod2:amd64 (21-1ubuntu1) over (18-3ubuntu1) ... Setting up libkmod2:amd64 (21-1ubuntu1) ... Processing triggers for libc-bin (2.21-0ubuntu4) ... (Reading database ... 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Unpacking libasn1-8-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) over (1.6~rc2+dfsg-10) ... Preparing to unpack .../libhcrypto4-heimdal_1.6~rc2+dfsg-10ubuntu1_amd64.deb ... Unpacking libhcrypto4-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) over (1.6~rc2+dfsg-10) ... Preparing to unpack .../libheimbase1-heimdal_1.6~rc2+dfsg-10ubuntu1_amd64.deb ... Unpacking libheimbase1-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) over (1.6~rc2+dfsg-10) ... Preparing to unpack .../libwind0-heimdal_1.6~rc2+dfsg-10ubuntu1_amd64.deb ... Unpacking libwind0-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) over (1.6~rc2+dfsg-10) ... Preparing to unpack .../libhx509-5-heimdal_1.6~rc2+dfsg-10ubuntu1_amd64.deb ... Unpacking libhx509-5-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) over (1.6~rc2+dfsg-10) ... Preparing to unpack .../libkrb5-26-heimdal_1.6~rc2+dfsg-10ubuntu1_amd64.deb ... Unpacking libkrb5-26-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) over (1.6~rc2+dfsg-10) ... Preparing to unpack .../libheimntlm0-heimdal_1.6~rc2+dfsg-10ubuntu1_amd64.deb ... Unpacking libheimntlm0-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) over (1.6~rc2+dfsg-10) ... Preparing to unpack .../libgssapi3-heimdal_1.6~rc2+dfsg-10ubuntu1_amd64.deb ... Unpacking libgssapi3-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) over (1.6~rc2+dfsg-10) ... Preparing to unpack .../libdb5.3_5.3.28-11_amd64.deb ... Unpacking libdb5.3:amd64 (5.3.28-11) over (5.3.28-9) ... Setting up libdb5.3:amd64 (5.3.28-11) ... Processing triggers for libc-bin (2.21-0ubuntu4) ... (Reading database ... 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Unpacking libldap-2.4-2:amd64 (2.4.41+dfsg-1ubuntu2) over (2.4.41+dfsg-1ubuntu1) ... Preparing to unpack .../libsemanage-common_2.3-1build2_all.deb ... Unpacking libsemanage-common (2.3-1build2) over (2.3-1build1) ... Setting up libsemanage-common (2.3-1build2) ... (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 ... 11782 files and directories currently installed.) Preparing to unpack .../libsemanage1_2.3-1build2_amd64.deb ... Unpacking libsemanage1:amd64 (2.3-1build2) over (2.3-1build1) ... Setting up libsemanage1:amd64 (2.3-1build2) ... Processing triggers for libc-bin (2.21-0ubuntu4) ... (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 ... 11782 files and directories currently installed.) Preparing to unpack .../libcurl3-gnutls_7.43.0-1ubuntu2_amd64.deb ... Unpacking libcurl3-gnutls:amd64 (7.43.0-1ubuntu2) over (7.43.0-1ubuntu1) ... Preparing to unpack .../apt-transport-https_1.0.10.2ubuntu1_amd64.deb ... Unpacking apt-transport-https (1.0.10.2ubuntu1) over (1.0.9.10ubuntu1) ... Preparing to unpack .../libdbus-1-3_1.10.0-1ubuntu1_amd64.deb ... Unpacking libdbus-1-3:amd64 (1.10.0-1ubuntu1) over (1.8.12-1ubuntu5) ... Preparing to unpack .../make_4.0-8.2_amd64.deb ... Unpacking make (4.0-8.2) over (4.0-8.1) ... Preparing to unpack .../dpkg-dev_1.18.2ubuntu4_all.deb ... Unpacking dpkg-dev (1.18.2ubuntu4) over (1.18.1ubuntu1) ... Preparing to unpack .../libdpkg-perl_1.18.2ubuntu4_all.deb ... Unpacking libdpkg-perl (1.18.2ubuntu4) over (1.18.1ubuntu1) ... Preparing to unpack .../build-essential_12.1ubuntu2_amd64.deb ... Unpacking build-essential (12.1ubuntu2) over (11.6ubuntu6) ... Preparing to unpack .../linux-libc-dev_4.2.0-14.16_amd64.deb ... Unpacking linux-libc-dev:amd64 (4.2.0-14.16) over (4.1.0-3.3) ... Preparing to unpack .../pkgbinarymangler_122_all.deb ... Unpacking pkgbinarymangler (122) over (121) ... Setting up libgomp1:amd64 (5.2.1-21ubuntu2) ... Setting up libitm1:amd64 (5.2.1-21ubuntu2) ... Setting up libatomic1:amd64 (5.2.1-21ubuntu2) ... Setting up libasan2:amd64 (5.2.1-21ubuntu2) ... Setting up liblsan0:amd64 (5.2.1-21ubuntu2) ... Setting up libtsan0:amd64 (5.2.1-21ubuntu2) ... Setting up libubsan0:amd64 (5.2.1-21ubuntu2) ... Setting up libcilkrts5:amd64 (5.2.1-21ubuntu2) ... Setting up libmpx0:amd64 (5.2.1-21ubuntu2) ... Setting up libquadmath0:amd64 (5.2.1-21ubuntu2) ... Setting up cpp-5 (5.2.1-21ubuntu2) ... Setting up libcc1-0:amd64 (5.2.1-21ubuntu2) ... Setting up binutils (2.25.1-5ubuntu1) ... Setting up libgcc-5-dev:amd64 (5.2.1-21ubuntu2) ... Setting up gcc-5 (5.2.1-21ubuntu2) ... Setting up libstdc++-5-dev:amd64 (5.2.1-21ubuntu2) ... Setting up g++-5 (5.2.1-21ubuntu2) ... Setting up apt (1.0.10.2ubuntu1) ... Setting up libgnutls-deb0-28:amd64 (3.3.15-5ubuntu2) ... Setting up libroken18-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) ... Setting up libasn1-8-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) ... Setting up libhcrypto4-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) ... Setting up libheimbase1-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) ... Setting up libwind0-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) ... Setting up libhx509-5-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) ... Setting up libkrb5-26-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) ... Setting up libheimntlm0-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) ... Setting up libgssapi3-heimdal:amd64 (1.6~rc2+dfsg-10ubuntu1) ... Setting up libsasl2-modules-db:amd64 (2.1.26.dfsg1-14) ... Setting up libsasl2-2:amd64 (2.1.26.dfsg1-14) ... Setting up libldap-2.4-2:amd64 (2.4.41+dfsg-1ubuntu2) ... Setting up libcurl3-gnutls:amd64 (7.43.0-1ubuntu2) ... Setting up apt-transport-https (1.0.10.2ubuntu1) ... Setting up libdbus-1-3:amd64 (1.10.0-1ubuntu1) ... Setting up make (4.0-8.2) ... Setting up libdpkg-perl (1.18.2ubuntu4) ... Setting up dpkg-dev (1.18.2ubuntu4) ... Setting up build-essential (12.1ubuntu2) ... Setting up linux-libc-dev:amd64 (4.2.0-14.16) ... Setting up pkgbinarymangler (122) ... Processing triggers for libc-bin (2.21-0ubuntu4) ... RUN: /usr/share/launchpad-buildd/slavebin/sbuild-package ['sbuild-package', 'PACKAGEBUILD-8092868', 'amd64', 'wily-proposed', '-c', 'chroot:autobuild', '--arch=amd64', '--dist=wily-proposed', '--purge=never', '--nolog', '-A', 'chemps2_1.6-1build1.dsc'] Initiating build PACKAGEBUILD-8092868 with 4 jobs across 4 processor cores. Kernel reported to sbuild: 3.19.0-30-generic #34~14.04.1-Ubuntu SMP Fri Oct 2 22:09:39 UTC 2015 x86_64 sbuild (Debian sbuild) 0.65.2 (24 Mar 2015) on lgw01-55.buildd ╔══════════════════════════════════════════════════════════════════════════════╗ ║ chemps2 1.6-1build1 (amd64) 06 Oct 2015 12:30 ║ ╚══════════════════════════════════════════════════════════════════════════════╝ Package: chemps2 Version: 1.6-1build1 Source Version: 1.6-1build1 Distribution: wily-proposed Machine Architecture: amd64 Host Architecture: amd64 Build Architecture: amd64 I: NOTICE: Log filtering will replace 'build/chemps2-GeHowq/chemps2-1.6' with '«PKGBUILDDIR»' I: NOTICE: Log filtering will replace 'build/chemps2-GeHowq' with '«BUILDDIR»' I: NOTICE: Log filtering will replace 'home/buildd/build-PACKAGEBUILD-8092868/chroot-autobuild' with '«CHROOT»' ┌──────────────────────────────────────────────────────────────────────────────┐ │ Fetch source files │ └──────────────────────────────────────────────────────────────────────────────┘ Local sources ───────────── chemps2_1.6-1build1.dsc exists in .; copying to chroot Check architectures ─────────────────── Check dependencies ────────────────── Merged Build-Depends: build-essential, fakeroot Filtered Build-Depends: build-essential, fakeroot dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/«BUILDDIR»/resolver-2h3cny/apt_archive/sbuild-build-depends-core-dummy.deb'. Ign file: ./ InRelease Ign file: ./ Release.gpg Get:1 file: ./ Release [2119 B] Ign file: ./ Translation-en Reading package lists... Reading package lists... ┌──────────────────────────────────────────────────────────────────────────────┐ │ Install core build dependencies (apt-based resolver) │ └──────────────────────────────────────────────────────────────────────────────┘ Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following package was automatically installed and is no longer required: libapt-pkg4.12 Use 'apt-get autoremove' to remove it. The following NEW packages will be installed: sbuild-build-depends-core-dummy 0 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. Need to get 0 B/770 B of archives. After this operation, 0 B of additional disk space will be used. WARNING: The following packages cannot be authenticated! sbuild-build-depends-core-dummy debconf: delaying package configuration, since apt-utils is not installed Authentication warning overridden. Selecting previously unselected package sbuild-build-depends-core-dummy. (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 ... 11785 files and directories currently installed.) Preparing to unpack .../sbuild-build-depends-core-dummy.deb ... Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ... Setting up sbuild-build-depends-core-dummy (0.invalid.0) ... Merged Build-Depends: base-files, base-passwd, bash, bsdutils, coreutils, dash, debianutils, diffutils, dpkg, e2fsprogs, findutils, grep, gzip, hostname, init, libc-bin, login, mount, ncurses-base, ncurses-bin, perl-base, sed, tar, util-linux, libc6-dev | libc-dev, gcc (>= 4:5.2), g++ (>= 4:5.2), make, dpkg-dev (>= 1.17.11), debhelper (>= 9), cmake (>= 2.8.11), libatlas-base-dev, libgsl0-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore Filtered Build-Depends: base-files, base-passwd, bash, bsdutils, coreutils, dash, debianutils, diffutils, dpkg, e2fsprogs, findutils, grep, gzip, hostname, init, libc-bin, login, mount, ncurses-base, ncurses-bin, perl-base, sed, tar, util-linux, libc6-dev | libc-dev, gcc (>= 4:5.2), g++ (>= 4:5.2), make, dpkg-dev (>= 1.17.11), debhelper (>= 9), cmake (>= 2.8.11), libatlas-base-dev, libgsl0-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore dpkg-deb: building package 'sbuild-build-depends-chemps2-dummy' in '/«BUILDDIR»/resolver-78Rh_o/apt_archive/sbuild-build-depends-chemps2-dummy.deb'. Ign file: ./ InRelease Ign file: ./ Release.gpg Get:1 file: ./ Release [2119 B] Ign file: ./ Translation-en Reading package lists... Reading package lists... ┌──────────────────────────────────────────────────────────────────────────────┐ │ Install chemps2 build dependencies (apt-based resolver) │ └──────────────────────────────────────────────────────────────────────────────┘ Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following package was automatically installed and is no longer required: libapt-pkg4.12 Use 'apt-get autoremove' to remove it. The following extra packages will be installed: bsdmainutils cmake cmake-data cython debhelper dh-python docutils-common file fonts-mathjax gettext gettext-base groff-base hdf5-helpers intltool-debian libarchive13 libasprintf0v5 libatlas-base-dev libatlas-dev libatlas3-base libblas-common libblas-dev libblas3 libcroco3 libcurl3 libexpat1 libexpat1-dev libgfortran3 libglib2.0-0 libgsl0-dev libgsl0ldbl libhdf5-10 libhdf5-cpp-10 libhdf5-dev libicu55 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp0v5 liblzo2-2 libmagic1 libmpdec2 libpipeline1 libpython-dev libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib libpython3-stdlib libpython3.4-minimal libpython3.4-stdlib libunistring0 libxml2 man-db mime-support po-debconf python python-all python-docutils python-jinja2 python-markupsafe python-minimal python-numpy python-pkg-resources python-pygments python-roman python-setuptools python-sphinx python2.7 python2.7-minimal python3 python3-minimal python3.4 python3.4-minimal sgml-base sphinx-common xml-core zlib1g-dev Suggested packages: wamerican wordlist whois vacation codeblocks eclipse ninja-build cython-doc dh-make gettext-doc groff lrzip libblas-doc liblapack-doc liblapack-dev liblapack3 gsl-ref-psdoc gsl-doc-pdf gsl-doc-info gsl-ref-html libhdf5-doc javascript-common fonts-mathjax-extras fonts-stix libjs-mathjax-doc less www-browser libmail-box-perl python-doc python-tk texlive-latex-recommended texlive-latex-base texlive-lang-french fonts-linuxlibertine ttf-linux-libertine python-jinja2-doc gfortran python-nose python-numpy-dbg python-numpy-doc ttf-bitstream-vera python-setuptools-doc dvipng texlive-latex-extra texlive-fonts-recommended python2.7-doc binfmt-support python3-doc python3-tk python3-venv python3.4-venv python3.4-doc sgml-base-doc Recommended packages: python-dev curl wget lynx-cur libasprintf-dev libgettextpo-dev libglib2.0-data shared-mime-info xdg-user-dirs libmail-sendmail-perl python-pil libpaper-utils docutils-doc python-chardet sphinx-doc The following NEW packages will be installed: bsdmainutils cmake cmake-data cython debhelper dh-python docutils-common file fonts-mathjax gettext gettext-base groff-base hdf5-helpers intltool-debian libarchive13 libasprintf0v5 libatlas-base-dev libatlas-dev libatlas3-base libblas-common libblas-dev libblas3 libcroco3 libcurl3 libexpat1 libexpat1-dev libgfortran3 libglib2.0-0 libgsl0-dev libgsl0ldbl libhdf5-10 libhdf5-cpp-10 libhdf5-dev libicu55 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp0v5 liblzo2-2 libmagic1 libmpdec2 libpipeline1 libpython-dev libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib libpython3-stdlib libpython3.4-minimal libpython3.4-stdlib libunistring0 libxml2 man-db mime-support po-debconf python python-all python-docutils python-jinja2 python-markupsafe python-minimal python-numpy python-pkg-resources python-pygments python-roman python-setuptools python-sphinx python2.7 python2.7-minimal python3 python3-minimal python3.4 python3.4-minimal sbuild-build-depends-chemps2-dummy sgml-base sphinx-common xml-core zlib1g-dev 0 upgraded, 85 newly installed, 0 to remove and 0 not upgraded. Need to get 82.7 MB/82.7 MB of archives. After this operation, 325 MB of additional disk space will be used. WARNING: The following packages cannot be authenticated! sbuild-build-depends-chemps2-dummy Authentication warning overridden. Get:1 http://ftpmaster.internal/ubuntu/ wily/main libmpdec2 amd64 2.4.1-1 [82.7 kB] Get:2 http://ftpmaster.internal/ubuntu/ wily/main libpython3.4-minimal amd64 3.4.3-9 [466 kB] Get:3 http://ftpmaster.internal/ubuntu/ wily/main libexpat1 amd64 2.1.0-7 [71.4 kB] Get:4 http://ftpmaster.internal/ubuntu/ wily/main python3.4-minimal amd64 3.4.3-9 [1484 kB] Get:5 http://ftpmaster.internal/ubuntu/ wily/main python3-minimal amd64 3.4.3-4ubuntu1 [23.5 kB] Get:6 http://ftpmaster.internal/ubuntu/ wily/main mime-support all 3.58ubuntu1 [31.6 kB] Get:7 http://ftpmaster.internal/ubuntu/ wily/main libpython3.4-stdlib amd64 3.4.3-9 [2127 kB] Get:8 http://ftpmaster.internal/ubuntu/ wily/main python3.4 amd64 3.4.3-9 [186 kB] Get:9 http://ftpmaster.internal/ubuntu/ wily/main libpython3-stdlib amd64 3.4.3-4ubuntu1 [7014 B] Get:10 http://ftpmaster.internal/ubuntu/ wily/main dh-python all 2.20150826ubuntu1 [69.3 kB] Get:11 http://ftpmaster.internal/ubuntu/ wily/main python3 amd64 3.4.3-4ubuntu1 [8810 B] Get:12 http://ftpmaster.internal/ubuntu/ wily/main libasprintf0v5 amd64 0.19.4-1ubuntu3 [6676 B] Get:13 http://ftpmaster.internal/ubuntu/ wily/main groff-base amd64 1.22.3-1 [1183 kB] Get:14 http://ftpmaster.internal/ubuntu/ wily/main bsdmainutils amd64 9.0.6ubuntu1 [175 kB] Get:15 http://ftpmaster.internal/ubuntu/ wily/main libpipeline1 amd64 1.4.1-1 [24.9 kB] Get:16 http://ftpmaster.internal/ubuntu/ wily/main man-db amd64 2.7.3-1 [859 kB] Get:17 http://ftpmaster.internal/ubuntu/ wily/main sgml-base all 1.26+nmu4ubuntu1 [12.5 kB] Get:18 http://ftpmaster.internal/ubuntu/ wily/main cmake-data all 3.2.2-2ubuntu3 [1029 kB] Get:19 http://ftpmaster.internal/ubuntu/ wily/main liblzo2-2 amd64 2.08-1.2 [48.7 kB] Get:20 http://ftpmaster.internal/ubuntu/ wily/main libicu55 amd64 55.1-4ubuntu1 [7652 kB] Get:21 http://ftpmaster.internal/ubuntu/ wily/main libxml2 amd64 2.9.2+zdfsg1-4 [692 kB] Get:22 http://ftpmaster.internal/ubuntu/ wily/main libarchive13 amd64 3.1.2-11build1 [263 kB] Get:23 http://ftpmaster.internal/ubuntu/ wily/main libcurl3 amd64 7.43.0-1ubuntu2 [186 kB] Get:24 http://ftpmaster.internal/ubuntu/ wily/main libjsoncpp0v5 amd64 0.10.5-1 [74.2 kB] Get:25 http://ftpmaster.internal/ubuntu/ wily/main cmake amd64 3.2.2-2ubuntu3 [2536 kB] Get:26 http://ftpmaster.internal/ubuntu/ wily/main libglib2.0-0 amd64 2.46.0-2 [1105 kB] Get:27 http://ftpmaster.internal/ubuntu/ wily/main libcroco3 amd64 0.6.8-3 [83.2 kB] Get:28 http://ftpmaster.internal/ubuntu/ wily/main libjpeg-turbo8 amd64 1.3.0-0ubuntu2 [104 kB] Get:29 http://ftpmaster.internal/ubuntu/ wily/main libunistring0 amd64 0.9.3-5.2ubuntu1 [279 kB] Get:30 http://ftpmaster.internal/ubuntu/ wily/main libpython2.7-minimal amd64 2.7.10-4 [337 kB] Get:31 http://ftpmaster.internal/ubuntu/ wily/main python2.7-minimal amd64 2.7.10-4 [1261 kB] Get:32 http://ftpmaster.internal/ubuntu/ wily/main python-minimal amd64 2.7.9-1 [28.2 kB] Get:33 http://ftpmaster.internal/ubuntu/ wily/main libpython2.7-stdlib amd64 2.7.10-4 [1794 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http://ftpmaster.internal/ubuntu/ wily/main debhelper all 9.20150811ubuntu2 [732 kB] Get:46 http://ftpmaster.internal/ubuntu/ wily/main docutils-common all 0.12+dfsg-1 [141 kB] Get:47 http://ftpmaster.internal/ubuntu/ wily/universe fonts-mathjax all 2.5.3-1 [959 kB] Get:48 http://ftpmaster.internal/ubuntu/ wily-proposed/universe hdf5-helpers amd64 1.8.15-patch1+docs-4 [12.7 kB] Get:49 http://ftpmaster.internal/ubuntu/ wily/main libgfortran3 amd64 5.2.1-21ubuntu2 [259 kB] Get:50 http://ftpmaster.internal/ubuntu/ wily/main libblas-common amd64 1.2.20110419-10 [3058 B] Get:51 http://ftpmaster.internal/ubuntu/ wily/universe libatlas3-base amd64 3.10.2-7 [2668 kB] Get:52 http://ftpmaster.internal/ubuntu/ wily/main libblas3 amd64 1.2.20110419-10 [161 kB] Get:53 http://ftpmaster.internal/ubuntu/ wily/main libblas-dev amd64 1.2.20110419-10 [156 kB] Get:54 http://ftpmaster.internal/ubuntu/ wily/universe libatlas-dev all 3.10.2-7 [22.6 kB] Get:55 http://ftpmaster.internal/ubuntu/ wily/universe libatlas-base-dev amd64 3.10.2-7 [3338 kB] Get:56 http://ftpmaster.internal/ubuntu/ wily/main