RUN: /usr/share/launchpad-buildd/slavebin/slave-prep ['slave-prep'] Forking launchpad-buildd slave process... Kernel version: Linux lgw01-24 4.4.0-47-generic #68-Ubuntu SMP Wed Oct 26 19:39:52 UTC 2016 x86_64 Buildd toolchain package versions: launchpad-buildd_140 python-lpbuildd_140 sbuild_0.67.0-2ubuntu7 bzr-builder_0.7.3+bzr174~ppa13~ubuntu14.10.1 bzr_2.7.0-2ubuntu3 git-build-recipe_0.3.2 git_1:2.7.4-0ubuntu1 dpkg-dev_1.18.4ubuntu1.1 python-debian_0.1.27ubuntu2 qemu-user-static_1:2.5+dfsg-5ubuntu10.6. Syncing the system clock with the buildd NTP service... 17 Nov 23:19:32 ntpdate[1746]: adjust time server 10.211.37.1 offset 0.000218 sec RUN: /usr/share/launchpad-buildd/slavebin/unpack-chroot ['unpack-chroot', 'PACKAGEBUILD-11220252', '/home/buildd/filecache-default/94f0b0f826e99ad354ce9a7a99ba3c310ddcc327'] Unpacking chroot for build PACKAGEBUILD-11220252 RUN: /usr/share/launchpad-buildd/slavebin/mount-chroot ['mount-chroot', 'PACKAGEBUILD-11220252'] Mounting chroot for build PACKAGEBUILD-11220252 RUN: /usr/share/launchpad-buildd/slavebin/override-sources-list ['override-sources-list', 'PACKAGEBUILD-11220252', 'deb http://ftpmaster.internal/ubuntu zesty main universe', 'deb http://ftpmaster.internal/ubuntu zesty-security main universe', 'deb http://ftpmaster.internal/ubuntu zesty-updates main universe', 'deb http://ftpmaster.internal/ubuntu zesty-proposed main universe'] Overriding sources.list in build-PACKAGEBUILD-11220252 RUN: /usr/share/launchpad-buildd/slavebin/update-debian-chroot ['update-debian-chroot', 'PACKAGEBUILD-11220252', 'amd64'] Updating debian chroot for build PACKAGEBUILD-11220252 Get:1 http://ftpmaster.internal/ubuntu zesty InRelease [247 kB] Get:2 http://ftpmaster.internal/ubuntu zesty-security InRelease [92.2 kB] Get:3 http://ftpmaster.internal/ubuntu zesty-updates InRelease [92.1 kB] Get:4 http://ftpmaster.internal/ubuntu zesty-proposed InRelease [95.6 kB] Get:5 http://ftpmaster.internal/ubuntu zesty/main amd64 Packages [1233 kB] Get:6 http://ftpmaster.internal/ubuntu zesty/main Translation-en [585 kB] Get:7 http://ftpmaster.internal/ubuntu zesty/universe amd64 Packages [7887 kB] Get:8 http://ftpmaster.internal/ubuntu zesty/universe Translation-en [4578 kB] Get:9 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 Packages [94.0 kB] Get:10 http://ftpmaster.internal/ubuntu zesty-proposed/main Translation-en [52.2 kB] Get:11 http://ftpmaster.internal/ubuntu zesty-proposed/universe amd64 Packages [453 kB] Get:12 http://ftpmaster.internal/ubuntu zesty-proposed/universe Translation-en [245 kB] Fetched 15.7 MB in 46s (339 kB/s) Reading package lists... Reading package lists... Building dependency tree... Reading state information... Calculating upgrade... The following packages were automatically installed and are no longer required: libperl5.22 perl-modules-5.22 Use 'sudo apt autoremove' to remove them. The following NEW packages will be installed: libperl5.24 perl-modules-5.24 The following packages will be upgraded: adduser base-files base-passwd bash binutils bsdutils cpp-6 diffutils dmsetup findutils g++-6 gcc-6 gcc-6-base grep init init-system-helpers libapparmor1 libasan3 libasn1-8-heimdal libassuan0 libatomic1 libblkid1 libcc1-0 libcilkrts5 libcurl3-gnutls libdevmapper1.02.1 libfdisk1 libgcc-6-dev libgcc1 libgcrypt20 libgnutls30 libgomp1 libgpg-error0 libgssapi-krb5-2 libgssapi3-heimdal libhcrypto4-heimdal libheimbase1-heimdal libheimntlm0-heimdal libhogweed4 libhx509-5-heimdal libitm1 libk5crypto3 libkrb5-26-heimdal libkrb5-3 libkrb5support0 libksba8 libldap-2.4-2 liblsan0 liblzma5 libmount1 libmpx2 libnettle6 libpng16-16 libquadmath0 libroken18-heimdal libsasl2-2 libsasl2-modules-db libselinux1 libsemanage-common libsemanage1 libsepol1 libslang2 libsmartcols1 libsqlite3-0 libssl1.0.0 libstdc++-6-dev libstdc++6 libsystemd0 libtsan0 libubsan0 libudev1 libuuid1 libwind0-heimdal linux-libc-dev mount openssl perl perl-base pinentry-curses pkg-create-dbgsym systemd systemd-sysv tar tzdata ubuntu-keyring util-linux xz-utils 87 upgraded, 2 newly installed, 0 to remove and 0 not upgraded. Need to get 50.2 MB of archives. After this operation, 40.8 MB of additional disk space will be used. Get:1 http://ftpmaster.internal/ubuntu zesty/main amd64 base-files amd64 9.6ubuntu7 [56.6 kB] Get:2 http://ftpmaster.internal/ubuntu zesty/main amd64 bash amd64 4.4-2ubuntu1 [624 kB] Get:3 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 bsdutils amd64 1:2.29-1ubuntu2 [55.3 kB] Get:4 http://ftpmaster.internal/ubuntu zesty/main amd64 diffutils amd64 1:3.5-1 [166 kB] Get:5 http://ftpmaster.internal/ubuntu zesty/main amd64 findutils amd64 4.6.0+git+20161106-1 [282 kB] Get:6 http://ftpmaster.internal/ubuntu zesty/main amd64 grep amd64 2.26-1 [153 kB] Get:7 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libuuid1 amd64 2.29-1ubuntu2 [14.7 kB] Get:8 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libblkid1 amd64 2.29-1ubuntu2 [110 kB] Get:9 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libfdisk1 amd64 2.29-1ubuntu2 [144 kB] Get:10 http://ftpmaster.internal/ubuntu zesty/main amd64 libselinux1 amd64 2.6-3 [67.8 kB] Get:11 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 util-linux amd64 2.29-1ubuntu2 [911 kB] Get:12 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 mount amd64 2.29-1ubuntu2 [129 kB] Get:13 http://ftpmaster.internal/ubuntu zesty/main amd64 perl-modules-5.24 all 5.24.1~rc3-3 [2661 kB] Get:14 http://ftpmaster.internal/ubuntu zesty/main amd64 libperl5.24 amd64 5.24.1~rc3-3 [3466 kB] Get:15 http://ftpmaster.internal/ubuntu zesty/main amd64 perl amd64 5.24.1~rc3-3 [237 kB] Get:16 http://ftpmaster.internal/ubuntu zesty/main amd64 perl-base amd64 5.24.1~rc3-3 [1341 kB] Get:17 http://ftpmaster.internal/ubuntu zesty/main amd64 tar amd64 1.29b-1.1 [232 kB] Get:18 http://ftpmaster.internal/ubuntu zesty/main amd64 base-passwd amd64 3.5.41 [48.4 kB] Get:19 http://ftpmaster.internal/ubuntu zesty/main amd64 init-system-helpers all 1.46 [37.3 kB] Get:20 http://ftpmaster.internal/ubuntu zesty/main amd64 libapparmor1 amd64 2.10.95-4ubuntu5.2 [30.2 kB] Get:21 http://ftpmaster.internal/ubuntu zesty/main amd64 libgpg-error0 amd64 1.25-1 [34.4 kB] Get:22 http://ftpmaster.internal/ubuntu zesty/main amd64 libgcrypt20 amd64 1.7.3-2 [398 kB] Get:23 http://ftpmaster.internal/ubuntu zesty/main amd64 liblzma5 amd64 5.2.2-1.2 [91.0 kB] Get:24 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libmount1 amd64 2.29-1ubuntu2 [119 kB] Get:25 http://ftpmaster.internal/ubuntu zesty/main amd64 adduser all 3.113+nmu3ubuntu5 [161 kB] Get:26 http://ftpmaster.internal/ubuntu zesty/main amd64 systemd amd64 232-3 [2354 kB] Get:27 http://ftpmaster.internal/ubuntu zesty/main amd64 libsystemd0 amd64 232-3 [211 kB] Get:28 http://ftpmaster.internal/ubuntu zesty/main amd64 init amd64 1.46 [5320 B] Get:29 http://ftpmaster.internal/ubuntu zesty/main amd64 systemd-sysv amd64 232-3 [13.5 kB] Get:30 http://ftpmaster.internal/ubuntu zesty/main amd64 libquadmath0 amd64 6.2.0-13ubuntu1 [132 kB] Get:31 http://ftpmaster.internal/ubuntu zesty/main amd64 libitm1 amd64 6.2.0-13ubuntu1 [27.9 kB] Get:32 http://ftpmaster.internal/ubuntu zesty/main amd64 libcc1-0 amd64 6.2.0-13ubuntu1 [31.1 kB] Get:33 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 binutils amd64 2.27.51.20161116-2ubuntu1 [2423 kB] Get:34 http://ftpmaster.internal/ubuntu zesty/main amd64 libgomp1 amd64 6.2.0-13ubuntu1 [74.0 kB] Get:35 http://ftpmaster.internal/ubuntu zesty/main amd64 libatomic1 amd64 6.2.0-13ubuntu1 [9146 B] Get:36 http://ftpmaster.internal/ubuntu zesty/main amd64 libasan3 amd64 6.2.0-13ubuntu1 [308 kB] Get:37 http://ftpmaster.internal/ubuntu zesty/main amd64 liblsan0 amd64 6.2.0-13ubuntu1 [117 kB] Get:38 http://ftpmaster.internal/ubuntu zesty/main amd64 libtsan0 amd64 6.2.0-13ubuntu1 [261 kB] Get:39 http://ftpmaster.internal/ubuntu zesty/main amd64 libubsan0 amd64 6.2.0-13ubuntu1 [108 kB] Get:40 http://ftpmaster.internal/ubuntu zesty/main amd64 libcilkrts5 amd64 6.2.0-13ubuntu1 [40.8 kB] Get:41 http://ftpmaster.internal/ubuntu zesty/main amd64 libmpx2 amd64 6.2.0-13ubuntu1 [11.4 kB] Get:42 http://ftpmaster.internal/ubuntu zesty/main amd64 gcc-6-base amd64 6.2.0-13ubuntu1 [17.2 kB] Get:43 http://ftpmaster.internal/ubuntu zesty/main amd64 libstdc++6 amd64 6.2.0-13ubuntu1 [401 kB] Get:44 http://ftpmaster.internal/ubuntu zesty/main amd64 g++-6 amd64 6.2.0-13ubuntu1 [7383 kB] Get:45 http://ftpmaster.internal/ubuntu zesty/main amd64 libstdc++-6-dev amd64 6.2.0-13ubuntu1 [1418 kB] Get:46 http://ftpmaster.internal/ubuntu zesty/main amd64 libgcc-6-dev amd64 6.2.0-13ubuntu1 [2306 kB] Get:47 http://ftpmaster.internal/ubuntu zesty/main amd64 gcc-6 amd64 6.2.0-13ubuntu1 [7157 kB] Get:48 http://ftpmaster.internal/ubuntu zesty/main amd64 cpp-6 amd64 6.2.0-13ubuntu1 [6607 kB] Get:49 http://ftpmaster.internal/ubuntu zesty/main amd64 libgcc1 amd64 1:6.2.0-13ubuntu1 [38.0 kB] Get:50 http://ftpmaster.internal/ubuntu zesty/main amd64 libsepol1 amd64 2.6-1 [220 kB] Get:51 http://ftpmaster.internal/ubuntu zesty/main amd64 libsemanage-common all 2.6-1 [6832 B] Get:52 http://ftpmaster.internal/ubuntu zesty/main amd64 libsemanage1 amd64 2.6-1 [82.6 kB] Get:53 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libsmartcols1 amd64 2.29-1ubuntu2 [69.4 kB] Get:54 http://ftpmaster.internal/ubuntu zesty/main amd64 libudev1 amd64 232-3 [56.9 kB] Get:55 http://ftpmaster.internal/ubuntu zesty/main amd64 ubuntu-keyring all 2016.10.27 [16.6 kB] Get:56 http://ftpmaster.internal/ubuntu zesty/main amd64 tzdata all 2016i-1 [169 kB] Get:57 http://ftpmaster.internal/ubuntu zesty/main amd64 libdevmapper1.02.1 amd64 2:1.02.136-1ubuntu1 [135 kB] Get:58 http://ftpmaster.internal/ubuntu zesty/main amd64 dmsetup amd64 2:1.02.136-1ubuntu1 [71.7 kB] Get:59 http://ftpmaster.internal/ubuntu zesty/main amd64 libroken18-heimdal amd64 1.7~git20160703+dfsg-1ubuntu1 [40.9 kB] Get:60 http://ftpmaster.internal/ubuntu zesty/main amd64 libasn1-8-heimdal amd64 1.7~git20160703+dfsg-1ubuntu1 [176 kB] Get:61 http://ftpmaster.internal/ubuntu zesty/main amd64 libassuan0 amd64 2.4.3-2 [34.5 kB] Get:62 http://ftpmaster.internal/ubuntu zesty/main amd64 libhogweed4 amd64 3.3-1 [135 kB] Get:63 http://ftpmaster.internal/ubuntu zesty/main amd64 libnettle6 amd64 3.3-1 [92.4 kB] Get:64 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libgnutls30 amd64 3.5.6-4ubuntu2 [626 kB] Get:65 http://ftpmaster.internal/ubuntu zesty/main amd64 libheimbase1-heimdal amd64 1.7~git20160703+dfsg-1ubuntu1 [29.2 kB] Get:66 http://ftpmaster.internal/ubuntu zesty/main amd64 libhcrypto4-heimdal amd64 1.7~git20160703+dfsg-1ubuntu1 [87.2 kB] Get:67 http://ftpmaster.internal/ubuntu zesty/main amd64 libwind0-heimdal amd64 1.7~git20160703+dfsg-1ubuntu1 [48.0 kB] Get:68 http://ftpmaster.internal/ubuntu zesty/main amd64 libhx509-5-heimdal amd64 1.7~git20160703+dfsg-1ubuntu1 [107 kB] Get:69 http://ftpmaster.internal/ubuntu zesty/main amd64 libsqlite3-0 amd64 3.15.1-1 [485 kB] Get:70 http://ftpmaster.internal/ubuntu zesty/main amd64 libkrb5-26-heimdal amd64 1.7~git20160703+dfsg-1ubuntu1 [202 kB] Get:71 http://ftpmaster.internal/ubuntu zesty/main amd64 libheimntlm0-heimdal amd64 1.7~git20160703+dfsg-1ubuntu1 [15.2 kB] Get:72 http://ftpmaster.internal/ubuntu zesty/main amd64 libgssapi3-heimdal amd64 1.7~git20160703+dfsg-1ubuntu1 [96.8 kB] Get:73 http://ftpmaster.internal/ubuntu zesty/main amd64 libksba8 amd64 1.3.5-2 [92.6 kB] Get:74 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libsasl2-modules-db amd64 2.1.27~72-g88d82a3+dfsg-1 [15.1 kB] Get:75 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libsasl2-2 amd64 2.1.27~72-g88d82a3+dfsg-1 [48.8 kB] Get:76 http://ftpmaster.internal/ubuntu zesty/main amd64 libldap-2.4-2 amd64 2.4.42+dfsg-2ubuntu5 [161 kB] Get:77 http://ftpmaster.internal/ubuntu zesty/main amd64 libslang2 amd64 2.3.1-5ubuntu1 [422 kB] Get:78 http://ftpmaster.internal/ubuntu zesty/main amd64 libssl1.0.0 amd64 1.0.2g-1ubuntu10 [1082 kB] Get:79 http://ftpmaster.internal/ubuntu zesty/main amd64 pinentry-curses amd64 0.9.7-9 [31.9 kB] Get:80 http://ftpmaster.internal/ubuntu zesty/main amd64 xz-utils amd64 5.2.2-1.2 [83.2 kB] Get:81 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libgssapi-krb5-2 amd64 1.15~beta1-1 [120 kB] Get:82 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libkrb5-3 amd64 1.15~beta1-1 [274 kB] Get:83 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libkrb5support0 amd64 1.15~beta1-1 [31.8 kB] Get:84 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libk5crypto3 amd64 1.15~beta1-1 [83.9 kB] Get:85 http://ftpmaster.internal/ubuntu zesty/main amd64 libcurl3-gnutls amd64 7.51.0-1ubuntu1 [188 kB] Get:86 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 libpng16-16 amd64 1.6.26-2 [173 kB] Get:87 http://ftpmaster.internal/ubuntu zesty/main amd64 openssl amd64 1.0.2g-1ubuntu10 [491 kB] Get:88 http://ftpmaster.internal/ubuntu zesty-proposed/main amd64 linux-libc-dev amd64 4.9.0-1.2 [865 kB] Get:89 http://ftpmaster.internal/ubuntu zesty/main amd64 pkg-create-dbgsym all 0.73 [8952 B] debconf: delaying package configuration, since apt-utils is not installed Fetched 50.2 MB in 10s (4967 kB/s) (Reading database ... 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Setting up libquadmath0:amd64 (6.2.0-13ubuntu1) ... Setting up libgomp1:amd64 (6.2.0-13ubuntu1) ... Setting up libatomic1:amd64 (6.2.0-13ubuntu1) ... Setting up perl-modules-5.24 (5.24.1~rc3-3) ... Setting up libperl5.24:amd64 (5.24.1~rc3-3) ... Setting up libnettle6:amd64 (3.3-1) ... Setting up libcc1-0:amd64 (6.2.0-13ubuntu1) ... Setting up libasan3:amd64 (6.2.0-13ubuntu1) ... Setting up libssl1.0.0:amd64 (1.0.2g-1ubuntu10) ... Setting up libpng16-16:amd64 (1.6.26-2) ... Setting up libcilkrts5:amd64 (6.2.0-13ubuntu1) ... Setting up tzdata (2016i-1) ... Current default time zone: 'Etc/UTC' Local time is now: Thu Nov 17 23:22:06 UTC 2016. Universal Time is now: Thu Nov 17 23:22:06 UTC 2016. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up systemd-sysv (232-3) ... Setting up libubsan0:amd64 (6.2.0-13ubuntu1) ... Setting up libtsan0:amd64 (6.2.0-13ubuntu1) ... Setting up libsasl2-modules-db:amd64 (2.1.27~72-g88d82a3+dfsg-1) ... Setting up linux-libc-dev:amd64 (4.9.0-1.2) ... Setting up libsasl2-2:amd64 (2.1.27~72-g88d82a3+dfsg-1) ... Setting up libroken18-heimdal:amd64 (1.7~git20160703+dfsg-1ubuntu1) ... Setting up libksba8:amd64 (1.3.5-2) ... Setting up libdevmapper1.02.1:amd64 (2:1.02.136-1ubuntu1) ... Setting up libkrb5support0:amd64 (1.15~beta1-1) ... Setting up libhogweed4:amd64 (3.3-1) ... Setting up liblsan0:amd64 (6.2.0-13ubuntu1) ... Setting up perl (5.24.1~rc3-3) ... Installing new version of config file /etc/perl/sitecustomize.pl ... Setting up libmpx2:amd64 (6.2.0-13ubuntu1) ... Processing triggers for libc-bin (2.24-3ubuntu1) ... Setting up pkg-create-dbgsym (0.73) ... Setting up xz-utils (5.2.2-1.2) ... Setting up libheimbase1-heimdal:amd64 (1.7~git20160703+dfsg-1ubuntu1) ... Setting up openssl (1.0.2g-1ubuntu10) ... Setting up libsqlite3-0:amd64 (3.15.1-1) ... Setting up dmsetup (2:1.02.136-1ubuntu1) ... Setting up binutils (2.27.51.20161116-2ubuntu1) ... Setting up cpp-6 (6.2.0-13ubuntu1) ... 