libexpat1-dev amd64 2.1.0-7 [115 kB] Get:57 http://ftpmaster.internal/ubuntu/ wily/main libgsl0ldbl amd64 1.16+dfsg-4 [806 kB] Get:58 http://ftpmaster.internal/ubuntu/ wily/main libgsl0-dev amd64 1.16+dfsg-4 [918 kB] Get:59 http://ftpmaster.internal/ubuntu/ wily-proposed/universe libhdf5-10 amd64 1.8.15-patch1+docs-4 [1034 kB] Get:60 http://ftpmaster.internal/ubuntu/ wily-proposed/universe libhdf5-cpp-10 amd64 1.8.15-patch1+docs-4 [94.2 kB] Get:61 http://ftpmaster.internal/ubuntu/ wily/main zlib1g-dev amd64 1:1.2.8.dfsg-2ubuntu4 [168 kB] Get:62 http://ftpmaster.internal/ubuntu/ wily/main libjpeg-turbo8-dev amd64 1.3.0-0ubuntu2 [242 kB] Get:63 http://ftpmaster.internal/ubuntu/ wily/main libjpeg8 amd64 8c-2ubuntu8 [2194 B] Get:64 http://ftpmaster.internal/ubuntu/ wily/main libjpeg8-dev amd64 8c-2ubuntu8 [1552 B] Get:65 http://ftpmaster.internal/ubuntu/ wily/main libjpeg-dev amd64 8c-2ubuntu8 [1546 B] Get:66 http://ftpmaster.internal/ubuntu/ wily-proposed/universe libhdf5-dev amd64 1.8.15-patch1+docs-4 [5302 kB] Get:67 http://ftpmaster.internal/ubuntu/ wily/main libjs-jquery all 1.7.2+dfsg-3ubuntu2 [69.0 kB] Get:68 http://ftpmaster.internal/ubuntu/ wily/main libjs-underscore all 1.7.0~dfsg-1ubuntu1 [46.7 kB] Get:69 http://ftpmaster.internal/ubuntu/ wily/main libjs-sphinxdoc all 1.2.3+dfsg-1ubuntu3 [42.9 kB] Get:70 http://ftpmaster.internal/ubuntu/ wily/main libpython2.7 amd64 2.7.10-4 [1064 kB] Get:71 http://ftpmaster.internal/ubuntu/ wily/main libpython2.7-dev amd64 2.7.10-4 [27.8 MB] Get:72 http://ftpmaster.internal/ubuntu/ wily/main libpython-dev amd64 2.7.9-1 [7836 B] Get:73 http://ftpmaster.internal/ubuntu/ wily/main python-all amd64 2.7.9-1 [1030 B] Get:74 http://ftpmaster.internal/ubuntu/ wily/main python-roman all 2.0.0-1 [7758 B] Get:75 http://ftpmaster.internal/ubuntu/ wily/main python-docutils all 0.12+dfsg-1 [348 kB] Get:76 http://ftpmaster.internal/ubuntu/ wily/main python-markupsafe amd64 0.23-2build1 [15.7 kB] Get:77 http://ftpmaster.internal/ubuntu/ wily/main python-jinja2 all 2.8-1 [109 kB] Get:78 http://ftpmaster.internal/ubuntu/ wily/main python-numpy amd64 1:1.8.2-1ubuntu2 [1639 kB] Get:79 http://ftpmaster.internal/ubuntu/ wily/main python-pkg-resources all 18.3.1-2 [70.7 kB] Get:80 http://ftpmaster.internal/ubuntu/ wily/main python-pygments all 2.0.1+dfsg-1.1svn1 [469 kB] Get:81 http://ftpmaster.internal/ubuntu/ wily/main python-setuptools all 18.3.1-2 [171 kB] Get:82 http://ftpmaster.internal/ubuntu/ wily/main sphinx-common all 1.2.3+dfsg-1ubuntu3 [408 kB] Get:83 http://ftpmaster.internal/ubuntu/ wily/main python-sphinx all 1.2.3+dfsg-1ubuntu3 [274 kB] Get:84 http://ftpmaster.internal/ubuntu/ wily/universe libjs-mathjax all 2.5.3-1 [5486 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 82.7 MB in 7s (10.5 MB/s) Selecting previously unselected package libmpdec2:amd64. 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Preparing to unpack .../sbuild-build-depends-chemps2-dummy.deb ... Unpacking sbuild-build-depends-chemps2-dummy (0.invalid.0) ... Setting up libmpdec2:amd64 (2.4.1-1) ... Setting up mime-support (3.58ubuntu1) ... Setting up libpython3.4-stdlib:amd64 (3.4.3-9) ... Setting up python3.4 (3.4.3-9) ... Setting up libpython3-stdlib:amd64 (3.4.3-4ubuntu1) ... Setting up libasprintf0v5:amd64 (0.19.4-1ubuntu3) ... Setting up groff-base (1.22.3-1) ... Setting up bsdmainutils (9.0.6ubuntu1) ... update-alternatives: using /usr/bin/bsd-write to provide /usr/bin/write (write) in auto mode update-alternatives: using /usr/bin/bsd-from to provide /usr/bin/from (from) in auto mode Setting up libpipeline1:amd64 (1.4.1-1) ... Setting up man-db (2.7.3-1) ... Not building database; man-db/auto-update is not 'true'. Setting up sgml-base (1.26+nmu4ubuntu1) ... Setting up cmake-data (3.2.2-2ubuntu3) ... Setting up liblzo2-2:amd64 (2.08-1.2) ... Setting up libicu55:amd64 (55.1-4ubuntu1) ... Setting up libxml2:amd64 (2.9.2+zdfsg1-4) ... Setting up libarchive13:amd64 (3.1.2-11build1) ... Setting up libcurl3:amd64 (7.43.0-1ubuntu2) ... Setting up libjsoncpp0v5:amd64 (0.10.5-1) ... Setting up cmake (3.2.2-2ubuntu3) ... Setting up libglib2.0-0:amd64 (2.46.0-2) ... No schema files found: doing nothing. Setting up libcroco3:amd64 (0.6.8-3) ... Setting up libjpeg-turbo8:amd64 (1.3.0-0ubuntu2) ... Setting up libunistring0:amd64 (0.9.3-5.2ubuntu1) ... Setting up libpython2.7-stdlib:amd64 (2.7.10-4) ... Setting up python2.7 (2.7.10-4) ... Setting up libpython-stdlib:amd64 (2.7.9-1) ... Setting up python (2.7.9-1) ... Setting up libmagic1:amd64 (1:5.22+15-2ubuntu1) ... Setting up file (1:5.22+15-2ubuntu1) ... Setting up gettext-base (0.19.4-1ubuntu3) ... Setting up xml-core (0.13+nmu2) ... Setting up cython (0.23.3-0ubuntu1) ... Setting up gettext (0.19.4-1ubuntu3) ... Setting up intltool-debian (0.35.0+20060710.2) ... Setting up po-debconf (1.0.18) ... Setting up debhelper (9.20150811ubuntu2) ... Setting up fonts-mathjax (2.5.3-1) ... Setting up hdf5-helpers (1.8.15-patch1+docs-4) ... Setting up libgfortran3:amd64 (5.2.1-21ubuntu2) ... Setting up libblas-common (1.2.20110419-10) ... Setting up libatlas3-base (3.10.2-7) ... update-alternatives: using /usr/lib/atlas-base/atlas/libblas.so.3 to provide /usr/lib/libblas.so.3 (libblas.so.3) in auto mode update-alternatives: using /usr/lib/atlas-base/atlas/liblapack.so.3 to provide /usr/lib/liblapack.so.3 (liblapack.so.3) in auto mode Setting up libblas3 (1.2.20110419-10) ... Setting up libblas-dev (1.2.20110419-10) ... update-alternatives: using /usr/lib/libblas/libblas.so to provide /usr/lib/libblas.so (libblas.so) in auto mode Setting up libatlas-dev (3.10.2-7) ... Setting up libatlas-base-dev (3.10.2-7) ... update-alternatives: using /usr/lib/atlas-base/atlas/libblas.so to provide /usr/lib/libblas.so (libblas.so) in auto mode update-alternatives: using /usr/lib/atlas-base/atlas/liblapack.so to provide /usr/lib/liblapack.so (liblapack.so) in auto mode Setting up libexpat1-dev:amd64 (2.1.0-7) ... Setting up libgsl0ldbl:amd64 (1.16+dfsg-4) ... Setting up libgsl0-dev (1.16+dfsg-4) ... Setting up libhdf5-10:amd64 (1.8.15-patch1+docs-4) ... Setting up libhdf5-cpp-10:amd64 (1.8.15-patch1+docs-4) ... Setting up zlib1g-dev:amd64 (1:1.2.8.dfsg-2ubuntu4) ... Setting up libjpeg-turbo8-dev:amd64 (1.3.0-0ubuntu2) ... Setting up libjpeg8:amd64 (8c-2ubuntu8) ... Setting up libjpeg8-dev:amd64 (8c-2ubuntu8) ... Setting up libjpeg-dev:amd64 (8c-2ubuntu8) ... Setting up libhdf5-dev (1.8.15-patch1+docs-4) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up libjs-jquery (1.7.2+dfsg-3ubuntu2) ... Setting up libjs-underscore (1.7.0~dfsg-1ubuntu1) ... Setting up libjs-sphinxdoc (1.2.3+dfsg-1ubuntu3) ... Setting up libpython2.7:amd64 (2.7.10-4) ... Setting up libpython2.7-dev:amd64 (2.7.10-4) ... Setting up libpython-dev:amd64 (2.7.9-1) ... Setting up python-all (2.7.9-1) ... Setting up python-roman (2.0.0-1) ... Setting up python-markupsafe (0.23-2build1) ... Setting up python-jinja2 (2.8-1) ... Setting up python-numpy (1:1.8.2-1ubuntu2) ... Setting up python-pkg-resources (18.3.1-2) ... Setting up python-pygments (2.0.1+dfsg-1.1svn1) ... Setting up python-setuptools (18.3.1-2) ... Setting up sphinx-common (1.2.3+dfsg-1ubuntu3) ... Setting up libjs-mathjax (2.5.3-1) ... Processing triggers for sgml-base (1.26+nmu4ubuntu1) ... Setting up docutils-common (0.12+dfsg-1) ... Processing triggers for sgml-base (1.26+nmu4ubuntu1) ... Setting up python-docutils (0.12+dfsg-1) ... update-alternatives: using /usr/share/docutils/scripts/python2/rst-buildhtml to provide /usr/bin/rst-buildhtml (rst-buildhtml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2html to provide /usr/bin/rst2html (rst2html) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2latex to provide /usr/bin/rst2latex (rst2latex) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2man to provide /usr/bin/rst2man (rst2man) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2odt to provide /usr/bin/rst2odt (rst2odt) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2odt_prepstyles to provide /usr/bin/rst2odt_prepstyles (rst2odt_prepstyles) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2pseudoxml to provide /usr/bin/rst2pseudoxml (rst2pseudoxml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2s5 to provide /usr/bin/rst2s5 (rst2s5) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2xetex to provide /usr/bin/rst2xetex (rst2xetex) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2xml to provide /usr/bin/rst2xml (rst2xml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rstpep2html to provide /usr/bin/rstpep2html (rstpep2html) in auto mode Setting up python-sphinx (1.2.3+dfsg-1ubuntu3) ... Setting up dh-python (2.20150826ubuntu1) ... Setting up python3 (3.4.3-4ubuntu1) ... Setting up sbuild-build-depends-chemps2-dummy (0.invalid.0) ... Processing triggers for libc-bin (2.21-0ubuntu4) ... ┌──────────────────────────────────────────────────────────────────────────────┐ │ Build environment │ └──────────────────────────────────────────────────────────────────────────────┘ Kernel: Linux 3.19.0-30-generic amd64 (x86_64) Toolchain package versions: binutils_2.25.1-5ubuntu1 dpkg-dev_1.18.2ubuntu4 g++-5_5.2.1-21ubuntu2 gcc-5_5.2.1-21ubuntu2 libc6-dev_2.21-0ubuntu4 libstdc++-5-dev_5.2.1-21ubuntu2 libstdc++6_5.2.1-21ubuntu2 linux-libc-dev_4.2.0-14.16 Package versions: adduser_3.113+nmu3ubuntu4 advancecomp_1.19-1 apt_1.0.10.2ubuntu1 apt-transport-https_1.0.10.2ubuntu1 base-files_7.2ubuntu10 base-passwd_3.5.38 bash_4.3-14ubuntu1 binutils_2.25.1-5ubuntu1 bsdmainutils_9.0.6ubuntu1 bsdutils_1:2.26.2-6ubuntu3 build-essential_12.1ubuntu2 bzip2_1.0.6-8 ca-certificates_20150426ubuntu1 cmake_3.2.2-2ubuntu3 cmake-data_3.2.2-2ubuntu3 coreutils_8.23-3ubuntu1 cpp_4:5.2.1-3ubuntu1 cpp-5_5.2.1-21ubuntu2 cython_0.23.3-0ubuntu1 dash_0.5.7-4ubuntu2 debconf_1.5.57ubuntu1 debhelper_9.20150811ubuntu2 debianutils_4.5.1 dh-python_2.20150826ubuntu1 diffutils_1:3.3-1 dmsetup_2:1.02.99-1ubuntu1 docutils-common_0.12+dfsg-1 dpkg_1.18.2ubuntu4 dpkg-dev_1.18.2ubuntu4 e2fslibs_1.42.12-1ubuntu2 e2fsprogs_1.42.12-1ubuntu2 fakeroot_1.20.2-1ubuntu1 file_1:5.22+15-2ubuntu1 findutils_4.4.2-9build1 fonts-mathjax_2.5.3-1 g++_4:5.2.1-3ubuntu1 g++-5_5.2.1-21ubuntu2 gcc_4:5.2.1-3ubuntu1 gcc-5_5.2.1-21ubuntu2 gcc-5-base_5.2.1-21ubuntu2 gettext_0.19.4-1ubuntu3 gettext-base_0.19.4-1ubuntu3 gnupg_1.4.18-7ubuntu1 gpgv_1.4.18-7ubuntu1 grep_2.21-2 groff-base_1.22.3-1 gzip_1.6-4ubuntu1 hdf5-helpers_1.8.15-patch1+docs-4 hostname_3.15ubuntu2 init_1.23ubuntu3 initscripts_2.88dsf-59.2ubuntu1 insserv_1.14.0-5ubuntu3 intltool-debian_0.35.0+20060710.2 libacl1_2.2.52-2 libapparmor1_2.10-0ubuntu6 libapt-pkg4.12_1.0.9.10ubuntu1 libapt-pkg4.16_1.0.10.2ubuntu1 libarchive13_3.1.2-11build1 libasan2_5.2.1-21ubuntu2 libasn1-8-heimdal_1.6~rc2+dfsg-10ubuntu1 libasprintf0v5_0.19.4-1ubuntu3 libatlas-base-dev_3.10.2-7 libatlas-dev_3.10.2-7 libatlas3-base_3.10.2-7 libatomic1_5.2.1-21ubuntu2 libattr1_1:2.4.47-2 libaudit-common_1:2.4.2-1ubuntu1 libaudit1_1:2.4.2-1ubuntu1 libblas-common_1.2.20110419-10 libblas-dev_1.2.20110419-10 libblas3_1.2.20110419-10 libblkid1_2.26.2-6ubuntu3 libbz2-1.0_1.0.6-8 libc-bin_2.21-0ubuntu4 libc-dev-bin_2.21-0ubuntu4 libc6_2.21-0ubuntu4 libc6-dev_2.21-0ubuntu4 libcap2_1:2.24-9 libcap2-bin_1:2.24-9 libcc1-0_5.2.1-21ubuntu2 libcilkrts5_5.2.1-21ubuntu2 libcomerr2_1.42.12-1ubuntu2 libcroco3_0.6.8-3 libcryptsetup4_2:1.6.6-5ubuntu2 libcurl3_7.43.0-1ubuntu2 libcurl3-gnutls_7.43.0-1ubuntu2 libdb5.3_5.3.28-11 libdbus-1-3_1.10.0-1ubuntu1 libdebconfclient0_0.192ubuntu1 libdevmapper1.02.1_2:1.02.99-1ubuntu1 libdpkg-perl_1.18.2ubuntu4 libexpat1_2.1.0-7 libexpat1-dev_2.1.0-7 libfakeroot_1.20.2-1ubuntu1 libfdisk1_2.26.2-6ubuntu3 libffi6_3.2.1-3 libgcc-5-dev_5.2.1-21ubuntu2 libgcc1_1:5.2.1-21ubuntu2 libgcrypt20_1.6.3-2ubuntu1 libgdbm3_1.8.3-13.1 libgfortran3_5.2.1-21ubuntu2 libglib2.0-0_2.46.0-2 libgmp10_2:6.0.0+dfsg-7 libgnutls-deb0-28_3.3.15-5ubuntu2 libgomp1_5.2.1-21ubuntu2 libgpg-error0_1.19-2 libgsl0-dev_1.16+dfsg-4 libgsl0ldbl_1.16+dfsg-4 libgssapi-krb5-2_1.13.2+dfsg-2 libgssapi3-heimdal_1.6~rc2+dfsg-10ubuntu1 libhcrypto4-heimdal_1.6~rc2+dfsg-10ubuntu1 libhdf5-10_1.8.15-patch1+docs-4 libhdf5-cpp-10_1.8.15-patch1+docs-4 libhdf5-dev_1.8.15-patch1+docs-4 libheimbase1-heimdal_1.6~rc2+dfsg-10ubuntu1 libheimntlm0-heimdal_1.6~rc2+dfsg-10ubuntu1 libhogweed4_3.1.1-4 libhx509-5-heimdal_1.6~rc2+dfsg-10ubuntu1 libicu55_55.1-4ubuntu1 libidn11_1.28-1ubuntu2 libisl13_0.14-2 libitm1_5.2.1-21ubuntu2 libjpeg-dev_8c-2ubuntu8 libjpeg-turbo8_1.3.0-0ubuntu2 libjpeg-turbo8-dev_1.3.0-0ubuntu2 libjpeg8_8c-2ubuntu8 libjpeg8-dev_8c-2ubuntu8 libjs-jquery_1.7.2+dfsg-3ubuntu2 libjs-mathjax_2.5.3-1 libjs-sphinxdoc_1.2.3+dfsg-1ubuntu3 libjs-underscore_1.7.0~dfsg-1ubuntu1 libjsoncpp0v5_0.10.5-1 libk5crypto3_1.13.2+dfsg-2 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login_1:4.1.5.1-1.1ubuntu7 lsb-base_4.1+Debian11ubuntu8 make_4.0-8.2 man-db_2.7.3-1 mawk_1.3.3-17ubuntu2 mime-support_3.58ubuntu1 mount_2.26.2-6ubuntu3 multiarch-support_2.21-0ubuntu4 ncurses-base_5.9+20150516-2ubuntu1 ncurses-bin_5.9+20150516-2ubuntu1 openssl_1.0.2d-0ubuntu1 optipng_0.7.5-1 passwd_1:4.1.5.1-1.1ubuntu7 patch_2.7.5-1 perl_5.20.2-6 perl-base_5.20.2-6 perl-modules_5.20.2-6 pkg-create-dbgsym_0.69 pkgbinarymangler_122 po-debconf_1.0.18 policyrcd-script-zg2_0.1-2 procps_1:3.3.9-1ubuntu8 python_2.7.9-1 python-all_2.7.9-1 python-docutils_0.12+dfsg-1 python-jinja2_2.8-1 python-markupsafe_0.23-2build1 python-minimal_2.7.9-1 python-numpy_1:1.8.2-1ubuntu2 python-pkg-resources_18.3.1-2 python-pygments_2.0.1+dfsg-1.1svn1 python-roman_2.0.0-1 python-setuptools_18.3.1-2 python-sphinx_1.2.3+dfsg-1ubuntu3 python2.7_2.7.10-4 python2.7-minimal_2.7.10-4 python3_3.4.3-4ubuntu1 python3-minimal_3.4.3-4ubuntu1 python3.4_3.4.3-9 python3.4-minimal_3.4.3-9 readline-common_6.3-8ubuntu1 sbuild-build-depends-chemps2-dummy_0.invalid.0 sbuild-build-depends-core-dummy_0.invalid.0 sed_4.2.2-6.1 sensible-utils_0.0.9 sgml-base_1.26+nmu4ubuntu1 sphinx-common_1.2.3+dfsg-1ubuntu3 systemd_225-1ubuntu7 systemd-sysv_225-1ubuntu7 sysv-rc_2.88dsf-59.2ubuntu1 sysvinit-utils_2.88dsf-59.2ubuntu1 tar_1.27.1-2 tzdata_2015f-1 ubuntu-keyring_2012.05.19 udev_225-1ubuntu7 util-linux_2.26.2-6ubuntu3 xml-core_0.13+nmu2 xz-utils_5.1.1alpha+20120614-2ubuntu2 zlib1g_1:1.2.8.dfsg-2ubuntu4 zlib1g-dev_1:1.2.8.dfsg-2ubuntu4 ┌──────────────────────────────────────────────────────────────────────────────┐ │ Build │ └──────────────────────────────────────────────────────────────────────────────┘ Unpack source ───────────── gpgv: Signature made Tue Oct 6 12:27:00 2015 UTC using RSA key ID 778FA6F5 gpgv: Can't check signature: public key not found dpkg-source: warning: failed to verify signature on ./chemps2_1.6-1build1.dsc dpkg-source: info: extracting chemps2 in chemps2-1.6 dpkg-source: info: unpacking chemps2_1.6.orig.tar.gz dpkg-source: info: unpacking chemps2_1.6-1build1.debian.tar.xz Check disc space ──────────────── Sufficient free space for build User Environment ──────────────── DEB_BUILD_OPTIONS=parallel=4 HOME=/home/buildd LANG=C LOGNAME=buildd MAIL=/var/mail/buildd OLDPWD=/ PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games PWD=/«PKGBUILDDIR» SHELL=/bin/sh SUDO_COMMAND=/usr/sbin/chroot /«CHROOT» su buildd -s /bin/sh -c cd '/«PKGBUILDDIR»' && 'env' SUDO_GID=2501 SUDO_UID=2001 SUDO_USER=buildd TERM=unknown USER=buildd USERNAME=root dpkg-buildpackage ───────────────── dpkg-buildpackage: source package chemps2 dpkg-buildpackage: source version 1.6-1build1 dpkg-buildpackage: source distribution wily dpkg-source --before-build chemps2-1.6 dpkg-buildpackage: host architecture amd64 fakeroot debian/rules clean dh clean --with python2 dh_testdir dh_auto_clean debian/rules override_dh_clean make[1]: Entering directory '/«PKGBUILDDIR»' dh_clean rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc make[1]: Leaving directory '/«PKGBUILDDIR»' debian/rules build dh build --with python2 dh_testdir debian/rules override_dh_auto_configure make[1]: Entering directory '/«PKGBUILDDIR»' dh_auto_configure -- -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu \ -DENABLE_XHOST=OFF \ -DBUILD_SPHINX=ON \ -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial cmake .. -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu -DENABLE_XHOST=OFF -DBUILD_SPHINX=ON -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial -- The C compiler identification is GNU 5.2.1 -- The CXX compiler identification is GNU 5.2.1 -- Check for working C compiler: /usr/bin/x86_64-linux-gnu-gcc -- Check for working C compiler: /usr/bin/x86_64-linux-gnu-gcc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Detecting C compile features -- Detecting C compile features - done -- Check for working CXX compiler: /usr/bin/x86_64-linux-gnu-g++ -- Check for working CXX compiler: /usr/bin/x86_64-linux-gnu-g++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Detecting CXX compile features -- Detecting CXX compile features - done -- Try OpenMP C flag = [-fopenmp] -- Performing Test OpenMP_FLAG_DETECTED -- Performing Test OpenMP_FLAG_DETECTED - Success -- Try OpenMP CXX flag = [-fopenmp] -- Performing Test OpenMP_FLAG_DETECTED -- Performing Test OpenMP_FLAG_DETECTED - Success -- Found OpenMP: -fopenmp -- Performing Test HAS_IPO -- Performing Test HAS_IPO - Failed -- Performing Test HAS_FLTO -- Performing Test HAS_FLTO - Success -- Looking for dgemm_ -- Looking for dgemm_ - found -- Looking for include file pthread.h -- Looking for include file pthread.h - found -- Looking for pthread_create -- Looking for pthread_create - found -- Found Threads: TRUE -- A library with BLAS API found. -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libm.so GSL_DEFINITIONS= GSL_INCLUDE_DIRS=/usr/include GSL_CFLAGS=-I/usr/include -- Using GSL from -- FindGSL: Found both GSL headers and library -- Found Sphinx: /usr/bin/sphinx-build -- Configuring done -- Generating done -- Build files have been written to: /«PKGBUILDDIR»/obj-x86_64-linux-gnu make[1]: Leaving directory '/«PKGBUILDDIR»' debian/rules override_dh_auto_build make[1]: Entering directory '/«PKGBUILDDIR»' dh_auto_build make -j1 make[2]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[3]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target