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Setting up libgssapi-krb5-2:amd64 (1.15~beta1-1) ... Setting up libgssapi3-heimdal:amd64 (1.7~git20160703+dfsg-1ubuntu1) ... Setting up libldap-2.4-2:amd64 (2.4.42+dfsg-2ubuntu5) ... Setting up libcurl3-gnutls:amd64 (7.51.0-1ubuntu1) ... Processing triggers for libc-bin (2.24-3ubuntu1) ... RUN: /usr/share/launchpad-buildd/slavebin/sbuild-package ['sbuild-package', 'PACKAGEBUILD-11220252', 'amd64', 'zesty-proposed', '-c', 'chroot:autobuild', '--arch=amd64', '--dist=zesty-proposed', '--purge=never', '--nolog', '-A', 'chemps2_1.8.3-1.dsc'] Initiating build PACKAGEBUILD-11220252 with 4 jobs across 4 processor cores. Kernel reported to sbuild: 4.4.0-47-generic #68-Ubuntu SMP Wed Oct 26 19:39:52 UTC 2016 x86_64 sbuild (Debian sbuild) 0.67.0 (26 Dec 2015) on lgw01-24.buildd +==============================================================================+ | chemps2 1.8.3-1 (amd64) 17 Nov 2016 23:22 | +==============================================================================+ Package: chemps2 Version: 1.8.3-1 Source Version: 1.8.3-1 Distribution: zesty-proposed Machine Architecture: amd64 Host Architecture: amd64 Build Architecture: amd64 I: NOTICE: Log filtering will replace 'build/chemps2-oVzDW_/chemps2-1.8.3' with '<>' I: NOTICE: Log filtering will replace 'build/chemps2-oVzDW_' with '<>' I: NOTICE: Log filtering will replace 'home/buildd/build-PACKAGEBUILD-11220252/chroot-autobuild' with '<>' +------------------------------------------------------------------------------+ | Fetch source files | +------------------------------------------------------------------------------+ Local sources ------------- chemps2_1.8.3-1.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 '/<>/resolver-ugkie0/apt_archive/sbuild-build-depends-core-dummy.deb'. Ign:1 copy:/<>/resolver-ugkie0/apt_archive ./ InRelease Get:2 copy:/<>/resolver-ugkie0/apt_archive ./ Release [2119 B] Ign:3 copy:/<>/resolver-ugkie0/apt_archive ./ Release.gpg Get:4 copy:/<>/resolver-ugkie0/apt_archive ./ Sources [214 B] Get:5 copy:/<>/resolver-ugkie0/apt_archive ./ Packages [524 B] Fetched 2857 B in 0s (213 kB/s) 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 packages were automatically installed and are no longer required: libperl5.22 perl-modules-5.22 Use 'sudo apt autoremove' to remove them. 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 770 B of archives. After this operation, 0 B of additional disk space will be used. Get:1 copy:/<>/resolver-ugkie0/apt_archive ./ sbuild-build-depends-core-dummy 0.invalid.0 [770 B] debconf: delaying package configuration, since apt-utils is not installed Fetched 770 B in 0s (0 B/s) Selecting previously unselected package sbuild-build-depends-core-dummy. (Reading database ... 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Merged Build-Depends: debhelper (>= 9), cmake (>= 2.8.11), libblas-dev, liblapack-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: debhelper (>= 9), cmake (>= 2.8.11), libblas-dev, liblapack-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 '/<>/resolver-0yQCAm/apt_archive/sbuild-build-depends-chemps2-dummy.deb'. Ign:1 copy:/<>/resolver-0yQCAm/apt_archive ./ InRelease Get:2 copy:/<>/resolver-0yQCAm/apt_archive ./ Release [2119 B] Ign:3 copy:/<>/resolver-0yQCAm/apt_archive ./ Release.gpg Get:4 copy:/<>/resolver-0yQCAm/apt_archive ./ Sources [322 B] Get:5 copy:/<>/resolver-0yQCAm/apt_archive ./ Packages [642 B] Fetched 3083 B in 0s (243 kB/s) 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 packages were automatically installed and are no longer required: libperl5.22 perl-modules-5.22 Use 'sudo apt autoremove' to remove them. The following additional packages will be installed: autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data cython debhelper dh-autoreconf dh-python dh-strip-nondeterminism docutils-common file fonts-mathjax gettext gettext-base gfortran gfortran-6 groff-base hdf5-helpers intltool-debian libaec-dev libaec0 libarchive-zip-perl libarchive13 libblas-common libblas-dev libblas3 libcroco3 libcurl3 libexpat1 libexpat1-dev libfile-stripnondeterminism-perl libgfortran-6-dev libgfortran3 libglib2.0-0 libhdf5-10 libhdf5-cpp-11 libhdf5-dev libicu57 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1 liblapack-dev liblapack3 liblzo2-2 libmagic-mgc libmagic1 libmpdec2 libpipeline1 libpython-dev libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib libpython3-stdlib libpython3.5-minimal libpython3.5-stdlib libsigsegv2 libsz2 libtimedate-perl libtool libunistring0 libuv1 libxml2 m4 man-db mime-support po-debconf python python-alabaster python-all python-babel python-babel-localedata python-docutils python-imagesize python-jinja2 python-markupsafe python-minimal python-numpy python-pkg-resources python-pygments python-roman python-setuptools python-six python-sphinx python-tz python2.7 python2.7-minimal python3 python3-minimal python3.5 python3.5-minimal sgml-base sphinx-common xml-core zlib1g-dev Suggested packages: autoconf-archive gnu-standards autoconf-doc wamerican | wordlist whois vacation codeblocks eclipse ninja-build cython-doc dh-make gettext-doc libasprintf-dev libgettextpo-dev gfortran-multilib gfortran-doc gfortran-6-multilib gfortran-6-doc libgfortran3-dbg libcoarrays-dev groff lrzip liblapack-doc-man liblapack-doc libhdf5-doc fonts-mathjax-extras fonts-stix libjs-mathjax-doc libtool-doc gcj-jdk less www-browser libmail-box-perl python-doc python-tk fonts-linuxlibertine | ttf-linux-libertine texlive-lang-french texlive-latex-base texlive-latex-recommended python-jinja2-doc python-dev python-nose python-numpy-dbg python-numpy-doc ttf-bitstream-vera python-setuptools-doc python-sphinx-rtd-theme dvipng texlive-latex-extra texlive-fonts-recommended texlive-generic-extra sphinx-doc python2.7-doc binfmt-support python3-doc python3-tk python3-venv python3.5-venv python3.5-doc sgml-base-doc Recommended packages: python-dev curl | wget | lynx-cur libglib2.0-data shared-mime-info xdg-user-dirs javascript-common libltdl-dev libmail-sendmail-perl docutils-doc libpaper-utils python-pil python-chardet The following NEW packages will be installed: autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data cython debhelper dh-autoreconf dh-python dh-strip-nondeterminism docutils-common file fonts-mathjax gettext gettext-base gfortran gfortran-6 groff-base hdf5-helpers intltool-debian libaec-dev libaec0 libarchive-zip-perl libarchive13 libblas-common libblas-dev libblas3 libcroco3 libcurl3 libexpat1 libexpat1-dev libfile-stripnondeterminism-perl libgfortran-6-dev libgfortran3 libglib2.0-0 libhdf5-10 libhdf5-cpp-11 libhdf5-dev libicu57 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1 liblapack-dev liblapack3 liblzo2-2 libmagic-mgc libmagic1 libmpdec2 libpipeline1 libpython-dev libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib libpython3-stdlib libpython3.5-minimal libpython3.5-stdlib libsigsegv2 libsz2 libtimedate-perl libtool libunistring0 libuv1 libxml2 m4 man-db mime-support po-debconf python python-alabaster python-all python-babel python-babel-localedata python-docutils python-imagesize python-jinja2 python-markupsafe python-minimal python-numpy python-pkg-resources python-pygments python-roman python-setuptools python-six python-sphinx python-tz python2.7 python2.7-minimal python3 python3-minimal python3.5 python3.5-minimal sbuild-build-depends-chemps2-dummy sgml-base sphinx-common xml-core zlib1g-dev 0 upgraded, 107 newly installed, 0 to remove and 0 not upgraded. Need to get 94.8 MB of archives. After this operation, 362 MB of additional disk space will be used. 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http://ftpmaster.internal/ubuntu zesty/main amd64 python-six all 1.10.0-3 [10.9 kB] Get:104 http://ftpmaster.internal/ubuntu zesty/universe amd64 python-alabaster all 0.7.8-1 [18.4 kB] Get:105 http://ftpmaster.internal/ubuntu zesty/main amd64 sphinx-common all 1.4.8-1 [349 kB] Get:106 http://ftpmaster.internal/ubuntu zesty/universe amd64 python-sphinx all 1.4.8-1 [431 kB] Get:107 http://ftpmaster.internal/ubuntu zesty/universe amd64 libjs-mathjax all 2.7.0-1 [5547 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 94.8 MB in 24s (3942 kB/s) Selecting previously unselected package libpython3.5-minimal:amd64. 