chemps2-base make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o [ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o [ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o [ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o [ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o [ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o [ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o [ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o [ 12%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o [ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o [ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o [ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o [ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o [ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o [ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o [ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFVmatRotations.cpp.o [ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o [ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o [ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o [ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o [ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o [ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o [ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o [ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o [ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o [ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o [ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o [ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o [ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o [ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o [ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o [ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o [ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o [ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o [ 49%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o [ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorA.cpp.o [ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorB.cpp.o [ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorC.cpp.o [ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorD.cpp.o [ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorDiag.cpp.o [ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0Cbase.cpp.o [ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o [ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o [ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1Dbase.cpp.o [ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o [ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorK.cpp.o [ 66%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o [ 67%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorM.cpp.o [ 69%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o [ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o [ 71%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0Abase.cpp.o [ 73%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o [ 74%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1Bbase.cpp.o [ 76%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o [ 77%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorSwap.cpp.o [ 78%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o [ 80%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o [ 81%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o [ 83%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDMstorage.cpp.o [ 84%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-base make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target chemps2-shared make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Linking CXX shared library libchemps2.so make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-shared make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target chemps2-static make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Linking CXX static library libchemps2.a /usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCF.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/Correlations.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/Davidson.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/DIIS.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRG.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object /usr/bin/ar: 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/usr/bin/ranlib: TensorS0Abase.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorS0.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorS1Bbase.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorS1.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorSwap.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorT.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorX.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TwoDM.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TwoDMstorage.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TwoIndex.cpp.o: plugin needed to handle lto object make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-static make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target chemps2bin make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory 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CXX executable test8 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 98%] Built target test8 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target test9 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [100%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o Linking CXX executable test9 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [100%] Built target test9 make[3]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[2]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' # https://wiki.debian.org/Python/LibraryStyleGuide: info on sphinx-build PYTHONPATH=. http_proxy='127.0.0.1:9' sphinx-build -N -b html \ -c obj-x86_64-linux-gnu/sphinx/ \ -D html_theme=default \ -D mathjax_path="/usr/share/javascript/mathjax/MathJax.js" sphinx/ build-sphinx/html Making output directory... Running Sphinx v1.2.3 loading pickled environment... not yet created building [html]: targets for 11 source files that are out of date updating environment: 11 added, 0 changed, 0 removed reading sources... [ 9%] dmrgscf reading sources... [ 18%] dmrgscfcalcs reading sources... [ 27%] index reading sources... [ 36%] inoutput reading sources... [ 45%] interfaces reading sources... [ 54%] matrixelements reading sources... [ 63%] method reading sources... [ 72%] publications reading sources... [ 81%] resources reading sources... [ 90%] sourcecode reading sources... [100%] symmetry looking for now-outdated files... none found pickling environment... done checking consistency... done preparing documents... done writing output... [ 9%] dmrgscf writing output... [ 18%] dmrgscfcalcs writing output... [ 27%] index writing output... [ 36%] inoutput writing output... [ 45%] interfaces writing output... [ 54%] matrixelements writing output... [ 63%] method writing output... [ 72%] publications writing output... [ 81%] resources writing output... [ 90%] sourcecode writing output... [100%] symmetry writing additional files... (0 module code pages) genindex search copying images... [ 33%] ComparisonN2.png copying images... [ 66%] Comparison.png copying images... [100%] ExtrapolationN2reorder.png copying static files... done copying extra files... done dumping search index... done dumping object inventory... done build succeeded. # I know it's ugly, but sphinx splits strings at equality signs: http://svn.python.org/projects/doctools/trunk/sphinx/cmdline.py cd build-sphinx/html && sed -i "s/MathJax.js/MathJax.js?config=TeX-AMS-MML_HTMLorMML/" *.html # Solving the complaints from lintian about jquery.js & underscore.js cd build-sphinx/html && sed -i "s/_static\/jquery.js/\/usr\/share\/javascript\/jquery\/jquery.js/" *.html cd build-sphinx/html && sed -i "s/_static\/underscore.js/\/usr\/share\/javascript\/underscore\/underscore.js/" *.html cd build-sphinx/html/_static && rm jquery*.js underscore*.js cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py build_ext -L ../obj-x86_64-linux-gnu/CheMPS2 running build_ext cythoning PyCheMPS2.pyx to PyCheMPS2.cpp building 'PyCheMPS2' extension creating build creating build/temp.linux-x86_64-2.7 x86_64-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fstack-protector-strong -Wformat -Werror=format-security -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python2.7/dist-packages/numpy/core/include -I/usr/include/python2.7 -c PyCheMPS2.cpp -o build/temp.linux-x86_64-2.7/PyCheMPS2.o cc1plus: warning: command line option '-Wstrict-prototypes' is valid for C/ObjC but not for C++ In file included from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1761:0, from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarrayobject.h:17, from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from PyCheMPS2.cpp:251: /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: #warning "Using deprecated NumPy API, disable it by " "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by " \ ^ In file included from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ufuncobject.h:327:0, from PyCheMPS2.cpp:252: /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/__ufunc_api.h:241:1: warning: 'int _import_umath()' defined but not used [-Wunused-function] _import_umath(void) ^ creating build/lib.linux-x86_64-2.7 c++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -D_FORTIFY_SOURCE=2 -g -fstack-protector-strong -Wformat -Werror=format-security -Wl,-Bsymbolic-functions -Wl,-z,relro -g -O2 -fstack-protector-strong -Wformat -Werror=format-security -D_FORTIFY_SOURCE=2 build/temp.linux-x86_64-2.7/PyCheMPS2.o -L../obj-x86_64-linux-gnu/CheMPS2 -lchemps2 -o build/lib.linux-x86_64-2.7/PyCheMPS2.so make[1]: Leaving directory '/«PKGBUILDDIR»' debian/rules override_dh_auto_test make[1]: Entering directory '/«PKGBUILDDIR»' cd obj-x86_64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /«PKGBUILDDIR»/obj-x86_64-linux-gnu Start 3: test3 1/3 Test #3: test3 ............................ Passed 2.45 sec Start 5: test5 2/3 Test #5: test5 ............................ Passed 5.31 sec Start 8: test8 3/3 Test #8: test8 ............................ Passed 2.51 sec 100% tests passed, 0 tests failed out of 3 Total Test time (real) = 10.27 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-2.7:.. \ LD_LIBRARY_PATH=../../obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial \ python2 test1.py FCI::Startup : Number of variables in the FCI vector = 1824 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.466944 MB memory. FCI::HamTimesVec : Wall time = 0.006745 seconds FCI::HamTimesVec : Wall time = 0.005645 seconds FCI::HamTimesVec : Wall time = 0.005545 seconds FCI::HamTimesVec : Wall time = 0.006428 seconds FCI::HamTimesVec : Wall time = 0.00523 seconds FCI::HamTimesVec : Wall time = 0.005835 seconds FCI::HamTimesVec : Wall time = 0.005335 seconds FCI::HamTimesVec : Wall time = 0.005766 seconds FCI::HamTimesVec : Wall time = 0.005224 seconds FCI::HamTimesVec : Wall time = 0.006774 seconds FCI::HamTimesVec : Wall time = 0.006913 seconds FCI::HamTimesVec : Wall time = 0.007031 seconds FCI::HamTimesVec : Wall time = 0.007047 seconds FCI::HamTimesVec : Wall time = 0.006286 seconds FCI::HamTimesVec : Wall time = 0.007247 seconds FCI::HamTimesVec : Wall time = 0.006497 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -3.98618145257553e-18 and intended S(S+1) = 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 10 Energy at sites (8, 9) is -97.6731846520888 Stats: nIt(DAVIDSON) = 12 Energy at sites (7, 8) is -106.852201242188 Stats: nIt(DAVIDSON) = 50 Energy at sites (6, 7) is -106.877633398061 Stats: nIt(DAVIDSON) = 45 Energy at sites (5, 6) is -106.907816375332 Stats: nIt(DAVIDSON) = 42 Energy at sites (4, 5) is -107.633064311815 Stats: nIt(DAVIDSON) = 27 Energy at sites (3, 4) is -107.648013060456 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648013060456 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648013060456 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 1.582791 seconds *** |--> S.join = 0.00353 seconds *** |--> S.solve = 1.505696 seconds *** |--> S.split = 0.002929 seconds *** |--> Tensor update = 0.06596 seconds *** |--> create = 0.017579 seconds *** |--> destroy = 0.000965 seconds *** |--> disk write = 0.01563 seconds *** |--> disk read = 0.009233 seconds *** |--> calc = 0.02249 seconds *** Disk write bandwidth = 37.4894682139215 MB/s *** Disk read bandwidth = 63.678547683496 MB/s *** Minimum energy = -107.648013060456 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648013060456 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648013060456 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648013060456 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648013060456 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.648049170139 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250540928 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250540928 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250540928 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.599054 seconds *** |--> S.join = 0.004754 seconds *** |--> S.solve = 0.229036 seconds *** |--> S.split = 0.002878 seconds *** |--> Tensor update = 0.359744 seconds *** |--> create = 0.022693 seconds *** |--> destroy = 0.001316 seconds *** |--> disk write = 0.308481 seconds *** |--> disk read = 0.007533 seconds *** |--> calc = 0.01966 seconds *** Disk write bandwidth = 1.90593271793634 MB/s *** Disk read bandwidth = 77.7857942630551 MB/s *** Minimum energy = -107.648250540928 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.648250540928 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.648250540928 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250540928 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250540928 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250540928 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.648250854868 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.648250972222 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250972222 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250972222 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.164709 seconds *** |--> S.join = 0.006502 seconds *** |--> S.solve = 0.100193 seconds *** |--> S.split = 0.002981 seconds *** |--> Tensor update = 0.052847 seconds *** |--> create = 0.016418 seconds *** |--> destroy = 0.001068 seconds *** |--> disk write = 0.011359 seconds *** |--> disk read = 0.006422 seconds *** |--> calc = 0.01752 seconds *** Disk write bandwidth = 51.5855610690724 MB/s *** Disk read bandwidth = 91.5515463658858 MB/s *** Minimum energy = -107.648250972222 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250972222 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250972222 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250972222 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250972222 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.648250972371 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250973995 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.148186 seconds *** |--> S.join = 0.001085 seconds *** |--> S.solve = 0.077843 seconds *** |--> S.split = 0.003275 seconds *** |--> Tensor update = 0.063269 seconds *** |--> create = 0.019713 seconds *** |--> destroy = 0.001451 seconds *** |--> disk write = 0.01555 seconds *** |--> disk read = 0.006568 seconds *** |--> calc = 0.0199170000000001 seconds *** Disk write bandwidth = 37.8099055152231 MB/s *** Disk read bandwidth = 89.2144318184522 MB/s *** Minimum energy = -107.648250973995 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 4.33067327776371e-07 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250973995 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.115931 seconds *** |--> S.join = 0.001754 seconds *** |--> S.solve = 0.04642 seconds *** |--> S.split = 0.004108 seconds *** |--> Tensor update = 0.062642 seconds *** |--> create = 0.017962 seconds *** |--> destroy = 0.001407 seconds *** |--> disk write = 0.01573 seconds *** |--> disk read = 0.006518 seconds *** |--> calc = 0.020972 seconds *** Disk write bandwidth = 37.2511372017542 MB/s *** Disk read bandwidth = 90.2031345139182 MB/s *** Minimum energy = -107.648250973996 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250973995 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.116715 seconds *** |--> S.join = 0.004493 seconds *** |--> S.solve = 0.048381 seconds *** |--> S.split = 0.003368 seconds *** |--> Tensor update = 0.059431 seconds *** |--> create = 0.017758 seconds *** |--> destroy = 0.000994 seconds *** |--> disk write = 0.013472 seconds *** |--> disk read = 0.006435 seconds *** |--> calc = 0.020718 seconds *** Disk write bandwidth = 43.6419262738806 MB/s *** Disk read bandwidth = 91.0583353820658 MB/s *** Minimum energy = -107.648250973996 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.4210854715202e-13 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -107.648250973996 *** Minimum energy encountered during the last sweep = -107.648250973996 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -107.648250973995 and as Econst + 0.5*trace(2DM-A*Ham) = -107.648250973996 NOON of irrep Ag = [ 1.99999530431251 , 1.99487989664706 , 1.98267954421771 ]. NOON of irrep B2g = [ 0.0748717251298722 ]. NOON of irrep B3g = [ 0.0748717346843906 ]. NOON of irrep B1u = [ 1.9999968183813 , 1.98658238107192 , 0.0188078954488755 ]. NOON of irrep B2u = [ 1.93365736813972 ]. NOON of irrep B3u = [ 1.93365733196664 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131010166171159 , 0.0515868424070018 , 0.0764970847562349 , 0.257717265015048 , 0.257717291199588 , 8.47156061274274e-05 , 0.0462801975142357 , 0.100736000321923 , 0.241506301156167 , 0.241506363683554 ]. Idistance(0) = 1.3093955934681 Idistance(1) = 5.42403632228459 Idistance(2) = 26.735575289976 ************************************** RMS difference FCI