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Setting up libjs-jquery (3.1.1-1) ... Setting up fonts-mathjax (2.7.0-1) ... Setting up libaec0:amd64 (0.3.2-1) ... Setting up libarchive-zip-perl (1.59-1) ... Setting up libjs-underscore (1.8.3~dfsg-1) ... Setting up mime-support (3.60ubuntu1) ... Setting up libjs-mathjax (2.7.0-1) ... Setting up libtimedate-perl (2.3000-2) ... Setting up libsigsegv2:amd64 (2.10-5) ... Setting up libcurl3:amd64 (7.51.0-1ubuntu1) ... Setting up libuv1:amd64 (1.9.1-3) ... Setting up libblas-common (3.6.1-2ubuntu1) ... Setting up libgfortran3:amd64 (6.2.0-13ubuntu1) ... Setting up groff-base (1.22.3-8) ... Setting up libglib2.0-0:amd64 (2.51.0-1) ... No schema files found: doing nothing. Setting up libgfortran-6-dev:amd64 (6.2.0-13ubuntu1) ... Setting up libjs-sphinxdoc (1.4.8-1) ... Setting up gettext-base (0.19.8.1-1ubuntu2) ... Setting up cmake-data (3.7.0-1ubuntu1) ... Setting up libjpeg-turbo8:amd64 (1.5.1-0ubuntu1) ... Setting up libpipeline1:amd64 (1.4.1-2) ... Setting up m4 (1.4.17-5) ... Setting up sgml-base (1.29) ... Setting up libicu57:amd64 (57.1-4) ... Setting up libxml2:amd64 (2.9.4+dfsg1-2.1) ... Setting up libmagic-mgc (1:5.29-1) ... Setting up libmagic1:amd64 (1:5.29-1) ... Setting up libcroco3:amd64 (0.6.11-2) ... Setting up libblas3 (3.6.1-2ubuntu1) ... update-alternatives: using /usr/lib/libblas/libblas.so.3 to provide /usr/lib/libblas.so.3 (libblas.so.3) in auto mode Setting up libjpeg-turbo8-dev:amd64 (1.5.1-0ubuntu1) ... Processing triggers for libc-bin (2.24-3ubuntu1) ... Setting up autotools-dev (20161112.1) ... Setting up libunistring0:amd64 (0.9.3-5.2ubuntu1) ... Setting up python-babel-localedata (2.3.4+dfsg.1-2) ... Setting up sphinx-common (1.4.8-1) ... Setting up libexpat1-dev:amd64 (2.2.0-1) ... Setting up xml-core (0.17) ... Setting up bsdmainutils (9.0.6ubuntu3) ... 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 hdf5-helpers (1.8.16+docs-8build2) ... Setting up libpython2.7-stdlib:amd64 (2.7.12-5) ... Setting up autopoint (0.19.8.1-1ubuntu2) ... Setting up libmpdec2:amd64 (2.4.2-1) ... Setting up liblzo2-2:amd64 (2.08-1.2) ... Setting up libsz2:amd64 (0.3.2-1) ... Setting up zlib1g-dev:amd64 (1:1.2.8.dfsg-2ubuntu5) ... Setting up libfile-stripnondeterminism-perl (0.028-1) ... Setting up libjpeg8:amd64 (8c-2ubuntu8) ... Setting up libjsoncpp1:amd64 (1.7.4-3) ... Setting up gfortran-6 (6.2.0-13ubuntu1) ... Setting up libhdf5-10:amd64 (1.8.16+docs-8build2) ... Setting up libhdf5-cpp-11:amd64 (1.8.16+docs-8build2) ... Setting up gettext (0.19.8.1-1ubuntu2) ... Setting up libarchive13:amd64 (3.2.1-5) ... Setting up liblapack3 (3.6.1-2ubuntu1) ... update-alternatives: using /usr/lib/lapack/liblapack.so.3 to provide /usr/lib/liblapack.so.3 (liblapack.so.3) in auto mode Setting up libpython3.5-stdlib:amd64 (3.5.2-7) ... Setting up libaec-dev:amd64 (0.3.2-1) ... Setting up python2.7 (2.7.12-5) ... Setting up libhdf5-dev (1.8.16+docs-8build2) ... 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 autoconf (2.69-10) ... Setting up file (1:5.29-1) ... Setting up libpython-stdlib:amd64 (2.7.11-2) ... Setting up intltool-debian (0.35.0+20060710.4) ... Setting up libjpeg8-dev:amd64 (8c-2ubuntu8) ... Setting up libjpeg-dev:amd64 (8c-2ubuntu8) ... Setting up libpython2.7:amd64 (2.7.12-5) ... Setting up automake (1:1.15-4ubuntu1) ... update-alternatives: using /usr/bin/automake-1.15 to provide /usr/bin/automake (automake) in auto mode Setting up man-db (2.7.5-1) ... Not building database; man-db/auto-update is not 'true'. Setting up libpython2.7-dev:amd64 (2.7.12-5) ... Setting up cmake (3.7.0-1ubuntu1) ... Setting up python (2.7.11-2) ... Setting up libtool (2.4.6-2) ... Setting up python3.5 (3.5.2-7) ... Setting up gfortran (4:6.1.1-1ubuntu2) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up libpython3-stdlib:amd64 (3.5.1-4) ... Setting up libpython-dev:amd64 (2.7.11-2) ... Setting up po-debconf (1.0.20) ... Setting up libblas-dev (3.6.1-2ubuntu1) ... update-alternatives: using /usr/lib/libblas/libblas.so to provide /usr/lib/libblas.so (libblas.so) in auto mode Setting up python-tz (2014.10~dfsg1-0ubuntu2) ... Setting up python-imagesize (0.7.1-1) ... Setting up python-alabaster (0.7.8-1) ... Setting up python-pkg-resources (28.7.1-1) ... Setting up python-roman (2.0.0-2) ... Setting up python-markupsafe (0.23-3) ... Setting up python-numpy (1:1.11.1~rc1-1ubuntu1) ... Setting up cython (0.24.1-2) ... Setting up python-six (1.10.0-3) ... Setting up python-pygments (2.1.3+dfsg-1) ... Setting up python-all (2.7.11-2) ... Setting up liblapack-dev (3.6.1-2ubuntu1) ... update-alternatives: using /usr/lib/lapack/liblapack.so to provide /usr/lib/liblapack.so (liblapack.so) in auto mode Setting up python-setuptools (28.7.1-1) ... Setting up python-jinja2 (2.8-1) ... Setting up python-babel (2.3.4+dfsg.1-2) ... update-alternatives: using /usr/bin/pybabel-python2 to provide /usr/bin/pybabel (pybabel) in auto mode Processing triggers for sgml-base (1.29) ... Setting up docutils-common (0.12+dfsg-2) ... Processing triggers for sgml-base (1.29) ... Setting up python-docutils (0.12+dfsg-2) ... 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 (1.4.8-1) ... Setting up dh-python (2.20160818) ... Setting up dh-autoreconf (12) ... Setting up python3 (3.5.1-4) ... Setting up debhelper (10.2.2ubuntu1) ... Setting up sbuild-build-depends-chemps2-dummy (0.invalid.0) ... Setting up dh-strip-nondeterminism (0.028-1) ... Processing triggers for libc-bin (2.24-3ubuntu1) ... +------------------------------------------------------------------------------+ | Build environment | +------------------------------------------------------------------------------+ Kernel: Linux 4.4.0-47-generic amd64 (x86_64) Toolchain package versions: binutils_2.27.51.20161116-2ubuntu1 dpkg-dev_1.18.10ubuntu1 g++-6_6.2.0-13ubuntu1 gcc-6_6.2.0-13ubuntu1 libc6-dev_2.24-3ubuntu1 libstdc++-6-dev_6.2.0-13ubuntu1 libstdc++6_6.2.0-13ubuntu1 linux-libc-dev_4.9.0-1.2 Package versions: adduser_3.113+nmu3ubuntu5 advancecomp_1.20-1 apt_1.3.1 apt-transport-https_1.3.1 autoconf_2.69-10 automake_1:1.15-4ubuntu1 autopoint_0.19.8.1-1ubuntu2 autotools-dev_20161112.1 base-files_9.6ubuntu7 base-passwd_3.5.41 bash_4.4-2ubuntu1 binutils_2.27.51.20161116-2ubuntu1 bsdmainutils_9.0.6ubuntu3 bsdutils_1:2.29-1ubuntu2 build-essential_12.1ubuntu2 bzip2_1.0.6-8build1 ca-certificates_20160104ubuntu1 cmake_3.7.0-1ubuntu1 cmake-data_3.7.0-1ubuntu1 coreutils_8.25-2ubuntu2 cpp_4:6.1.1-1ubuntu2 cpp-6_6.2.0-13ubuntu1 cython_0.24.1-2 dash_0.5.8-2.3ubuntu1 debconf_1.5.59ubuntu1 debhelper_10.2.2ubuntu1 debianutils_4.8 dh-autoreconf_12 dh-python_2.20160818 dh-strip-nondeterminism_0.028-1 diffutils_1:3.5-1 dmsetup_2:1.02.136-1ubuntu1 docutils-common_0.12+dfsg-2 dpkg_1.18.10ubuntu1 dpkg-dev_1.18.10ubuntu1 e2fslibs_1.43.3-1 e2fsprogs_1.43.3-1 fakeroot_1.21-1ubuntu2 file_1:5.29-1 findutils_4.6.0+git+20161106-1 fonts-mathjax_2.7.0-1 g++_4:6.1.1-1ubuntu2 g++-6_6.2.0-13ubuntu1 gcc_4:6.1.1-1ubuntu2 gcc-6_6.2.0-13ubuntu1 gcc-6-base_6.2.0-13ubuntu1 gettext_0.19.8.1-1ubuntu2 gettext-base_0.19.8.1-1ubuntu2 gfortran_4:6.1.1-1ubuntu2 gfortran-6_6.2.0-13ubuntu1 gnupg_2.1.15-1ubuntu6 gnupg-agent_2.1.15-1ubuntu6 gpgv_2.1.15-1ubuntu6 grep_2.26-1 groff-base_1.22.3-8 gzip_1.6-4ubuntu1 hdf5-helpers_1.8.16+docs-8build2 hostname_3.18 init_1.46 init-system-helpers_1.46 initscripts_2.88dsf-59.3ubuntu2 insserv_1.14.0-5ubuntu3 intltool-debian_0.35.0+20060710.4 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+------------------------------------------------------------------------------+ Unpack source ------------- gpgv: Signature made Thu Nov 17 09:28:51 2016 UTC gpgv: using RSA key gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./chemps2_1.8.3-1.dsc dpkg-source: info: extracting chemps2 in chemps2-1.8.3 dpkg-source: info: unpacking chemps2_1.8.3.orig.tar.gz dpkg-source: info: unpacking chemps2_1.8.3-1.debian.tar.xz Check disc space ---------------- Sufficient free space for build User Environment ---------------- APT_CONFIG=/var/lib/sbuild/apt.conf DEB_BUILD_OPTIONS=parallel=4 HOME=/home/buildd LANG=C.UTF-8 LC_ALL=C.UTF-8 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=/<> SHELL=/bin/sh SUDO_COMMAND=/usr/sbin/chroot /<> su buildd -s /bin/sh -c cd '/<>' && 'env' SUDO_GID=2501 SUDO_UID=2001 SUDO_USER=buildd TERM=unknown