and DMRG determinant coefficients = 2.27408112492e-06 Info on DMRG::operators rm call to system: 0 FCI::Startup : Number of variables in the FCI vector = 1160 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.29696 MB memory. FCI::HamTimesVec : Wall time = 0.005076 seconds FCI::HamTimesVec : Wall time = 0.00437 seconds FCI::HamTimesVec : Wall time = 0.005088 seconds FCI::HamTimesVec : Wall time = 0.004537 seconds FCI::HamTimesVec : Wall time = 0.004272 seconds FCI::HamTimesVec : Wall time = 0.00482 seconds FCI::HamTimesVec : Wall time = 0.004344 seconds FCI::HamTimesVec : Wall time = 0.004851 seconds FCI::HamTimesVec : Wall time = 0.004793 seconds FCI::HamTimesVec : Wall time = 0.004307 seconds FCI::HamTimesVec : Wall time = 0.005683 seconds FCI::HamTimesVec : Wall time = 0.004487 seconds FCI::HamTimesVec : Wall time = 0.004701 seconds FCI::HamTimesVec : Wall time = 0.0039 seconds FCI::HamTimesVec : Wall time = 0.003755 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898032 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 11 Energy at sites (8, 9) is -103.87898448536 Stats: nIt(DAVIDSON) = 41 Energy at sites (7, 8) is -106.329920475781 Stats: nIt(DAVIDSON) = 45 Energy at sites (6, 7) is -106.407434670008 Stats: nIt(DAVIDSON) = 60 Energy at sites (5, 6) is -107.31810976574 Stats: nIt(DAVIDSON) = 48 Energy at sites (4, 5) is -107.325739668142 Stats: nIt(DAVIDSON) = 27 Energy at sites (3, 4) is -107.328762574939 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.328764288211 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764288211 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 2.898097 seconds *** |--> S.join = 0.002988 seconds *** |--> S.solve = 2.815157 seconds *** |--> S.split = 0.003182 seconds *** |--> Tensor update = 0.073387 seconds *** |--> create = 0.020205 seconds *** |--> destroy = 0.001152 seconds *** |--> disk write = 0.015033 seconds *** |--> disk read = 0.009067 seconds *** |--> calc = 0.027865 seconds *** Disk write bandwidth = 56.1980805314246 MB/s *** Disk read bandwidth = 92.7761974442001 MB/s *** Minimum energy = -107.328764288211 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328764288211 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764288211 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328764288211 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.328764290534 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328766602485 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.328768890355 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768890355 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768890355 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.402482 seconds *** |--> S.join = 0.002256 seconds *** |--> S.solve = 0.314817 seconds *** |--> S.split = 0.003266 seconds *** |--> Tensor update = 0.079405 seconds *** |--> create = 0.022984 seconds *** |--> destroy = 0.001055 seconds *** |--> disk write = 0.015368 seconds *** |--> disk read = 0.008611 seconds *** |--> calc = 0.031079 seconds *** Disk write bandwidth = 54.7372320553463 MB/s *** Disk read bandwidth = 98.1100620867386 MB/s *** Minimum energy = -107.328768890355 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.328768890355 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.328768890355 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768890355 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768890355 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768890355 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.32876889094 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.32876889799 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.32876889799 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.32876889799 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.405247 seconds *** |--> S.join = 0.020129 seconds *** |--> S.solve = 0.122626 seconds *** |--> S.split = 0.004468 seconds *** |--> Tensor update = 0.256288 seconds *** |--> create = 0.018968 seconds *** |--> destroy = 0.00419 seconds *** |--> disk write = 0.188926 seconds *** |--> disk read = 0.008635 seconds *** |--> calc = 0.035495 seconds *** Disk write bandwidth = 4.471728320236 MB/s *** Disk read bandwidth = 97.4176933672915 MB/s *** Minimum energy = -107.32876889799 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.32876889799 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.32876889799 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.32876889799 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.32876889799 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898021 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.183231 seconds *** |--> S.join = 0.005098 seconds *** |--> S.solve = 0.087358 seconds *** |--> S.split = 0.005539 seconds *** |--> Tensor update = 0.082161 seconds *** |--> create = 0.021025 seconds *** |--> destroy = 0.002181 seconds *** |--> disk write = 0.017204 seconds *** |--> disk read = 0.011724 seconds *** |--> calc = 0.029963 seconds *** Disk write bandwidth = 48.8957092668311 MB/s *** Disk read bandwidth = 72.0595142126327 MB/s *** Minimum energy = -107.328768898021 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 7.665931889278e-09 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898021 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.180686 seconds *** |--> S.join = 0.001995 seconds *** |--> S.solve = 0.081866 seconds *** |--> S.split = 0.004486 seconds *** |--> Tensor update = 0.089035 seconds *** |--> create = 0.021689 seconds *** |--> destroy = 0.002775 seconds *** |--> disk write = 0.020469 seconds *** |--> disk read = 0.009429 seconds *** |--> calc = 0.034596 seconds *** Disk write bandwidth = 41.2734254056821 MB/s *** Disk read bandwidth = 89.2143156460455 MB/s *** Minimum energy = -107.328768898021 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898021 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898021 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.18463 seconds *** |--> S.join = 0.001631 seconds *** |--> S.solve = 0.078002 seconds *** |--> S.split = 0.004704 seconds *** |--> Tensor update = 0.097922 seconds *** |--> create = 0.027016 seconds *** |--> destroy = 0.001663 seconds *** |--> disk write = 0.021292 seconds *** |--> disk read = 0.013832 seconds *** |--> calc = 0.034037 seconds *** Disk write bandwidth = 39.5078800594854 MB/s *** Disk read bandwidth = 61.0776275758319 MB/s *** Minimum energy = -107.328768898021 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 0 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -107.328768898021 *** Minimum energy encountered during the last sweep = -107.328768898021 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -107.328768898021 and as Econst + 0.5*trace(2DM-A*Ham) = -107.328768898021 NOON of irrep Ag = [ 1.99999672240566 , 1.99571459428716 , 1.98497374967299 ]. NOON of irrep B2g = [ 0.538992893643401 ]. NOON of irrep B3g = [ 0.538986951313386 ]. NOON of irrep B1u = [ 1.99999702949779 , 1.99149912982661 , 0.0194690528335128 ]. NOON of irrep B2u = [ 1.46518797363382 ]. NOON of irrep B3u = [ 1.46518190288569 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862364318486 , 0.0587089819659695 , 0.0554793357760612 , 1.11957820174712 , 1.11957445210666 , 8.52798161900756e-05 , 0.0421711562613864 , 0.105000285564911 , 1.11261815183019 , 1.11262214027855 ]. Idistance(0) = 4.60188071621414 Idistance(1) = 17.7825033278684 Idistance(2) = 85.6947987430903 ************************************** RMS difference FCI and DMRG determinant coefficients = 3.81897999449e-06 Info on DMRG::operators rm call to system: 0 FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.070656 MB memory. FCI::HamTimesVec : Wall time = 0.001309 seconds FCI::HamTimesVec : Wall time = 0.001298 seconds FCI::HamTimesVec : Wall time = 0.001242 seconds FCI::HamTimesVec : Wall time = 0.001271 seconds FCI::HamTimesVec : Wall time = 0.002041 seconds FCI::HamTimesVec : Wall time = 0.001249 seconds FCI::HamTimesVec : Wall time = 0.001788 seconds FCI::HamTimesVec : Wall time = 0.001267 seconds FCI::HamTimesVec : Wall time = 0.001259 seconds FCI::HamTimesVec : Wall time = 0.001267 seconds FCI::HamTimesVec : Wall time = 0.001549 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599439 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 5.99999999999999 and intended S(S+1) = 6 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 13 Energy at sites (8, 9) is -101.931956592281 Stats: nIt(DAVIDSON) = 19 Energy at sites (7, 8) is -105.669758049627 Stats: nIt(DAVIDSON) = 30 Energy at sites (6, 7) is -106.994628119378 Stats: nIt(DAVIDSON) = 19 Energy at sites (5, 6) is -106.99631056114 Stats: nIt(DAVIDSON) = 20 Energy at sites (4, 5) is -106.99716485574 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -106.999105072746 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.007886382055 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007886382055 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.708577 seconds *** |--> S.join = 0.001106 seconds *** |--> S.solve = 0.647531 seconds *** |--> S.split = 0.002386 seconds *** |--> Tensor update = 0.054734 seconds *** |--> create = 0.018489 seconds *** |--> destroy = 0.001537 seconds *** |--> disk write = 0.013787 seconds *** |--> disk read = 0.006731 seconds *** |--> calc = 0.014112 seconds *** Disk write bandwidth = 14.164764765098 MB/s *** Disk read bandwidth = 28.8525089575054 MB/s *** Minimum energy = -107.007886382055 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007886382055 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007886382055 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007886382055 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.007886986721 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.007890132935 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.007920305946 Stats: nIt(DAVIDSON) = 4 Energy at sites (6, 7) is -107.00792031104 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.00792031104 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.264654 seconds *** |--> S.join = 0.004282 seconds *** |--> S.solve = 0.197552 seconds *** |--> S.split = 0.002278 seconds *** |--> Tensor update = 0.056999 seconds *** |--> create = 0.018664 seconds *** |--> destroy = 0.001667 seconds *** |--> disk write = 0.013666 seconds *** |--> disk read = 0.007714 seconds *** |--> calc = 0.015221 seconds *** Disk write bandwidth = 14.2109057363507 MB/s *** Disk read bandwidth = 25.3162576894486 MB/s *** Minimum energy = -107.00792031104 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.00792031104 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.00792031104 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.00792031104 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.00792031104 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.00792031104 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.007920318232 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.007920345491 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.007920595705 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920595705 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.19008 seconds *** |--> S.join = 0.00971 seconds *** |--> S.solve = 0.109514 seconds *** |--> S.split = 0.003322 seconds *** |--> Tensor update = 0.064942 seconds *** |--> create = 0.017795 seconds *** |--> destroy = 0.001541 seconds *** |--> disk write = 0.015244 seconds *** |--> disk read = 0.009989 seconds *** |--> calc = 0.02031 seconds *** Disk write bandwidth = 12.8109165452904 MB/s *** Disk read bandwidth = 19.4420099902862 MB/s *** Minimum energy = -107.007920595705 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920595705 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920595705 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920595705 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.007920595852 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.007920595872 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.007920599366 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599366 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599366 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.139152 seconds *** |--> S.join = 0.002417 seconds *** |--> S.solve = 0.065415 seconds *** |--> S.split = 0.002252 seconds *** |--> Tensor update = 0.066602 seconds *** |--> create = 0.019129 seconds *** |--> destroy = 0.001819 seconds *** |--> disk write = 0.01546 seconds *** |--> disk read = 0.006587 seconds *** |--> calc = 0.023528 seconds *** Disk write bandwidth = 12.5618523798816 MB/s *** Disk read bandwidth = 29.6477321719153 MB/s *** Minimum energy = -107.007920599366 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.88325821884428e-07 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.007920599366 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599366 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599366 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.007920599366 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.007920599366 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.007920599366 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599424 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.098983 seconds *** |--> S.join = 0.002068 seconds *** |--> S.solve = 0.04021 seconds *** |--> S.split = 0.002535 seconds *** |--> Tensor update = 0.051921 seconds *** |--> create = 0.013209 seconds *** |--> destroy = 0.00144 seconds *** |--> disk write = 0.011867 seconds *** |--> disk read = 0.008647 seconds *** |--> calc = 0.016456 seconds *** Disk write bandwidth = 16.4565274978012 MB/s *** Disk read bandwidth = 22.4593775636601 MB/s *** Minimum energy = -107.007920599424 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599424 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.092342 seconds *** |--> S.join = 0.001522 seconds *** |--> S.solve = 0.0361430000000001 seconds *** |--> S.split = 0.003114 seconds *** |--> Tensor update = 0.04879 seconds *** |--> create = 0.012815 seconds *** |--> destroy = 0.001382 seconds *** |--> disk write = 0.010251 seconds *** |--> disk read = 0.007006 seconds *** |--> calc = 0.017284 seconds *** Disk write bandwidth = 18.9451017259749 MB/s *** Disk read bandwidth = 27.8746234393957 MB/s *** Minimum energy = -107.007920599424 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 5.78666004003026e-11 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -107.007920599424 *** Minimum energy encountered during the last sweep = -107.007920599424 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -107.007920599424 and as Econst + 0.5*trace(2DM-A*Ham) = -107.007920599424 NOON of irrep Ag = [ 1.99999761761959 , 1.9981745943488 , 1.99099529503176 ]. NOON of irrep B2g = [ 0.999157301949283 ]. NOON of irrep B3g = [ 0.999157310522036 ]. NOON of irrep B1u = [ 1.99999763396986 , 1.99356775823356 , 0.0151843000421308 ]. NOON of irrep B2u = [ 1.00188409346155 ]. NOON of irrep B3u = [ 1.00188409482143 ]. Correlations::FillSite : Warning : Eigenvalue RDM orbitals (3,4) = -3.18674e-18 Single-orbital entropies (Hamiltonian index order is used!) = [ 4.8560259524106e-05 , 0.043979574568819 , 0.0191226121460679 , 0.710073268454824 , 0.710073276475478 , 0.00011419392453731 , 0.0501984644842268 , 0.0847677684184112 , 0.709393206009322 , 0.709393199364799 ]. Idistance(0) = 1.96740690509198 Idistance(1) = 7.24682984203019 Idistance(2) = 34.6048745861114 ************************************** RMS difference FCI and DMRG determinant coefficients = 2.75068648158e-06 Info on DMRG::operators rm call to system: 0 FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.070656 MB memory. FCI::HamTimesVec : Wall time = 0.001315 seconds FCI::HamTimesVec : Wall time = 0.001623 seconds FCI::HamTimesVec : Wall time = 0.001293 seconds FCI::HamTimesVec : Wall time = 0.001342 seconds FCI::HamTimesVec : Wall time = 0.001281 seconds FCI::HamTimesVec : Wall time = 0.002304 seconds FCI::HamTimesVec : Wall time = 0.001262 seconds FCI::HamTimesVec : Wall time = 0.00221 seconds FCI::HamTimesVec : Wall time = 0.001236 seconds FCI::HamTimesVec : Wall time = 0.002589 seconds FCI::HamTimesVec : Wall time = 0.001239 seconds FCI::HamTimesVec : Wall time = 0.001546 seconds FCI::HamTimesVec : Wall time = 0.001249 seconds FCI::HamTimesVec : Wall time = 0.001294 seconds FCI::HamTimesVec : Wall time = 0.001234 seconds FCI::HamTimesVec : Wall time = 0.001543 seconds FCI::GSDavidson : Converged ground state energy = -106.19146657595 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 16 Energy at sites (8, 9) is -99.801571487642 Stats: nIt(DAVIDSON) = 26 Energy at sites (7, 8) is -105.80162386177 Stats: nIt(DAVIDSON) = 46 Energy at sites (6, 7) is -105.905800855059 Stats: nIt(DAVIDSON) = 48 Energy at sites (5, 6) is -105.90952487118 Stats: nIt(DAVIDSON) = 37 Energy at sites (4, 5) is -106.111001235709 Stats: nIt(DAVIDSON) = 32 Energy at sites (3, 4) is -106.152521610179 Stats: nIt(DAVIDSON) = 5 Energy at sites (2, 3) is -106.152521907278 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.152521907278 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 1.252308 seconds *** |--> S.join = 0.005067 seconds *** |--> S.solve = 1.188461 seconds *** |--> S.split = 0.002325 seconds *** |--> Tensor update = 0.053686 seconds *** |--> create = 0.017516 seconds *** |--> destroy = 0.001519 seconds *** |--> disk write = 0.013849 seconds *** |--> disk read = 0.006274 seconds *** |--> calc = 0.014469 seconds *** Disk write bandwidth = 14.5756748146301 MB/s *** Disk read bandwidth = 32.0011390634962 MB/s *** Minimum energy = -106.152521907278 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.152521907278 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.152521907278 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.152521907278 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.152521907315 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -106.152607119792 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -106.191113362151 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.191113364562 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191113364562 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.282957 seconds *** |--> S.join = 0.0013 seconds *** |--> S.solve = 0.212278 seconds *** |--> S.split = 0.003278 seconds *** |--> Tensor update = 0.063612 seconds *** |--> create = 0.019375 seconds *** |--> destroy = 0.001275 seconds *** |--> disk write = 0.014266 seconds *** |--> disk read = 0.008588 seconds *** |--> calc = 0.020035 seconds *** Disk write bandwidth = 14.0736819349765 MB/s *** Disk read bandwidth = 23.5047182705883 MB/s *** Minimum energy = -106.191113364562 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 106.191113364562 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191113364562 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191113364562 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191113364562 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191113364576 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.191439347927 Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -106.191463095239 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.191463106191 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191463106191 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.21293 seconds *** |--> S.join = 0.001279 seconds *** |--> S.solve = 0.143199 seconds *** |--> S.split = 0.002537 seconds *** |--> Tensor update = 0.06344 seconds *** |--> create = 0.019063 seconds *** |--> destroy = 0.002951 seconds *** |--> disk write = 0.0147850000000001 seconds *** |--> disk read = 0.009641 seconds *** |--> calc = 0.016683 seconds *** Disk write bandwidth = 13.6529266491587 MB/s *** Disk read bandwidth = 20.8251370692226 MB/s *** Minimum energy = -106.191463106191 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191463106191 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191463106191 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191463106191 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191463106191 Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -106.191463114703 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -106.191466484359 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.191466484394 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466484394 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.603426 seconds *** |--> S.join = 0.007091 seconds *** |--> S.solve = 0.238732 seconds *** |--> S.split = 0.009937 seconds *** |--> Tensor update = 0.344746 seconds *** |--> create = 0.01855 seconds *** |--> destroy = 0.001506 seconds *** |--> disk write = 0.297234 seconds *** |--> disk read = 0.009268 seconds *** |--> calc = 0.018118 seconds *** Disk write bandwidth = 0.675478399121147 MB/s *** Disk read bandwidth = 21.7801597440454 MB/s *** Minimum energy = -106.191466484394 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 0.000353119831828508 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466484394 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466484394 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466484394 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466484394 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -106.19146655512 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -106.19146657057 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -106.191466570581 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466570581 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.183989 seconds *** |--> S.join = 0.006446 seconds *** |--> S.solve = 0.104564 seconds *** |--> S.split = 0.002394 seconds *** |--> Tensor update = 0.068034 seconds *** |--> create = 0.01739 seconds *** |--> destroy = 0.001631 seconds *** |--> disk write = 0.022965 seconds *** |--> disk read = 0.009329 seconds *** |--> calc = 0.016584 seconds *** Disk write bandwidth = 8.78983324658448 MB/s *** Disk read bandwidth = 21.5216150160119 MB/s *** Minimum energy = -106.191466570581 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466570581 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466570581 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466570581 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191466570581 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -106.191466570588 Stats: nIt(DAVIDSON) = 4 Energy at sites (5, 6) is -106.191466575498 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575498 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575498 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.174732 seconds *** |--> S.join = 0.004559 seconds *** |--> S.solve = 0.099144 seconds *** |--> S.split = 0.00235700000000003 seconds *** |--> Tensor update = 0.063332 seconds *** |--> create = 0.018801 seconds *** |--> destroy = 0.001182 seconds *** |--> disk write = 0.014745 seconds *** |--> disk read = 0.011084 seconds *** |--> calc = 0.017463 seconds *** Disk write bandwidth = 13.6164900972787 MB/s *** Disk read bandwidth = 18.211703402004 MB/s *** Minimum energy = -106.191466575498 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 9.11041411200131e-08 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575498 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575498 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575498 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466575498 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -106.191466575793 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575848 *** Information on left sweep 3 of instruction 0: *** Elapsed wall time = 0.161657 seconds *** |--> S.join = 0.009001 seconds *** |--> S.solve = 0.08269 seconds *** |--> S.split = 0.002876 seconds *** |--> Tensor update = 0.062624 seconds *** |--> create = 0.020373 seconds *** |--> destroy = 0.002436 seconds *** |--> disk write = 0.015843 seconds *** |--> disk read = 0.01049 seconds *** |--> calc = 0.013407 seconds *** Disk write bandwidth = 12.7411803640606 MB/s *** Disk read bandwidth = 19.1396707802073 MB/s *** Minimum energy = -106.191466575848 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575848 *** Information on right sweep 3 of instruction 0: *** Elapsed wall time = 0.104919 seconds *** |--> S.join = 0.001306 seconds *** |--> S.solve = 0.043398 seconds *** |--> S.split = 0.004274 seconds *** |--> Tensor update = 0.053423 seconds *** |--> create = 0.012439 seconds *** |--> destroy = 0.001982 seconds *** |--> disk write = 0.014938 seconds *** |--> disk read = 0.008059 seconds *** |--> calc = 0.015947 seconds *** Disk write bandwidth = 13.4405640972269 MB/s *** Disk read bandwidth = 25.047589093909 MB/s *** Minimum energy = -106.191466575848 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 3.50183881892008e-10 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575848 *** Information on left sweep 4 of instruction 0: *** Elapsed wall time = 0.138718 seconds *** |--> S.join = 0.004496 seconds *** |--> S.solve = 0.05625 seconds *** |--> S.split = 0.011334 seconds *** |--> Tensor update = 0.065328 seconds *** |--> create = 0.021256 seconds *** |--> destroy = 0.001951 seconds *** |--> disk write = 0.016332 seconds *** |--> disk read = 0.010454 seconds *** |--> calc = 0.015249 seconds *** Disk write bandwidth = 12.3596938836525 MB/s *** Disk read bandwidth = 19.2055812592668 MB/s *** Minimum energy = -106.191466575848 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575848 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575848 *** Information on right sweep 4 of instruction 0: *** Elapsed wall time = 0.11724 seconds *** |--> S.join = 0.005636 seconds *** |--> S.solve = 0.043702 seconds *** |--> S.split = 0.003037 seconds *** |--> Tensor update = 0.063656 seconds *** |--> create = 0.01897 seconds *** |--> destroy = 0.001199 seconds *** |--> disk write = 0.017303 seconds *** |--> disk read = 0.01021 seconds *** |--> calc = 0.015901 seconds *** Disk write bandwidth = 11.6034876312995 MB/s *** Disk read bandwidth = 19.7706680223127 MB/s *** Minimum energy = -106.191466575848 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -106.191466575848 *** Minimum energy encountered during the last sweep = -106.191466575848 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -106.191466575848 and as Econst + 0.5*trace(2DM-A*Ham) = -106.191466575848 NOON of irrep Ag = [ 1.99999399629998 , 1.99366236463108 , 1.87189895028789 ]. NOON of irrep B2g = [ 0.584810325285776 ]. NOON of irrep B3g = [ 0.584820257314866 ]. NOON of irrep B1u = [ 1.99999783391079 , 1.12096556257202 , 1.00219302525365 ]. NOON of irrep B2u = [ 1.42082397811516 ]. NOON of irrep B3u = [ 1.42083370632878 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17164820505719e-05 , 0.0722151840681757 , 0.460796376847761 , 1.13075732812615 , 1.1307614460665 , 6.17499280669303e-05 , 0.977140606478993 , 0.735941767225708 , 1.1204287023873 , 1.12042491463945 ]. Idistance(0) = 5.65235804722377 Idistance(1) = 19.8383273626847 Idistance(2) = 88.8196608210613 ************************************** RMS difference FCI and DMRG determinant coefficients = 1.69668812101e-05 Info on DMRG::operators rm call to system: 0 FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.302592 MB memory. FCI::HamTimesVec : Wall time = 0.00532 seconds FCI::HamTimesVec : Wall time = 0.005229 seconds FCI::HamTimesVec : Wall time = 0.00564700000000007 seconds FCI::HamTimesVec : Wall time = 0.005386 seconds FCI::HamTimesVec : Wall time = 0.005316 seconds FCI::HamTimesVec : Wall time = 0.005205 seconds FCI::HamTimesVec : Wall time = 0.004628 seconds FCI::HamTimesVec : Wall time = 0.005097 seconds FCI::HamTimesVec : Wall time = 0.004576 seconds FCI::HamTimesVec : Wall time = 0.005587 seconds FCI::HamTimesVec : Wall time = 0.033464 seconds FCI::HamTimesVec : Wall time = 0.005411 seconds FCI::HamTimesVec : Wall time = 0.007127 seconds FCI::HamTimesVec : Wall time = 0.004652 seconds FCI::HamTimesVec : Wall time = 0.005475 seconds FCI::HamTimesVec : Wall time = 0.005195 seconds FCI::GSDavidson : Converged ground state energy = -107.346326115024 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 18 Energy at sites (8, 9) is -103.543658632163 Stats: nIt(DAVIDSON) = 36 Energy at sites (7, 8) is -106.587978187264 Stats: nIt(DAVIDSON) = 28 Energy at sites (6, 7) is -106.778083406324 Stats: nIt(DAVIDSON) = 60 Energy at sites (5, 6) is -107.259156452971 Stats: nIt(DAVIDSON) = 36 Energy at sites (4, 5) is -107.345981095976 Stats: nIt(DAVIDSON) = 17 Energy at sites (3, 4) is -107.346100802388 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.346101824256 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346101824256 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 2.642651 seconds *** |--> S.join = 0.004053 seconds *** |--> S.solve = 2.55061 seconds *** |--> S.split = 0.004265 seconds *** |--> Tensor update = 0.081073 seconds *** |--> create = 0.021199 seconds *** |--> destroy = 0.002052 seconds *** |--> disk write = 0.013362 seconds *** |--> disk read = 0.009402 seconds *** |--> calc = 0.03499 seconds *** Disk write bandwidth = 61.2772504934703 MB/s *** Disk read bandwidth = 86.700984757648 MB/s *** Minimum energy = -107.346101824256 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346101824256 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346101824256 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346101824256 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -107.3461018252 Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -107.34610186586 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.346320616296 Stats: nIt(DAVIDSON) = 5 Energy at sites (6, 7) is -107.346325302114 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346325302114 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.54853 seconds *** |--> S.join = 0.002102 seconds *** |--> S.solve = 0.452713 seconds *** |--> S.split = 0.004637 seconds *** |--> Tensor update = 0.086561 seconds *** |--> create = 0.023371 seconds *** |--> destroy = 0.002921 seconds *** |--> disk write = 0.014292 seconds *** |--> disk read = 0.008921 seconds *** |--> calc = 0.0369750000000001 seconds *** Disk write bandwidth = 57.0362901407365 MB/s *** Disk read bandwidth = 91.7819326413799 MB/s *** Minimum energy = -107.346325302114 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.346325302114 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346325302114 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346325302114 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346325302114 Stats: nIt(DAVIDSON) = 5 Energy at sites (5, 6) is -107.346325306246 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.346325980267 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.346326105296 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -107.346326105317 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326105317 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.401918 seconds *** |--> S.join = 0.014896 seconds *** |--> S.solve = 0.293055 seconds *** |--> S.split = 0.003442 seconds *** |--> Tensor update = 0.087997 seconds *** |--> create = 0.02766 seconds *** |--> destroy = 0.001634 seconds *** |--> disk write = 0.014375 seconds *** |--> disk read = 0.00765 seconds *** |--> calc = 0.036598 seconds *** Disk write bandwidth = 56.9590692934783 MB/s *** Disk read bandwidth = 106.557210286458 MB/s *** Minimum energy = -107.346326105317 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326105317 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326105317 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326105317 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326105317 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326105386 Stats: nIt(DAVIDSON) = 4 Energy at sites (5, 6) is -107.346326114816 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326114816 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326114817 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.44485 seconds *** |--> S.join = 0.027764 seconds *** |--> S.solve = 0.252615 seconds *** |--> S.split = 0.018174 seconds *** |--> Tensor update = 0.141045 seconds *** |--> create = 0.024183 seconds *** |--> destroy = 0.00318 seconds *** |--> disk write = 0.015447 seconds *** |--> disk read = 0.007374 seconds *** |--> calc = 0.090786 seconds *** Disk write bandwidth = 52.7715840416525 MB/s *** Disk read bandwidth = 111.036970584995 MB/s *** Minimum energy = -107.346326114817 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 8.12702751318284e-07 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326114816 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326114817 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326114817 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.346326114816 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326114977 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326114994 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.203362 seconds *** |--> S.join = 0.002309 seconds *** |--> S.solve = 0.111916 seconds *** |--> S.split = 0.004436 seconds *** |--> Tensor update = 0.083635 seconds *** |--> create = 0.023443 seconds *** |--> destroy = 0.001327 seconds *** |--> disk write = 0.016618 seconds *** |--> disk read = 0.007238 seconds *** |--> calc = 0.034946 seconds *** Disk write bandwidth = 49.2710687864815 MB/s *** Disk read bandwidth = 112.622638669716 MB/s *** Minimum energy = -107.346326114994 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326114994 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326114994 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.346326114994 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326114993 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.192493 seconds *** |--> S.join = 0.007465 seconds *** |--> S.solve = 0.089091 seconds *** |--> S.split = 0.00484 seconds *** |--> Tensor update = 0.089907 seconds *** |--> create = 0.022179 seconds *** |--> destroy = 0.001585 seconds *** |--> disk write = 0.014753 seconds *** |--> disk read = 0.009135 seconds *** |--> calc = 0.042185 seconds *** Disk write bandwidth = 55.2540268888637 MB/s *** Disk read bandwidth = 89.6318140223043 MB/s *** Minimum energy = -107.346326114994 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.76868297785404e-10 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326114994 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326114994 *** Information on left sweep 3 of instruction 0: *** Elapsed wall time = 0.210246 seconds *** |--> S.join = 0.00451 seconds *** |--> S.solve = 0.098194 seconds *** |--> S.split = 0.014837 seconds *** |--> Tensor update = 0.089122 seconds *** |--> create = 0.023778 seconds *** |--> destroy = 0.001558 seconds *** |--> disk write = 0.015242 seconds *** |--> disk read = 0.01385 seconds *** |--> calc = 0.034622 seconds *** Disk write bandwidth = 53.7191064882397 MB/s *** Disk read bandwidth = 58.8565096528091 MB/s *** Minimum energy = -107.346326114994 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326114994 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326114994 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326114993 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326114993 *** Information on right sweep 3 of instruction 0: *** Elapsed wall time = 0.202084 seconds *** |--> S.join = 0.005435 seconds *** |--> S.solve = 0.0894790000000001 seconds *** |--> S.split = 0.005119 seconds *** |--> Tensor update = 0.099185 seconds *** |--> create = 0.027681 seconds *** |--> destroy = 0.002294 seconds *** |--> disk write = 0.019746 seconds *** |--> disk read = 0.012467 seconds *** |--> calc = 0.036913 seconds *** Disk write bandwidth = 41.282419664307 MB/s *** Disk read bandwidth = 65.6763151595211 MB/s *** Minimum energy = -107.346326114994 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 8.5265128291212e-14 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -107.346326114994 *** Minimum energy encountered during the last sweep = -107.346326114994 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -107.346326114993 and as Econst + 0.5*trace(2DM-A*Ham) = -107.346326114993 NOON of irrep Ag = [ 1.99999018534677 , 1.99292172754154 , 1.03221284705907 ]. NOON of irrep B2g = [ 