USER=buildd USERNAME=root dpkg-buildpackage ----------------- dpkg-buildpackage: info: source package chemps2 dpkg-buildpackage: info: source version 1.8.3-1 dpkg-buildpackage: info: source distribution unstable dpkg-source --before-build chemps2-1.8.3 dpkg-buildpackage: info: 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 '/<>' dh_clean rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc make[1]: Leaving directory '/<>' debian/rules build dh build --with python2 dh_testdir dh_update_autotools_config debian/rules override_dh_auto_configure make[1]: Entering directory '/<>' dh_auto_configure -- -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu \ -DENABLE_XHOST=OFF \ -DBUILD_SPHINX=ON \ -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial \ -DCMAKE_BUILD_TYPE=release cmake .. -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu -DENABLE_XHOST=OFF -DBUILD_SPHINX=ON -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial -DCMAKE_BUILD_TYPE=release -- The C compiler identification is GNU 6.2.0 -- The CXX compiler identification is GNU 6.2.0 -- 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 -- The CMake build type is release -- 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 sgemm_ -- Looking for sgemm_ - found -- Looking for pthread.h -- Looking for 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. -- HDF5: Using hdf5 compiler wrapper to determine C configuration -- Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libsz.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 (found version "1.8.16") -- Found Sphinx: /usr/bin/sphinx-build -- Configuring 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CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o [ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o [ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o [ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o [ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o [ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o [ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o [ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o [ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o [ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o [ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o [ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o [ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o [ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o [ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o [ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o [ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o [ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o [ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o [ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o [ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o [ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o [ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o [ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o [ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o [ 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plugin needed to handle lto object /usr/bin/ranlib: TensorOperator.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorQ.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorS0.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorS1.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: ThreeDM.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TwoDM.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TwoIndex.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: Wigner.cpp.o: plugin needed to handle lto object make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 66%] Built target chemps2-static make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' Scanning dependencies of target chemps2-shared make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory 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Leaving directory '/<>/obj-x86_64-linux-gnu' [100%] Built target test8 make[3]: Leaving directory '/<>/obj-x86_64-linux-gnu' make[2]: Leaving directory '/<>/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 Running Sphinx v1.4.8 making output directory... loading pickled environment... not yet created building [mo]: targets for 0 po files that are out of date building [html]: targets for 13 source files that are out of date updating environment: 13 added, 0 changed, 0 removed reading sources... [ 7%] caspt2 reading sources... [ 15%] dmrgscf reading sources... [ 23%] dmrgscfcalcs reading sources... [ 30%] handson reading sources... [ 38%] index reading sources... [ 46%] inoutput reading sources... [ 53%] interfaces reading sources... [ 61%] matrixelements reading sources... [ 69%] method reading sources... [ 76%] publications reading sources... [ 84%] resources reading sources... [ 92%] sourcecode reading sources... [100%] symmetry looking for now-outdated files... none found pickling environment... done checking consistency... done preparing documents... done writing output... [ 7%] caspt2 writing output... [ 15%] dmrgscf writing output... [ 23%] dmrgscfcalcs writing output... [ 30%] handson writing output... [ 38%] index writing output... [ 46%] inoutput writing output... [ 53%] interfaces writing output... [ 61%] matrixelements writing output... [ 69%] method writing output... [ 76%] publications writing output... [ 84%] resources writing output... [ 92%] sourcecode writing output... [100%] symmetry generating indices... genindex writing additional pages... search copying images... [ 12%] Comparison.png copying images... [ 25%] handson_orbitals.png copying images... [ 37%] single_node_h2o.png copying images... [ 50%] ComparisonN2.png copying images... [ 62%] handson_comparison.png copying images... [ 75%] ExtrapolationN2reorder.png copying images... [ 87%] polyene_scaling.png copying images... [100%] multi_node_h2o.png copying static files... done copying extra files... done dumping search index in English (code: en) ... 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 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -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:1777:0, from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarrayobject.h:18, from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from PyCheMPS2.cpp:283: /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 " \ ^~~~~~~ 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 -Wdate-time -D_FORTIFY_SOURCE=2 -g -fdebug-prefix-map=/build/python2.7-1IYRaY/python2.7-2.7.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-Bsymbolic-functions -Wl,-z,relro -g -O2 -fdebug-prefix-map=/<>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -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 '/<>' debian/rules override_dh_auto_test make[1]: Entering directory '/<>' cd obj-x86_64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /<>/obj-x86_64-linux-gnu Start 3: test3 1/3 Test #3: test3 ............................ Passed 0.89 sec Start 5: test5 2/3 Test #5: test5 ............................ Passed 2.59 sec Start 8: test8 3/3 Test #8: test8 ............................ Passed 1.66 sec 100% tests passed, 0 tests failed out of 3 Total Test time (real) = 5.15 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 CheMPS2::Hamiltonian : Reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP CheMPS2::Hamiltonian : Finished reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2016 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) = 9 Energy at sites (8, 9) is -104.138931453928 Stats: nIt(DAVIDSON) = 12 Energy at sites (7, 8) is -106.852464682181 Stats: nIt(DAVIDSON) = 61 Energy at sites (6, 7) is -106.894260385408 Stats: nIt(DAVIDSON) = 70 Energy at sites (5, 6) is -106.910436022254 Stats: nIt(DAVIDSON) = 40 Energy at sites (4, 5) is -107.632994526066 Stats: nIt(DAVIDSON) = 30 Energy at sites (3, 4) is -107.647986406513 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.647986406513 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.647986406513 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.573089 seconds *** |--> S.join = 0.00069 seconds *** |--> S.solve = 0.532762 seconds *** |--> S.split = 0.002643 seconds *** |--> Tensor update = 0.034809 seconds *** |--> create = 0.012485 seconds *** |--> destroy = 0.000843 seconds *** |--> disk write = 0.011162 seconds *** |--> disk read = 0.005754 seconds *** |--> calc = 0.004525 seconds *** Disk write bandwidth = 52.4960032416766 MB/s *** Disk read bandwidth = 102.180054007946 MB/s *** Minimum energy = -107.647986406513 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.647986406513 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.647986406513 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.647986406513 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.647986406513 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.648001730723 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250376064 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250376064 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250376064 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.180888 seconds *** |--> S.join = 0.000764 seconds *** |--> S.solve = 0.062035 seconds *** |--> S.split = 0.002154 seconds *** |--> Tensor update = 0.113031 seconds *** |--> create = 0.015864 seconds *** |--> destroy = 0.000826 seconds *** |--> disk write = 0.084975 seconds *** |--> disk read = 0.005638 seconds *** |--> calc = 0.005685 seconds *** Disk write bandwidth = 6.91902360413909 MB/s *** Disk read bandwidth = 103.930540649804 MB/s *** Minimum energy = -107.648250376064 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.648250376064 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.648250376064 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250376064 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250376064 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250376064 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.648250884714 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.648250972325 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250972325 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250972325 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.085432 seconds *** |--> S.join = 0.000805 seconds *** |--> S.solve = 0.035298 seconds *** |--> S.split = 0.002209 seconds *** |--> Tensor update = 0.044068 seconds *** |--> create = 0.019757 seconds *** |--> destroy = 0.000829 seconds *** |--> disk write = 0.011597 seconds *** |--> disk read = 0.005822 seconds *** |--> calc = 0.006018 seconds *** Disk write bandwidth = 50.5268938676894 MB/s *** Disk read bandwidth = 100.986607825785 MB/s *** Minimum energy = -107.648250972325 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250972325 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250972325 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250972325 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250972325 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.648250972379 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250974002 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250974002 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250974002 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.069692 seconds *** |--> S.join = 0.000858 seconds *** |--> S.solve = 0.024369 seconds *** |--> S.split = 0.002076 seconds *** |--> Tensor update = 0.039589 seconds *** |--> create = 0.016817 seconds *** |--> destroy = 0.0012 seconds *** |--> disk write = 0.01051 seconds *** |--> disk read = 0.006356 seconds *** |--> calc = 0.004665 seconds *** Disk write bandwidth = 55.9413920800874 MB/s *** Disk read bandwidth = 92.1901177129631 MB/s *** Minimum energy = -107.648250974002 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 5.97937770407952e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -107.648250974002 *** Minimum energy encountered during the last sweep = -107.648250974002 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 Energy at sites (8, 9) is -107.648250974003 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.648250974003 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.648250974004 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.648250974004 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -107.648250974009 Stats: nIt(DAVIDSON) = 11 Energy at sites (3, 4) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974014 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.174463 seconds *** |--> S.join = 0.00463 seconds *** |--> S.solve = 0.125415 seconds *** |--> S.split = 0.002272 seconds *** |--> Tensor update = 0.039524 seconds *** |--> create = 0.012986 seconds *** |--> destroy = 0.001137 seconds *** |--> disk write = 0.009444 seconds *** |--> disk read = 0.009421 seconds *** |--> calc = 0.00649 seconds *** Disk write bandwidth = 62.0457844328244 MB/s *** Disk read bandwidth = 62.4078155993757 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250974013 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.648250974013 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250974013 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250974014 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250974013 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.096051 seconds *** |--> S.join = 0.000703 seconds *** |--> S.solve = 0.056224 seconds *** |--> S.split = 0.002099 seconds *** |--> Tensor update = 0.034436 seconds *** |--> create = 0.012618 seconds *** |--> destroy = 0.000829 seconds *** |--> disk write = 0.008991 seconds *** |--> disk read = 0.005834 seconds *** |--> calc = 0.006123 seconds *** Disk write bandwidth = 65.392507036116 MB/s *** Disk read bandwidth = 100.438873531641 MB/s *** Minimum energy = -107.648250974014 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.15676357381744e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -107.648250974014 *** Minimum energy encountered during the last sweep = -107.648250974014 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013 NOON of irrep Ag = [ 1.99999530444304 , 1.99487994132293 , 1.98267954063158 ]. NOON of irrep B2g = [ 0.0748715522852449 ]. NOON of irrep B3g = [ 0.0748715521722993 ]. NOON of irrep B1u = [ 1.9999968183922 , 1.98658242713907 , 0.0188079713257102 ]. NOON of irrep B2u = [ 1.9336574461494 ]. NOON of irrep B3u = [ 1.93365744613851 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009425715623 , 0.0515866762960819 , 0.0764971091109553 , 0.257716818909027 , 0.257716818738288 , 8.47155300391066e-05 , 0.0462800404298897 , 0.100736303826227 , 0.241506019706085 , 0.241506019690632 ]. Idistance(0) = 1.3093933103874 Idistance(1) = 5.42402998979321 Idistance(2) = 26.7355487649209 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.105544 seconds *** |--> MPS gauge change = 0.00292 seconds *** |--> Diagram calc = 0.00693 seconds *** |--> Tensor update = 0.091807 seconds *** |--> create = 0.036622 seconds *** |--> destroy = 0.002054 seconds *** |--> disk write = 0.023452 seconds *** |--> disk read = 0.013889 seconds *** |--> calc = 0.015636 seconds *** Disk write bandwidth = 50.7687212927602 MB/s *** Disk read bandwidth = 85.7245339302911 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1824 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0625 MB memory. FCI::matvec : Wall time = 0.004241 seconds FCI::matvec : Wall time = 0.004516 seconds FCI::matvec : Wall time = 0.004589 seconds FCI::matvec : Wall time = 0.004507 seconds FCI::matvec : Wall time = 0.004441 seconds FCI::matvec : Wall time = 0.004372 seconds FCI::matvec : Wall time = 0.00434 seconds FCI::matvec : Wall time = 0.004282 seconds FCI::matvec : Wall time = 0.003667 seconds FCI::matvec : Wall time = 0.003708 seconds FCI::matvec : Wall time = 0.0037 seconds FCI::matvec : Wall time = 0.003708 