1.02415313957393 ]. NOON of irrep B3g = [ 0.0896934128938042 ]. NOON of irrep B1u = [ 1.99999295582079 , 1.95039159793366 , 0.0159494912841544 ]. NOON of irrep B2u = [ 1.91962154635091 ]. NOON of irrep B3u = [ 1.97507309619537 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121323076708855 , 0.0447142826456221 , 0.838966725107558 , 0.790659060543817 , 0.317368369873503 , 9.2499230247778e-05 , 0.227633906726597 , 0.0907423405993687 , 0.299652743562721 , 0.133979218073338 ]. Idistance(0) = 1.5721529795379 Idistance(1) = 5.1580510980196 Idistance(2) = 21.9866295751015 ************************************** RMS difference FCI and DMRG determinant coefficients = 4.32651297905e-06 Info on DMRG::operators rm call to system: 0 FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.302592 MB memory. FCI::HamTimesVec : Wall time = 0.005776 seconds FCI::HamTimesVec : Wall time = 0.006538 seconds FCI::HamTimesVec : Wall time = 0.006021 seconds FCI::HamTimesVec : Wall time = 0.004794 seconds FCI::HamTimesVec : Wall time = 0.005738 seconds FCI::HamTimesVec : Wall time = 0.004279 seconds FCI::HamTimesVec : Wall time = 0.00567 seconds FCI::HamTimesVec : Wall time = 0.004578 seconds FCI::HamTimesVec : Wall time = 0.006105 seconds FCI::HamTimesVec : Wall time = 0.00429 seconds FCI::HamTimesVec : Wall time = 0.006177 seconds FCI::HamTimesVec : Wall time = 0.004385 seconds FCI::HamTimesVec : Wall time = 0.005905 seconds FCI::HamTimesVec : Wall time = 0.004293 seconds FCI::HamTimesVec : Wall time = 0.004626 seconds FCI::HamTimesVec : Wall time = 0.00427 seconds FCI::HamTimesVec : Wall time = 0.004876 seconds FCI::HamTimesVec : Wall time = 0.004308 seconds FCI::HamTimesVec : Wall time = 0.00461 seconds FCI::GSDavidson : Converged ground state energy = -107.199617421919 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 19 Energy at sites (8, 9) is -99.2282935789855 Stats: nIt(DAVIDSON) = 31 Energy at sites (7, 8) is -106.306585811604 Stats: nIt(DAVIDSON) = 48 Energy at sites (6, 7) is -106.950154864782 Stats: nIt(DAVIDSON) = 68 Energy at sites (5, 6) is -107.181816850151 Stats: nIt(DAVIDSON) = 37 Energy at sites (4, 5) is -107.188523948497 Stats: nIt(DAVIDSON) = 39 Energy at sites (3, 4) is -107.199543248163 Stats: nIt(DAVIDSON) = 12 Energy at sites (2, 3) is -107.199555517986 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199555517986 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 3.392877 seconds *** |--> S.join = 0.009533 seconds *** |--> S.solve = 3.295084 seconds *** |--> S.split = 0.004077 seconds *** |--> Tensor update = 0.080946 seconds *** |--> create = 0.024957 seconds *** |--> destroy = 0.001585 seconds *** |--> disk write = 0.015545 seconds *** |--> disk read = 0.007408 seconds *** |--> calc = 0.031133 seconds *** Disk write bandwidth = 54.1125052456075 MB/s *** Disk read bandwidth = 113.060870901812 MB/s *** Minimum energy = -107.199555517986 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199555517986 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199555517986 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199555517986 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.199555520429 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199566786188 Stats: nIt(DAVIDSON) = 16 Energy at sites (5, 6) is -107.199612299853 Stats: nIt(DAVIDSON) = 9 Energy at sites (6, 7) is -107.199617333346 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617333346 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.736477 seconds *** |--> S.join = 0.004096 seconds *** |--> S.solve = 0.643802 seconds *** |--> S.split = 0.003867 seconds *** |--> Tensor update = 0.08229 seconds *** |--> create = 0.023504 seconds *** |--> destroy = 0.003447 seconds *** |--> disk write = 0.015461 seconds *** |--> disk read = 0.007459 seconds *** |--> calc = 0.0323440000000001 seconds *** Disk write bandwidth = 54.1721060501019 MB/s *** Disk read bandwidth = 112.773682000666 MB/s *** Minimum energy = -107.199617333346 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.199617333346 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.199617333346 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617333346 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617333346 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.199617347727 Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -107.199617387923 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617420572 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.199617421604 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421604 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.436898 seconds *** |--> S.join = 0.003086 seconds *** |--> S.solve = 0.345548 seconds *** |--> S.split = 0.004328 seconds *** |--> Tensor update = 0.081292 seconds *** |--> create = 0.02166 seconds *** |--> destroy = 0.001611 seconds *** |--> disk write = 0.014285 seconds *** |--> disk read = 0.009194 seconds *** |--> calc = 0.03447 seconds *** Disk write bandwidth = 58.8854668563506 MB/s *** Disk read bandwidth = 91.097991259585 MB/s *** Minimum energy = -107.199617421604 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421604 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421604 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421604 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617421604 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.199617421654 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421901 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.200399 seconds *** |--> S.join = 0.001434 seconds *** |--> S.solve = 0.106816 seconds *** |--> S.split = 0.003936 seconds *** |--> Tensor update = 0.085426 seconds *** |--> create = 0.020896 seconds *** |--> destroy = 0.00177 seconds *** |--> disk write = 0.015132 seconds *** |--> disk read = 0.010104 seconds *** |--> calc = 0.037451 seconds *** Disk write bandwidth = 55.3499161803215 MB/s *** Disk read bandwidth = 83.2520678981561 MB/s *** Minimum energy = -107.199617421901 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 8.85545148321398e-08 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421901 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.191299 seconds *** |--> S.join = 0.017555 seconds *** |--> S.solve = 0.084589 seconds *** |--> S.split = 0.004102 seconds *** |--> Tensor update = 0.082465 seconds *** |--> create = 0.021096 seconds *** |--> destroy = 0.001527 seconds *** |--> disk write = 0.017405 seconds *** |--> disk read = 0.009084 seconds *** |--> calc = 0.033289 seconds *** Disk write bandwidth = 48.3297267476569 MB/s *** Disk read bandwidth = 92.2011153281181 MB/s *** Minimum energy = -107.199617421901 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617421901 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421901 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.166377 seconds *** |--> S.join = 0.001321 seconds *** |--> S.solve = 0.079119 seconds *** |--> S.split = 0.004744 seconds *** |--> Tensor update = 0.0785380000000001 seconds *** |--> create = 0.023017 seconds *** |--> destroy = 0.001251 seconds *** |--> disk write = 0.01681 seconds *** |--> disk read = 0.006904 seconds *** |--> calc = 0.0304790000000001 seconds *** Disk write bandwidth = 49.8248025961109 MB/s *** Disk read bandwidth = 121.839353134845 MB/s *** Minimum energy = -107.199617421901 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -107.199617421901 *** Minimum energy encountered during the last sweep = -107.199617421901 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -107.199617421901 and as Econst + 0.5*trace(2DM-A*Ham) = -107.199617421901 NOON of irrep Ag = [ 1.99998814661186 , 1.98924044994503 , 1.87687827794974 ]. NOON of irrep B2g = [ 0.139388225531213 ]. NOON of irrep B3g = [ 1.03112739345909 ]. NOON of irrep B1u = [ 1.99999431244221 , 1.10839211914486 , 0.0211635251452594 ]. NOON of irrep B2u = [ 1.96715787985305 ]. NOON of irrep B3u = [ 1.86666966991769 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149979349981572 , 0.0818408997502514 , 0.449624164158977 , 0.486646302316348 , 0.811029996795861 , 6.68867163487165e-05 , 0.96204719659467 , 0.112094328235599 , 0.167176532880424 , 0.475083594800753 ]. Idistance(0) = 2.38446602382469 Idistance(1) = 9.5800105665258 Idistance(2) = 47.8785095718776 ************************************** RMS difference FCI and DMRG determinant coefficients = 4.36901419646e-06 Info on DMRG::operators rm call to system: 0 ================> Did test 1 succeed : yes make[1]: Leaving directory '/«PKGBUILDDIR»' fakeroot debian/rules binary dh binary --with python2 dh_testroot dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/«PKGBUILDDIR»' dh_auto_install make -j1 install DESTDIR=/«PKGBUILDDIR»/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[3]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-base make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-shared make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-static make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 85%] Built target chemps2bin make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 87%] Built target test1 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 88%] Built target test10 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 90%] Built target test2 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 91%] Built target test3 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 92%] Built target test4 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 94%] Built target test5 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 95%] Built target test6 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 97%] Built target test7 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 98%] Built target test8 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [100%] Built target test9 make[3]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Install the project... -- Install configuration: "None" -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.1 -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so -- Removed runtime path from "/«PKGBUILDDIR»/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.1" -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.a -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2 -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Sobject.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRG.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorO.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS0.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS0Abase.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorDiag.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorQ.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF0Cbase.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorA.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Irreps.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS1Bbase.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/ConvergenceScheme.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF1Dbase.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorX.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Tensor.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorL.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/FourIndex.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Hamiltonian.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/SyBookkeeper.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorD.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoDM.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoIndex.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Gsl.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Heff.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorSwap.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Correlations.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Problem.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Initialize.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorK.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DIIS.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/FCI.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorGYZ.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorT.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS1.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Lapack.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFindices.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFVmatRotations.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/MPIchemps2.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/MyHDF5.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/CASSCF.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorM.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoDMstorage.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Options.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF0.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorB.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF1.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Davidson.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorC.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/bin/chemps2 -- Removed runtime path from "/«PKGBUILDDIR»/debian/tmp/usr/bin/chemps2" make[2]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' # This will skip the build as it is already performed cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py install --root=../debian/tmp --install-layout=deb running install running build running build_py copying ReadinHamiltonianFCIDUMP.py -> build/lib.linux-x86_64-2.7 copying ReadinHamiltonianPsi4.py -> build/lib.linux-x86_64-2.7 running build_ext skipping 'PyCheMPS2.cpp' Cython extension (up-to-date) running install_lib creating ../debian/tmp/usr/lib/python2.7 creating ../debian/tmp/usr/lib/python2.7/dist-packages copying build/lib.linux-x86_64-2.7/PyCheMPS2.so -> ../debian/tmp/usr/lib/python2.7/dist-packages copying build/lib.linux-x86_64-2.7/ReadinHamiltonianFCIDUMP.py -> ../debian/tmp/usr/lib/python2.7/dist-packages copying build/lib.linux-x86_64-2.7/ReadinHamiltonianPsi4.py -> ../debian/tmp/usr/lib/python2.7/dist-packages byte-compiling ../debian/tmp/usr/lib/python2.7/dist-packages/ReadinHamiltonianFCIDUMP.py to ReadinHamiltonianFCIDUMP.pyc byte-compiling ../debian/tmp/usr/lib/python2.7/dist-packages/ReadinHamiltonianPsi4.py to ReadinHamiltonianPsi4.pyc running install_egg_info Writing ../debian/tmp/usr/lib/python2.7/dist-packages/CheMPS2-1.6.egg-info dh_numpy make[1]: Leaving directory '/«PKGBUILDDIR»' dh_install dh_installdocs debian/rules override_dh_installchangelogs make[1]: Entering directory '/«PKGBUILDDIR»' dh_installchangelogs -k CHANGELOG.md make[1]: Leaving directory '/«PKGBUILDDIR»' debian/rules override_dh_installman make[1]: Entering directory '/«PKGBUILDDIR»' dh_installman chemps2.1 make[1]: Leaving directory '/«PKGBUILDDIR»' dh_python2 I: dh_python2 fs:316: renaming PyCheMPS2.so to PyCheMPS2.x86_64-linux-gnu.so dh_perl dh_link dh_compress dh_fixperms dh_strip dh_strip debug symbol extraction: enabling -a due to Build-Debug-Symbols: yes in /CurrentlyBuilding dh_strip debug symbol extraction: all non-arch-all packages for this build platform amd64: libchemps2-1 libchemps2-dev chemps2 python-chemps2 dh_strip debug symbol extraction: packages to act on: libchemps2-1 libchemps2-dev chemps2 python-chemps2 dh_strip debug symbol extraction: ignored packages: Using buildid for compat level >= 9 dpkg-gencontrol: warning: -is is deprecated; it is without effect dpkg-gencontrol: warning: -ip is deprecated; it is without effect dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package libchemps2-1: unused substitution variable ${python:Depends} /usr/bin/pkg_create_dbgsym: deferring build of .ddeb to dh_gencontrol Using buildid for compat level >= 9 libchemps2-dev has no unstripped objects, ignoring find: `/«PKGBUILDDIR»/debian/libchemps2-dev-dbgsym': No such file or directory /usr/bin/pkg_create_dbgsym: nothing in /«PKGBUILDDIR»/debian/libchemps2-dev-dbgsym and no dbgdepends, ignoring Using buildid for compat level >= 9 dpkg-gencontrol: warning: -is is deprecated; it is without effect dpkg-gencontrol: warning: -ip is deprecated; it is without effect dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package chemps2: unused substitution variable ${python:Depends} /usr/bin/pkg_create_dbgsym: deferring build of .ddeb to dh_gencontrol Using buildid for compat level >= 9 dpkg-gencontrol: warning: -is is deprecated; it is without effect dpkg-gencontrol: warning: -ip is deprecated; it is without effect dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Provides} dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Versions} dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Depends} /usr/bin/pkg_create_dbgsym: deferring build of .ddeb to dh_gencontrol strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/CASSCF.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/CASSCFdebug.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/ConvergenceScheme.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/Correlations.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/Davidson.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DIIS.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRG.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRGmpsio.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRGoperators.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRGSCFindices.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRGSCFoptions.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRGSCFunitary.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRGSCFVmatRotations.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/DMRGtechnics.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/FCI.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/FourIndex.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/Hamiltonian.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/Heff.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/HeffDiagonal.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/HeffDiagrams1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/HeffDiagrams2.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/HeffDiagrams3.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/HeffDiagrams4.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/HeffDiagrams5.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/Initialize.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/Irreps.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/PrintLicense.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/Problem.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/Sobject.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/SyBookkeeper.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorA.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorB.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorC.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorD.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorDiag.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorF0Cbase.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorF0.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorF1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorF1Dbase.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorGYZ.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorK.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorL.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorO.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorQ.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorS0Abase.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorS0.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorS1Bbase.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorS1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorSwap.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorT.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TensorX.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TwoDM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TwoDMstorage.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/sto6NZjm/TwoIndex.cpp.o: plugin needed to handle lto object dh_makeshlibs dpkg-gensymbols: warning: debian/libchemps2-1/DEBIAN/symbols doesn't match completely debian/libchemps2-1.symbols --- debian/libchemps2-1.symbols (libchemps2-1_1.6-1build1_amd64) +++ dpkg-gensymbols_7Ik4Z 2015-10-06 12:33:03.591127448 +0000 @@ -26,26 +26,26 @@ _ZN7CheMPS210TensorSwapD1Ev@Base 1.5 _ZN7CheMPS210TensorSwapD2Ev@Base 1.5 (optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 - (optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ESsSsSs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ESsSsSs@Base 1.5 (optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPESs@Base 1.5 (optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpESs@Base 1.5 (optional)_ZN7CheMPS211Hamiltonian4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 - (optional)_ZN7CheMPS211Hamiltonian4readESsSsSs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS211Hamiltonian4readESsSsSs@Base 1.5 _ZN7CheMPS211Hamiltonian7setTmatEiid@Base 1.5 _ZN7CheMPS211Hamiltonian7setVmatEiiiid@Base 1.5 _ZN7CheMPS211Hamiltonian9addToVmatEiiiid@Base 1.5 _ZN7CheMPS211Hamiltonian9setEconstEd@Base 1.5 (optional)_ZN7CheMPS211HamiltonianC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEi@Base 1.5 - (optional)_ZN7CheMPS211HamiltonianC1ESsi@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS211HamiltonianC1ESsi@Base 1.5 (optional)_ZN7CheMPS211HamiltonianC1EbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 - (optional)_ZN7CheMPS211HamiltonianC1EbSsSsSs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS211HamiltonianC1EbSsSsSs@Base 1.5 _ZN7CheMPS211HamiltonianC1EiiPKi@Base 1.5 (optional)_ZN7CheMPS211HamiltonianC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEi@Base 1.5 - (optional)_ZN7CheMPS211HamiltonianC2ESsi@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS211HamiltonianC2ESsi@Base 1.5 (optional)_ZN7CheMPS211HamiltonianC2EbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 - (optional)_ZN7CheMPS211HamiltonianC2EbSsSsSs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS211HamiltonianC2EbSsSsSs@Base 1.5 _ZN7CheMPS211HamiltonianC2EiiPKi@Base 1.5 _ZN7CheMPS211HamiltonianD0Ev@Base 1.5 _ZN7CheMPS211HamiltonianD1Ev@Base 1.5 @@ -68,7 +68,7 @@ _ZN7CheMPS212TwoDMstorage20calcNumberOfElementsEb@Base 1.5 _ZN7CheMPS212TwoDMstorage3setEiiiiiiiid@Base 1.5 (optional)_ZN7CheMPS212TwoDMstorage4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS212TwoDMstorage4readESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS212TwoDMstorage4readESs@Base 1.5 _ZN7CheMPS212TwoDMstorage5ClearEv@Base 1.5 _ZN7CheMPS212TwoDMstorageC1EiPKi@Base 1.5 _ZN7CheMPS212TwoDMstorageC2EiPKi@Base 1.5 @@ -148,13 +148,13 @@ _ZN7CheMPS214DMRGSCFoptions17setStartLocRandomEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptions17setStateAveragingEb@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameESs@Base 1.5 _ZN7CheMPS214DMRGSCFoptions19setDumpCorrelationsEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptions19setWhichActiveSpaceEi@Base 1.5 _ZN7CheMPS214DMRGSCFoptions20setGradientThresholdEd@Base 1.5 _ZN7CheMPS214DMRGSCFoptions21setDIISGradientBranchEd@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameESs@Base 1.5 _ZN7CheMPS214DMRGSCFoptions9setDoDIISEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptionsC1Ev@Base 1.5 _ZN7CheMPS214DMRGSCFoptionsC2Ev@Base 1.5 @@ -165,7 +165,7 @@ _ZN7CheMPS214DMRGSCFunitary23makeSureAllBlocksDetOneEPdS1_@Base 1.5 _ZN7CheMPS214DMRGSCFunitary24rotateActiveSpaceVectorsEPdS1_@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFunitary5loadUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS214DMRGSCFunitary5loadUESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS214DMRGSCFunitary5loadUESs@Base 1.5 _ZN7CheMPS214DMRGSCFunitary8getBlockEi@Base 1.5 _ZN7CheMPS214DMRGSCFunitaryC1EPNS_14DMRGSCFindicesE@Base 1.5 _ZN7CheMPS214DMRGSCFunitaryC2EPNS_14DMRGSCFindicesE@Base 1.5 @@ -229,7 +229,7 @@ _ZN7CheMPS24DIIS12getLastLincoEv@Base 1.5 _ZN7CheMPS24DIIS14calculateParamEPd@Base 1.5 (optional)_ZN7CheMPS24DIIS8loadDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS24DIIS8loadDIISESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS24DIIS8loadDIISESs@Base 1.5 _ZN7CheMPS24DIIS9appendNewEPdS1_@Base 1.5 _ZN7CheMPS24DIISC1Eiii@Base 1.5 _ZN7CheMPS24DIISC2Eiii@Base 1.5 @@ -248,9 +248,9 @@ _ZN7CheMPS24DMRG16updateMovingLeftEi@Base 1.5 _ZN7CheMPS24DMRG17updateMovingRightEi@Base 1.5 (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 - (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExSs@Base 1.6 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExSs@Base 1.6 (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 - (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExSs@Base 1.6 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExSs@Base 1.6 _ZN7CheMPS24DMRG19activateExcitationsEi@Base 1.5 _ZN7CheMPS24DMRG19prepare_excitationsEPNS_7SobjectE@Base 1.5 _ZN7CheMPS24DMRG20updateMovingLeftSafeEi@Base 1.5 @@ -264,15 +264,15 @@ _ZN7CheMPS24DMRG30updateMovingRightSafeFirstTimeEi@Base 1.5 _ZN7CheMPS24DMRG5SolveEv@Base 1.5 (optional)_ZN7CheMPS24DMRG7loadDIMENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPNS_12SyBookkeeperE@Base 1.5 - (optional)_ZN7CheMPS24DMRG7loadDIMESsPNS_12SyBookkeeperE@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS24DMRG7loadDIMESsPNS_12SyBookkeeperE@Base 1.5 (optional)_ZN7CheMPS24DMRG7loadMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPb@Base 1.5 - (optional)_ZN7CheMPS24DMRG7loadMPSESsPPNS_7TensorTEPb@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS24DMRG7loadMPSESsPPNS_7TensorTEPb@Base 1.5 _ZN7CheMPS24DMRG8PreSolveEv@Base 1.5 _ZN7CheMPS24DMRG9sweepleftEbib@Base 1.5 (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5 (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5 _ZN7CheMPS24DMRGD0Ev@Base 1.5 _ZN7CheMPS24DMRGD1Ev@Base 1.5 _ZN7CheMPS24DMRGD2Ev@Base 1.5 @@ -327,7 +327,7 @@ _ZN7CheMPS26CASSCF17getNumberOfIrrepsEv@Base 1.5 (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 _ZN7CheMPS26CASSCF18allocateAndFillOCCEPiS1_@Base 1.5 - (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCESs@Base 1.5 _ZN7CheMPS26CASSCF18augmentedHessianNREPKNS_13DMRGSCFmatrixEPKNS_13DMRGSCFwtildeEPKNS_14DMRGSCFindicesEPKNS_14DMRGSCFunitaryEPdSD_SD_@Base 1.5 _ZN7CheMPS26CASSCF21doCASSCFnewtonraphsonEiiiPNS_17ConvergenceSchemeEiPNS_14DMRGSCFoptionsE@Base 1.5 _ZN7CheMPS26CASSCF29fillLocalizedOrbitalRotationsEPNS_14DMRGSCFunitaryEPNS_14DMRGSCFindicesEPd@Base 1.5 @@ -338,22 +338,22 @@ _ZN7CheMPS26CASSCF9buildFmatEPNS_13DMRGSCFmatrixEPKS1_S4_S4_PKNS_14DMRGSCFindicesEPKNS_16DMRGSCFintegralsEPdSB_@Base 1.5 (optional)_ZN7CheMPS26CASSCFC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 _ZN7CheMPS26CASSCFC1EPNS_11HamiltonianEPiS3_@Base 1.5 - (optional)_ZN7CheMPS26CASSCFC1ESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS26CASSCFC1ESs@Base 1.5 (optional)_ZN7CheMPS26CASSCFC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 _ZN7CheMPS26CASSCFC2EPNS_11HamiltonianEPiS3_@Base 1.5 - (optional)_ZN7CheMPS26CASSCFC2ESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS26CASSCFC2ESs@Base 1.5 _ZN7CheMPS26CASSCFD0Ev@Base 1.5 _ZN7CheMPS26CASSCFD1Ev@Base 1.5 _ZN7CheMPS26CASSCFD2Ev@Base 1.5 (optional)_ZN7CheMPS26Irreps12getGroupNameB5cxx11Ei@Base 1.5 - (optional)_ZN7CheMPS26Irreps12getGroupNameEi@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS26Irreps12getGroupNameEi@Base 1.5 (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 - (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiSs@Base 1.6 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiSs@Base 1.6 _ZN7CheMPS26Irreps17getNumberOfIrrepsEi@Base 1.5 (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateB5cxx11Ei@Base 1.5 - (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateEi@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateEi@Base 1.5 (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateB5cxx11Eii@Base 1.5 - (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateEii@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateEii@Base 1.5 _ZN7CheMPS26Irreps8printAllEv@Base 1.5 _ZN7CheMPS26Irreps8setGroupEi@Base 1.5 _ZN7CheMPS26IrrepsC1Ei@Base 1.5 @@ -555,7 +555,7 @@ _ZN7CheMPS28TensorS1D2Ev@Base 1.5 _ZN7CheMPS28TwoIndex3setEiiid@Base 1.5 (optional)_ZN7CheMPS28TwoIndex4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS28TwoIndex4readESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS28TwoIndex4readESs@Base 1.5 _ZN7CheMPS28TwoIndex5ClearEv@Base 1.5 _ZN7CheMPS28TwoIndexC1EiPKi@Base 1.5 _ZN7CheMPS28TwoIndexC2EiPKi@Base 1.5 @@ -566,7 +566,7 @@ _ZN7CheMPS29FourIndex3addEiiiiiiiid@Base 1.5 _ZN7CheMPS29FourIndex3setEiiiiiiiid@Base 1.5 (optional)_ZN7CheMPS29FourIndex4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZN7CheMPS29FourIndex4readESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZN7CheMPS29FourIndex4readESs@Base 1.5 _ZN7CheMPS29FourIndex5ClearEv@Base 1.5 _ZN7CheMPS29FourIndexC1EiPKi@Base 1.5 _ZN7CheMPS29FourIndexC2EiPKi@Base 1.5 @@ -591,11 +591,11 @@ _ZNK7CheMPS210TensorSwap7gNKappaEv@Base 1.5 _ZNK7CheMPS211Hamiltonian10debugcheckEv@Base 1.5 (optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEiii@Base 1.6 - (optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPESsiii@Base 1.6 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPESsiii@Base 1.6 _ZNK7CheMPS211Hamiltonian15getOrbitalIrrepEi@Base 1.5 _ZNK7CheMPS211Hamiltonian4getLEv@Base 1.5 (optional)_ZNK7CheMPS211Hamiltonian4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 - (optional)_ZNK7CheMPS211Hamiltonian4saveESsSsSs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS211Hamiltonian4saveESsSsSs@Base 1.5 _ZNK7CheMPS211Hamiltonian7getTmatEii@Base 1.5 _ZNK7CheMPS211Hamiltonian7getVmatEiiii@Base 1.5 _ZNK7CheMPS211Hamiltonian9getEconstEv@Base 1.5 @@ -639,7 +639,7 @@ _ZNK7CheMPS212TwoDMstorage10getPointerEiiiiiiii@Base 1.5 _ZNK7CheMPS212TwoDMstorage3getEiiiiiiii@Base 1.5 (optional)_ZNK7CheMPS212TwoDMstorage4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZNK7CheMPS212TwoDMstorage4saveESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS212TwoDMstorage4saveESs@Base 1.5 _ZNK7CheMPS213DMRGSCFmatrix3getEiii@Base 1.5 _ZNK7CheMPS213DMRGSCFwtilde3getEiiiiii@Base 1.5 _ZNK7CheMPS213TensorF0Cbase12gKappa2indexEi@Base 1.5 @@ -681,13 +681,13 @@ _ZNK7CheMPS214DMRGSCFoptions17getStartLocRandomEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions17getStateAveragingEv@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameB5cxx11Ev@Base 1.5 - (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameEv@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions19getDumpCorrelationsEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions19getWhichActiveSpaceEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions20getGradientThresholdEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions21getDIISGradientBranchEv@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameB5cxx11Ev@Base 1.5 - (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameEv@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions9getDoDIISEv@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary13getFirstIndexEi@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary14buildSkewSymmXEiPdS1_b@Base 1.5 @@ -695,11 +695,11 @@ _ZNK7CheMPS214DMRGSCFunitary14getSecondIndexEi@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary16getNumVariablesXEv@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryESs@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary25CheckDeviationFromUnitaryEPd@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary3BCHEPdS1_S1_S1_S1_@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUESs@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary6getLogEPdS1_S1_@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary9getJumperEii@Base 1.5 _ZNK7CheMPS216DMRGSCFintegrals11get_coulombEiiiiiiii@Base 1.5 @@ -748,15 +748,15 @@ _ZNK7CheMPS24DIIS15getNumVarsErrorEv@Base 1.5 _ZNK7CheMPS24DIIS15getNumVarsParamEv@Base 1.5 (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISESs@Base 1.5 _ZNK7CheMPS24DIIS17getCurrentNumVecsEv@Base 1.5 (optional)_ZNK7CheMPS24DIIS8saveDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZNK7CheMPS24DIIS8saveDIISESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS24DIIS8saveDIISESs@Base 1.5 _ZNK7CheMPS24DMRG17getFCIcoefficientEPiS1_b@Base 1.5 _ZNK7CheMPS24DMRG19cleanup_excitationsEPPd@Base 1.5 _ZNK7CheMPS24DMRG22getSpecificCoefficientEPi@Base 1.5 (optional)_ZNK7CheMPS24DMRG7saveMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5 - (optional)_ZNK7CheMPS24DMRG7saveMPSESsPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS24DMRG7saveMPSESsPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5 _ZNK7CheMPS24Heff12addDiagram1AEiPdS1_PKNS_7SobjectEPNS_7TensorXE@Base 1.5 _ZNK7CheMPS24Heff12addDiagram1BEiPdS1_PKNS_7SobjectEPNS_7TensorXE@Base 1.5 _ZNK7CheMPS24Heff12addDiagram1CEiPdS1_PKNS_7SobjectEd@Base 1.5 @@ -847,15 +847,15 @@ _ZNK7CheMPS25TwoDM13getTwoDMA_HAMEiiii@Base 1.5 _ZNK7CheMPS25TwoDM13getTwoDMB_HAMEiiii@Base 1.5 (optional)_ZNK7CheMPS25TwoDM13write2DMAfileENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 - (optional)_ZNK7CheMPS25TwoDM13write2DMAfileESs@Base 1.6 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS25TwoDM13write2DMAfileESs@Base 1.6 _ZNK7CheMPS25TwoDM14getTwoDMA_DMRGEiiii@Base 1.5 _ZNK7CheMPS25TwoDM14getTwoDMB_DMRGEiiii@Base 1.5 _ZNK7CheMPS25TwoDM9printNOONEv@Base 1.6 _ZNK7CheMPS26CASSCF20fillConstAndTmatDMRGEPNS_11HamiltonianE@Base 1.5 (optional)_ZNK7CheMPS26Irreps12getGroupNameB5cxx11Ev@Base 1.5 - (optional)_ZNK7CheMPS26Irreps12getGroupNameEv@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS26Irreps12getGroupNameEv@Base 1.5 (optional)_ZNK7CheMPS26Irreps12getIrrepNameB5cxx11Ei@Base 1.5 - (optional)_ZNK7CheMPS26Irreps12getIrrepNameEi@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS26Irreps12getIrrepNameEi@Base 1.5 _ZNK7CheMPS26Irreps14getGroupNumberEv@Base 1.5 _ZNK7CheMPS26Irreps14getIsActivatedEv@Base 1.5 _ZNK7CheMPS26Irreps15symm_psi2molproEPi@Base 1.6 @@ -893,7 +893,7 @@ _ZNK7CheMPS28Davidson21GetNumMultiplicationsEv@Base 1.5 _ZNK7CheMPS28TwoIndex3getEiii@Base 1.5 (optional)_ZNK7CheMPS28TwoIndex4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZNK7CheMPS28TwoIndex4saveESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS28TwoIndex4saveESs@Base 1.5 _ZNK7CheMPS29FourIndex10getPointerEiiiiiiii@Base 1.5 _ZNK7CheMPS29FourIndex12getPtrAllOK1Eiiiiiii@Base 1.5 _ZNK7CheMPS29FourIndex12getPtrAllOK2Eiiiiiii@Base 1.5 @@ -901,7 +901,7 @@ _ZNK7CheMPS29FourIndex18getPtrIrrepOrderOKEiiiiiiii@Base 1.5 _ZNK7CheMPS29FourIndex3getEiiiiiiii@Base 1.5 (optional)_ZNK7CheMPS29FourIndex4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 - (optional)_ZNK7CheMPS29FourIndex4saveESs@Base 1.5 +#MISSING: 1.6-1build1# (optional)_ZNK7CheMPS29FourIndex4saveESs@Base 1.5 _ZTIN7CheMPS210InitializeE@Base 1.5 _ZTIN7CheMPS210TensorDiagE@Base 1.5 _ZTIN7CheMPS210TensorSwapE@Base 1.5 dh_shlibdeps dh_installdeb dh_gencontrol dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package libchemps2-1: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: Depends field of package libchemps2-dev: unknown substitution variable ${shlibs:Depends} dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package libchemps2-dev: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: Depends field of package chemps2-doc: unknown substitution variable ${sphinxdoc:Depends} dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package chemps2-doc: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package chemps2: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Versions} dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Provides} dh_gencontrol debug symbol wrapper: all non-arch-all packages for this build platform amd64: libchemps2-1 libchemps2-dev chemps2 python-chemps2 dh_gencontrol debug symbol wrapper: packages to act on: libchemps2-1 libchemps2-dev chemps2 python-chemps2 dh_gencontrol debug symbol wrapper: ignored packages: dh_gencontrol debug symbol wrapper: processing package libchemps2-1 (pkgdir debian/libchemps2-1, ddeb package dir debian/libchemps2-1-dbgsym) dh_gencontrol debug symbol wrapper: building libchemps2-1-dbgsym_1.6-1build1_amd64.ddeb dpkg-deb: building package 'libchemps2-1-dbgsym' in '../libchemps2-1-dbgsym_1.6-1build1_amd64.ddeb'. dh_gencontrol debug symbol wrapper: dpkg-distaddfile libchemps2-1-dbgsym_1.6-1build1_amd64.ddeb libs extra dpkg-distaddfile: warning: File::FcntlLock not available; using flock which is not NFS-safe dh_gencontrol debug symbol wrapper: no debian/libchemps2-dev-dbgsym, skipping package libchemps2-dev dh_gencontrol debug symbol wrapper: processing package chemps2 (pkgdir debian/chemps2, ddeb package dir debian/chemps2-dbgsym) dh_gencontrol debug symbol wrapper: building chemps2-dbgsym_1.6-1build1_amd64.ddeb dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.6-1build1_amd64.ddeb'. dh_gencontrol debug symbol wrapper: dpkg-distaddfile chemps2-dbgsym_1.6-1build1_amd64.ddeb science extra dpkg-distaddfile: warning: File::FcntlLock not available; using flock which is not NFS-safe dh_gencontrol debug symbol wrapper: processing package python-chemps2 (pkgdir debian/python-chemps2, ddeb package dir debian/python-chemps2-dbgsym) dh_gencontrol debug symbol wrapper: building python-chemps2-dbgsym_1.6-1build1_amd64.ddeb dpkg-deb: building package 'python-chemps2-dbgsym' in '../python-chemps2-dbgsym_1.6-1build1_amd64.ddeb'. dh_gencontrol debug symbol wrapper: dpkg-distaddfile python-chemps2-dbgsym_1.6-1build1_amd64.ddeb python extra dpkg-distaddfile: warning: File::FcntlLock not available; using flock which is not NFS-safe dh_md5sums dh_builddeb INFO: pkgstriptranslations version 122 pkgstriptranslations: processing libchemps2-1 (in debian/libchemps2-1); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/libchemps2-1/DEBIAN/control, package libchemps2-1, directory debian/libchemps2-1 .. removing usr/share/doc/libchemps2-1/changelog.gz pkgstripfiles: PNG optimization for package libchemps2-1 took 0 s dpkg-deb: building package 'libchemps2-1' in '../libchemps2-1_1.6-1build1_amd64.deb'. INFO: pkgstriptranslations version 122 pkgstriptranslations: processing libchemps2-dev (in debian/libchemps2-dev); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/libchemps2-dev/DEBIAN/control, package libchemps2-dev, directory debian/libchemps2-dev .. removing usr/share/doc/libchemps2-dev/changelog.gz Searching for duplicated docs in dependency libchemps2-1... symlinking changelog.Debian.gz in libchemps2-dev to file in libchemps2-1 pkgstripfiles: PNG optimization for package libchemps2-dev took 0 s dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.6-1build1_amd64.deb'. INFO: pkgstriptranslations version 122 pkgstriptranslations: processing chemps2-doc (in debian/chemps2-doc); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/chemps2-doc/DEBIAN/control, package chemps2-doc, directory debian/chemps2-doc .. removing usr/share/doc/chemps2-doc/changelog.gz pkgstripfiles: Disabled PNG optimization for -doc package chemps2-doc (to save build time) dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.6-1build1_all.deb'. INFO: pkgstriptranslations version 122 pkgstriptranslations: processing chemps2 (in debian/chemps2); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/chemps2/DEBIAN/control, package chemps2, directory debian/chemps2 .. removing usr/share/doc/chemps2/changelog.gz Searching for duplicated docs in dependency libchemps2-1... symlinking changelog.Debian.gz in chemps2 to file in libchemps2-1 pkgstripfiles: PNG optimization for package chemps2 took 0 s dpkg-deb: building package 'chemps2' in '../chemps2_1.6-1build1_amd64.deb'. INFO: pkgstriptranslations version 122 pkgstriptranslations: processing python-chemps2 (in debian/python-chemps2); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/python-chemps2/DEBIAN/control, package python-chemps2, directory debian/python-chemps2 .. removing usr/share/doc/python-chemps2/changelog.gz Searching for duplicated docs in dependency libchemps2-1... symlinking changelog.Debian.gz in python-chemps2 to file in libchemps2-1 pkgstripfiles: PNG optimization for package python-chemps2 took 0 s dpkg-deb: building package 'python-chemps2' in '../python-chemps2_1.6-1build1_amd64.deb'. dpkg-genchanges -b -mLaunchpad Build Daemon >../chemps2_1.6-1build1_amd64.changes dpkg-genchanges: binary-only upload (no source code included) dpkg-source --after-build chemps2-1.6 dpkg-buildpackage: binary-only upload (no source included) ──────────────────────────────────────────────────────────────────────────────── Build finished at 20151006-1233 Finished ──────── I: Built successfully ┌──────────────────────────────────────────────────────────────────────────────┐ │ Post Build Chroot │ └──────────────────────────────────────────────────────────────────────────────┘ ┌──────────────────────────────────────────────────────────────────────────────┐ │ Changes │ └──────────────────────────────────────────────────────────────────────────────┘ chemps2_1.6-1build1_amd64.changes: ────────────────────────────────── Format: 1.8 Date: Tue, 06 Oct 2015 12:21:37 +0000 Source: chemps2 Binary: libchemps2-1 libchemps2-dev chemps2-doc chemps2 python-chemps2 Architecture: amd64 all Version: 1.6-1build1 Distribution: wily-proposed Urgency: medium Maintainer: Launchpad Build Daemon Changed-By: Matthias Klose Description: chemps2 - Executable to call libchemps2-1 from the command line chemps2-doc - Documentation of the libchemps2-1 package libchemps2-1 - Spin-adapted DMRG for ab initio quantum chemistry libchemps2-dev - C++ headers, static library, and symlink for libchemps2-1 python-chemps2 - Python 2 interface for libchemps2-1 Changes: chemps2 (1.6-1build1) wily; urgency=medium . * No-change rebuild for hdf5 soname change. Checksums-Sha1: 828efeaed1c001d970f7bc7490471425cf58e057 24870 chemps2-dbgsym_1.6-1build1_amd64.ddeb ef11e17fa9fbca3f3ac7eb69fbd18c92977d019b 102556 chemps2-doc_1.6-1build1_all.deb 97f2cd51d77082dfe6deae9fb75efa23974d3e23 11308 chemps2_1.6-1build1_amd64.deb 303c4a9932df972d2f1d19c3ff531aa90ab66e4c 625170 libchemps2-1-dbgsym_1.6-1build1_amd64.ddeb ba20d39c0ceadcbdd814170d675eedde48ec6611 321366 libchemps2-1_1.6-1build1_amd64.deb 51c0fa1a8051349190f8460842293cf4aedb9766 5230418 libchemps2-dev_1.6-1build1_amd64.deb 8adeec15c4af42ec75f6fc030bd4af69dbd46a76 204560 python-chemps2-dbgsym_1.6-1build1_amd64.ddeb 9722a215f69d7f39ce1798ab136ab462092f0120 69574 python-chemps2_1.6-1build1_amd64.deb Checksums-Sha256: a86827168651802a442e5ad67936d31a8291680a54f52b24c64d91841fb19d1b 24870 chemps2-dbgsym_1.6-1build1_amd64.ddeb 2d4747d71c903223f49fc0ff6bf8bfd15e652390eaf030cbd9aca2d5bb4214a3 102556 chemps2-doc_1.6-1build1_all.deb a393f39ada800109bf3a349a954996512edf153bbffd4b431f584793c9c54ede 11308 chemps2_1.6-1build1_amd64.deb 29d493375e589ff62dfce06efede7ca687043210062ed77c87266ed30531168e 625170 libchemps2-1-dbgsym_1.6-1build1_amd64.ddeb 26bdbadabeff5911421f4516209eabc4ce18789a869b5e3a00b5da437029dbda 321366 libchemps2-1_1.6-1build1_amd64.deb 507ac81afd0ce2ae6fb072ff714923a24b9b9fec4895c7f4b303af56021e0dad 5230418 libchemps2-dev_1.6-1build1_amd64.deb c9143352e0ab3e2e5987ec7934292a5ca66f7daa9ea7c52eb80264188c12c9eb 204560 python-chemps2-dbgsym_1.6-1build1_amd64.ddeb 6be5e86a212529911128d988a68c0d23cb470d90fac466ad5ac01618dcadc080 69574 python-chemps2_1.6-1build1_amd64.deb Files: d2f2cae100876d852e9ece4e5997b534 24870 science extra chemps2-dbgsym_1.6-1build1_amd64.ddeb b694a3f532ab746000ad3f7dc13a71cc 102556 doc optional chemps2-doc_1.6-1build1_all.deb f5d7b7b1269a0e0c11e4d4662870b265 11308 science optional chemps2_1.6-1build1_amd64.deb 0b533b055f8a5893ead2ff56b7937ffb 625170 libs extra libchemps2-1-dbgsym_1.6-1build1_amd64.ddeb d3be1e66fbaeee7ed1b7ebabfc886c48 321366 libs optional libchemps2-1_1.6-1build1_amd64.deb 3d51e8f70e61db0283a3a794726bac34 5230418 libdevel optional libchemps2-dev_1.6-1build1_amd64.deb ca126aec5e747a3e9267ef88cb747455 204560 python extra python-chemps2-dbgsym_1.6-1build1_amd64.ddeb 2f55cc3410599aa3556b97f72e236784 69574 python optional python-chemps2_1.6-1build1_amd64.deb ┌──────────────────────────────────────────────────────────────────────────────┐ │ Package contents │ └──────────────────────────────────────────────────────────────────────────────┘ chemps2-doc_1.6-1build1_all.deb ─────────────────────────────── new debian package, version 2.0. size 102556 bytes: control archive=2451 bytes. 1302 bytes, 28 lines control 4244 bytes, 51 lines md5sums Package: chemps2-doc Source: chemps2 Version: 1.6-1build1 Architecture: all Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 424 Section: doc Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Documentation of the libchemps2-1 package chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This is the common documentation package. drwxr-xr-x root/root 0 2015-10-06 12:33 ./ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc-base/ -rw-r--r-- root/root 282 2015-09-03 11:31 ./usr/share/doc-base/libchemps2-doc drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc/chemps2-doc/ lrwxrwxrwx root/root 0 2015-10-06 12:33 ./usr/share/doc/chemps2-doc/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 589 2015-10-06 12:21 ./usr/share/doc/chemps2-doc/changelog.Debian.gz -rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/chemps2-doc/copyright drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc/libchemps2/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc/libchemps2/html/ drwxr-xr-x root/root 0 2015-10-06 12:32 ./usr/share/doc/libchemps2/html/_images/ -rw-r--r-- root/root 6810 2015-08-26 22:55 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archive=1115 bytes. 1562 bytes, 31 lines control 116 bytes, 2 lines md5sums Package: chemps2 Version: 1.6-1build1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 39 Depends: libc6 (>= 2.14), libchemps2-1 (= 1.6-1build1), libgcc1 (>= 1:4.1.1), libstdc++6 (>= 5.2) Suggests: chemps2-doc Section: science Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Executable to call libchemps2-1 from the command line chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This package installs the executable which parses Hamiltonians in fcidump format, performs DMRG sweeps according to a user-defined convergence scheme, and writes the 2-RDM as output. drwxr-xr-x root/root 0 2015-10-06 12:33 ./ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/bin/ -rwxr-xr-x root/root 27272 2015-10-06 12:33 ./usr/bin/chemps2 drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc/chemps2/ lrwxrwxrwx root/root 0 2015-10-06 12:33 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2015-10-06 12:33 ./usr/share/doc/chemps2/changelog.Debian.gz -> ../libchemps2-1/changelog.Debian.gz -rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/chemps2/copyright libchemps2-1_1.6-1build1_amd64.deb ────────────────────────────────── new debian package, version 2.0. size 321366 bytes: control archive=8937 bytes. 1731 bytes, 34 lines control 367 bytes, 5 lines md5sums 135 bytes, 7 lines * postinst #!/bin/sh 132 bytes, 7 lines * postrm #!/bin/sh 26 bytes, 1 lines shlibs 56609 bytes, 1007 lines symbols Package: libchemps2-1 Source: chemps2 Version: 1.6-1build1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 1010 Depends: libatlas3-base, libc6 (>= 2.14), libgcc1 (>= 1:4.1.1), libgomp1 (>= 4.9), libgsl0ldbl (>= 1.9), libhdf5-10, liblapack3 | liblapack.so.3, libstdc++6 (>= 5.2) Suggests: chemps2-doc Section: libs Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Spin-adapted DMRG for ab initio quantum chemistry chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI): up to 40 electrons in 40 orbitals for general active spaces; and up to 100 electrons in 100 orbitals for one-dimensional active spaces, such as the pi-system of all-trans polyenes. . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This version of chemps2 is parallelized for shared memory architectures with OpenMP. drwxr-xr-x root/root 0 2015-10-06 12:33 ./ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/lib/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/lib/x86_64-linux-gnu/ -rw-r--r-- root/root 945184 2015-10-06 12:33 ./usr/lib/x86_64-linux-gnu/libchemps2.so.1 drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc/libchemps2-1/ lrwxrwxrwx root/root 0 2015-10-06 12:33 ./usr/share/doc/libchemps2-1/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 9159 2015-08-26 22:55 ./usr/share/doc/libchemps2-1/README.md.gz -rw-r--r-- root/root 589 2015-10-06 12:21 ./usr/share/doc/libchemps2-1/changelog.Debian.gz -rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/libchemps2-1/copyright drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/man/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/man/man1/ -rw-r--r-- root/root 2073 2015-10-06 12:33 ./usr/share/man/man1/chemps2.1.gz libchemps2-dev_1.6-1build1_amd64.deb ──────────────────────────────────── new debian package, version 2.0. size 5230418 bytes: control archive=2582 bytes. 1431 bytes, 31 lines control 3718 bytes, 56 lines md5sums Package: libchemps2-dev Source: chemps2 Version: 1.6-1build1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 6315 Depends: libchemps2-1 (= 1.6-1build1) Suggests: chemps2-doc Section: libdevel Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: C++ headers, static library, and symlink for libchemps2-1 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This package installs the C++ headers, static library, and symlink for libchemps2. drwxr-xr-x root/root 0 2015-10-06 12:33 ./ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/include/ drwxr-xr-x root/root 0 2015-10-06 12:32 ./usr/include/chemps2/ -rw-r--r-- root/root 25662 2015-08-26 22:55 ./usr/include/chemps2/CASSCF.h -rw-r--r-- root/root 4281 2015-08-26 22:55 ./usr/include/chemps2/ConvergenceScheme.h -rw-r--r-- root/root 14787 2015-08-26 22:55 ./usr/include/chemps2/Correlations.h -rw-r--r-- root/root 4535 2015-08-26 22:55 ./usr/include/chemps2/DIIS.h -rw-r--r-- root/root 11487 2015-08-26 22:55 ./usr/include/chemps2/DMRG.h -rw-r--r-- root/root 6463 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFVmatRotations.h -rw-r--r-- root/root 6028 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFindices.h -rw-r--r-- root/root 10507 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFintegrals.h -rw-r--r-- root/root 2708 2015-08-26 22:55 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root/root 0 2015-10-06 12:33 ./usr/share/doc/libchemps2-dev/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2015-10-06 12:33 ./usr/share/doc/libchemps2-dev/changelog.Debian.gz -> ../libchemps2-1/changelog.Debian.gz -rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/libchemps2-dev/copyright python-chemps2_1.6-1build1_amd64.deb ──────────────────────────────────── new debian package, version 2.0. size 69574 bytes: control archive=1481 bytes. 1537 bytes, 30 lines control 441 bytes, 5 lines md5sums 162 bytes, 9 lines * postinst #!/bin/sh 263 bytes, 14 lines * prerm #!/bin/sh Package: python-chemps2 Source: chemps2 Version: 1.6-1build1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 260 Depends: python-numpy (>= 1:1.8.0), python-numpy-abi9, python (<< 2.8), python (>= 2.7~), python:any (>= 2.7.5-5~), libc6 (>= 2.14), libchemps2-1 (= 1.6-1build1), libgcc1 (>= 1:4.1.1), libstdc++6 (>= 5.2) Suggests: chemps2-doc Section: python Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Python 2 interface for libchemps2-1 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This package installs the library for Python 2. drwxr-xr-x root/root 0 2015-10-06 12:33 ./ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/lib/ drwxr-xr-x root/root 0 2015-10-06 12:32 ./usr/lib/python2.7/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/lib/python2.7/dist-packages/ -rw-r--r-- root/root 793 2015-10-06 12:32 ./usr/lib/python2.7/dist-packages/CheMPS2-1.6.egg-info -rw-r--r-- root/root 237840 2015-10-06 12:33 ./usr/lib/python2.7/dist-packages/PyCheMPS2.x86_64-linux-gnu.so -rw-r--r-- root/root 4357 2015-08-26 22:55 ./usr/lib/python2.7/dist-packages/ReadinHamiltonianFCIDUMP.py -rw-r--r-- root/root 4425 2015-08-26 22:55 ./usr/lib/python2.7/dist-packages/ReadinHamiltonianPsi4.py drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc/ drwxr-xr-x root/root 0 2015-10-06 12:33 ./usr/share/doc/python-chemps2/ lrwxrwxrwx root/root 0 2015-10-06 12:33 ./usr/share/doc/python-chemps2/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2015-10-06 12:33 ./usr/share/doc/python-chemps2/changelog.Debian.gz -> ../libchemps2-1/changelog.Debian.gz -rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/python-chemps2/copyright ┌──────────────────────────────────────────────────────────────────────────────┐ │ Post Build │ └──────────────────────────────────────────────────────────────────────────────┘ ┌──────────────────────────────────────────────────────────────────────────────┐ │ Cleanup │ └──────────────────────────────────────────────────────────────────────────────┘ Not removing build depends: as requested Keeping session: ┌──────────────────────────────────────────────────────────────────────────────┐ │ Summary │ └──────────────────────────────────────────────────────────────────────────────┘ Build Architecture: amd64 Build-Space: 56940 Build-Time: 157 Distribution: wily-proposed Host Architecture: amd64 Install-Time: 45 Job: chemps2_1.6-1build1.dsc Machine Architecture: amd64 Package: chemps2 Package-Time: 203 Source-Version: 1.6-1build1 Space: 56940 Status: successful Version: 1.6-1build1 ──────────────────────────────────────────────────────────────────────────────── Finished at 20151006-1233 Build needed 00:03:23, 56940k disc space RUN: /usr/share/launchpad-buildd/slavebin/scan-for-processes ['scan-for-processes', 'PACKAGEBUILD-8092868'] Scanning for processes to kill in build /home/buildd/build-PACKAGEBUILD-8092868/chroot-autobuild... RUN: /usr/share/launchpad-buildd/slavebin/umount-chroot ['umount-chroot', 'PACKAGEBUILD-8092868'] Unmounting chroot for build PACKAGEBUILD-8092868... RUN: /usr/share/launchpad-buildd/slavebin/remove-build ['remove-build', 'PACKAGEBUILD-8092868'] Removing build PACKAGEBUILD-8092868