seconds FCI::matvec : Wall time = 0.00361 seconds FCI::matvec : Wall time = 0.003633 seconds FCI::matvec : Wall time = 0.00358 seconds FCI::matvec : Wall time = 0.003755 seconds FCI::matvec : Wall time = 0.003603 seconds FCI::matvec : Wall time = 0.003613 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -1.09208528450249e-20 and intended S(S+1) = 0 ('RMS difference FCI and DMRG determinant coefficients =', 1.1112514029710778e-08) Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2016 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 -104.63522529197 Stats: nIt(DAVIDSON) = 47 Energy at sites (7, 8) is -106.329185903242 Stats: nIt(DAVIDSON) = 39 Energy at sites (6, 7) is -106.390507514 Stats: nIt(DAVIDSON) = 63 Energy at sites (5, 6) is -107.318053400653 Stats: nIt(DAVIDSON) = 44 Energy at sites (4, 5) is -107.325644847446 Stats: nIt(DAVIDSON) = 23 Energy at sites (3, 4) is -107.328762720884 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.328764504551 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764504551 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.871209 seconds *** |--> S.join = 0.000902 seconds *** |--> S.solve = 0.8208 seconds *** |--> S.split = 0.005611 seconds *** |--> Tensor update = 0.043629 seconds *** |--> create = 0.015688 seconds *** |--> destroy = 0.001341 seconds *** |--> disk write = 0.011254 seconds *** |--> disk read = 0.006603 seconds *** |--> calc = 0.008685 seconds *** Disk write bandwidth = 75.0689305694781 MB/s *** Disk read bandwidth = 127.396907803508 MB/s *** Minimum energy = -107.328764504551 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328764504551 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764504551 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328764504551 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.328764506874 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328766904132 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.328768891519 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768891519 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768891519 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.13496 seconds *** |--> S.join = 0.001745 seconds *** |--> S.solve = 0.086246 seconds *** |--> S.split = 0.004263 seconds *** |--> Tensor update = 0.042523 seconds *** |--> create = 0.01521 seconds *** |--> destroy = 0.00141 seconds *** |--> disk write = 0.00977 seconds *** |--> disk read = 0.005912 seconds *** |--> calc = 0.010179 seconds *** Disk write bandwidth = 86.1004894807126 MB/s *** Disk read bandwidth = 142.900159781615 MB/s *** Minimum energy = -107.328768891519 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.328768891519 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.328768891519 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768891519 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768891519 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768891519 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.328768892029 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.328768897994 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768897994 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897994 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.069234 seconds *** |--> S.join = 0.001641 seconds *** |--> S.solve = 0.026608 seconds *** |--> S.split = 0.003905 seconds *** |--> Tensor update = 0.036933 seconds *** |--> create = 0.014571 seconds *** |--> destroy = 0.001289 seconds *** |--> disk write = 0.008729 seconds *** |--> disk read = 0.005883 seconds *** |--> calc = 0.006416 seconds *** Disk write bandwidth = 96.7837947793454 MB/s *** Disk read bandwidth = 142.98857423535 MB/s *** Minimum energy = -107.328768897994 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768897994 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897994 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768897994 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.328768897994 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898019 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.063231 seconds *** |--> S.join = 0.00154 seconds *** |--> S.solve = 0.020254 seconds *** |--> S.split = 0.003457 seconds *** |--> Tensor update = 0.037822 seconds *** |--> create = 0.015135 seconds *** |--> destroy = 0.001223 seconds *** |--> disk write = 0.00922 seconds *** |--> disk read = 0.005771 seconds *** |--> calc = 0.006436 seconds *** Disk write bandwidth = 91.23663581633 MB/s *** Disk read bandwidth = 146.391568987854 MB/s *** Minimum energy = -107.328768898019 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 6.50024389869941e-09 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -107.328768898019 *** Minimum energy encountered during the last sweep = -107.328768898019 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -107.328768898021 Stats: nIt(DAVIDSON) = 10 Energy at sites (7, 8) is -107.328768898026 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.32876889803 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -107.32876889803 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.328768898029 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.32876889803 Stats: nIt(DAVIDSON) = 11 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.218945 seconds *** |--> S.join = 0.002093 seconds *** |--> S.solve = 0.175271 seconds *** |--> S.split = 0.004186 seconds *** |--> Tensor update = 0.037215 seconds *** |--> create = 0.01449 seconds *** |--> destroy = 0.000942 seconds *** |--> disk write = 0.009534 seconds *** |--> disk read = 0.005947 seconds *** |--> calc = 0.006252 seconds *** Disk write bandwidth = 88.6118884653772 MB/s *** Disk read bandwidth = 141.449770006148 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.328768898033 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.328768898033 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.328768898033 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898032 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898033 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.121977 seconds *** |--> S.join = 0.001617 seconds *** |--> S.solve = 0.080328 seconds *** |--> S.split = 0.003401 seconds *** |--> Tensor update = 0.03649 seconds *** |--> create = 0.014732 seconds *** |--> destroy = 0.00093 seconds *** |--> disk write = 0.008793 seconds *** |--> disk read = 0.005569 seconds *** |--> calc = 0.006425 seconds *** Disk write bandwidth = 95.6672105341252 MB/s *** Disk read bandwidth = 151.701516363603 MB/s *** Minimum energy = -107.328768898033 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.33582034322899e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -107.328768898033 *** Minimum energy encountered during the last sweep = -107.328768898033 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898033 NOON of irrep Ag = [ 1.99999672241039 , 1.99571463015348 , 1.98497373603903 ]. NOON of irrep B2g = [ 0.538989905109026 ]. NOON of irrep B3g = [ 0.538989904967095 ]. NOON of irrep B1u = [ 1.99999702947249 , 1.99149890562714 , 0.0194690668397302 ]. NOON of irrep B2u = [ 1.46518504976256 ]. NOON of irrep B3u = [ 1.46518504961907 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862741878369 , 0.0587089373837244 , 0.055479281020817 , 1.11957630007084 , 1.11957629999534 , 8.52797481811537e-05 , 0.0421718621308848 , 0.105000352900773 , 1.11261995848688 , 1.11261995856468 ]. Idistance(0) = 4.60188108189591 Idistance(1) = 17.7825010796558 Idistance(2) = 85.6947708211299 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.117099 seconds *** |--> MPS gauge change = 0.003451 seconds *** |--> Diagram calc = 0.007785 seconds *** |--> Tensor update = 0.10508 seconds *** |--> create = 0.043173 seconds *** |--> destroy = 0.002307 seconds *** |--> disk write = 0.025121 seconds *** |--> disk read = 0.013986 seconds *** |--> calc = 0.020312 seconds *** Disk write bandwidth = 68.1877326046622 MB/s *** Disk read bandwidth = 122.475620675084 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1160 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0751953125 MB memory. FCI::matvec : Wall time = 0.003512 seconds FCI::matvec : Wall time = 0.003748 seconds FCI::matvec : Wall time = 0.003714 seconds FCI::matvec : Wall time = 0.003409 seconds FCI::matvec : Wall time = 0.0038 seconds FCI::matvec : Wall time = 0.003336 seconds FCI::matvec : Wall time = 0.003266 seconds FCI::matvec : Wall time = 0.003274 seconds FCI::matvec : Wall time = 0.003245 seconds FCI::matvec : Wall time = 0.003218 seconds FCI::matvec : Wall time = 0.00323600000000002 seconds FCI::matvec : Wall time = 0.003248 seconds FCI::matvec : Wall time = 0.003199 seconds FCI::matvec : Wall time = 0.003188 seconds FCI::matvec : Wall time = 0.003168 seconds FCI::matvec : Wall time = 0.003123 seconds FCI::matvec : Wall time = 0.003109 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898033 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 ('RMS difference FCI and DMRG determinant coefficients =', 1.352217331402499e-09) Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2016 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 -98.7099610656855 Stats: nIt(DAVIDSON) = 15 Energy at sites (7, 8) is -105.669231825332 Stats: nIt(DAVIDSON) = 20 Energy at sites (6, 7) is -106.99449896901 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -106.994624984665 Stats: nIt(DAVIDSON) = 22 Energy at sites (4, 5) is -106.996872070414 Stats: nIt(DAVIDSON) = 21 Energy at sites (3, 4) is -106.999076766291 Stats: nIt(DAVIDSON) = 13 Energy at sites (2, 3) is -107.007873228886 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007873228886 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.168507 seconds *** |--> S.join = 0.000731 seconds *** |--> S.solve = 0.131912 seconds *** |--> S.split = 0.003483 seconds *** |--> Tensor update = 0.031474 seconds *** |--> create = 0.011743 seconds *** |--> destroy = 0.001107 seconds *** |--> disk write = 0.009429 seconds *** |--> disk read = 0.006338 seconds *** |--> calc = 0.002805 seconds *** Disk write bandwidth = 20.7115931505362 MB/s *** Disk read bandwidth = 30.6415648142898 MB/s *** Minimum energy = -107.007873228886 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007873228886 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007873228886 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007873228886 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.007873846632 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.007876296879 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -107.007920339463 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.007920339835 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920339835 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.538126 seconds *** |--> S.join = 0.00105 seconds *** |--> S.solve = 0.057522 seconds *** |--> S.split = 0.00208 seconds *** |--> Tensor update = 0.475909 seconds *** |--> create = 0.012711 seconds *** |--> destroy = 0.001366 seconds *** |--> disk write = 0.452865 seconds *** |--> disk read = 0.005707 seconds *** |--> calc = 0.003214 seconds *** Disk write bandwidth = 0.428839141450474 MB/s *** Disk read bandwidth = 34.2193116902762 MB/s *** Minimum energy = -107.007920339835 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.007920339835 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.007920339835 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920339835 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920339835 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.007920339835 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.007920357846 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.007920406787 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -107.007920596787 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920596787 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.052736 seconds *** |--> S.join = 0.000829 seconds *** |--> S.solve = 0.018864 seconds *** |--> S.split = 0.00131 seconds *** |--> Tensor update = 0.029263 seconds *** |--> create = 0.011665 seconds *** |--> destroy = 0.001418 seconds *** |--> disk write = 0.007684 seconds *** |--> disk read = 0.005563 seconds *** |--> calc = 0.002893 seconds *** Disk write bandwidth = 25.415097841802 MB/s *** Disk read bandwidth = 34.9103429431905 MB/s *** Minimum energy = -107.007920596787 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920596787 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920596787 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920596787 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.007920596889 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.007920596924 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.007920599395 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599395 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599395 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.05232 seconds *** |--> S.join = 0.000842 seconds *** |--> S.solve = 0.017065 seconds *** |--> S.split = 0.001276 seconds *** |--> Tensor update = 0.030628 seconds *** |--> create = 0.01231 seconds *** |--> destroy = 0.001456 seconds *** |--> disk write = 0.007836 seconds *** |--> disk read = 0.005995 seconds *** |--> calc = 0.002978 seconds *** Disk write bandwidth = 24.7838486208485 MB/s *** Disk read bandwidth = 32.5754148150803 MB/s *** Minimum energy = -107.007920599395 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.59560465565301e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -107.007920599395 *** Minimum energy encountered during the last sweep = -107.007920599395 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 6 Energy at sites (8, 9) is -107.007920599397 Stats: nIt(DAVIDSON) = 8 Energy at sites (7, 8) is -107.0079205994 Stats: nIt(DAVIDSON) = 14 Energy at sites (6, 7) is -107.007920599403 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599402 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599403 Stats: nIt(DAVIDSON) = 12 Energy at sites (3, 4) is -107.007920599403 Stats: nIt(DAVIDSON) = 10 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.12408 seconds *** |--> S.join = 0.000987 seconds *** |--> S.solve = 0.089795 seconds *** |--> S.split = 0.001328 seconds *** |--> Tensor update = 0.029512 seconds *** |--> create = 0.011779 seconds *** |--> destroy = 0.00145 seconds *** |--> disk write = 0.007892 seconds *** |--> disk read = 0.005473 seconds *** |--> calc = 0.002884 seconds *** Disk write bandwidth = 24.7452625210854 MB/s *** Disk read bandwidth = 35.4844213033014 MB/s *** Minimum energy = -107.007920599438 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599438 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920599438 Stats: nIt(DAVIDSON) = 9 Energy at sites (3, 4) is -107.007920599438 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.007920599438 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.007920599439 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.007920599439 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599439 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.100706 seconds *** |--> S.join = 0.000728 seconds *** |--> S.solve = 0.066909 seconds *** |--> S.split = 0.00124 seconds *** |--> Tensor update = 0.029266 seconds *** |--> create = 0.011655 seconds *** |--> destroy = 0.000985 seconds *** |--> disk write = 0.008072 seconds *** |--> disk read = 0.005645 seconds *** |--> calc = 0.002874 seconds *** Disk write bandwidth = 24.059246505571 MB/s *** Disk read bandwidth = 34.5951482402845 MB/s *** Minimum energy = -107.007920599439 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 4.34852154285181e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -107.007920599439 *** Minimum energy encountered during the last sweep = -107.007920599439 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439 NOON of irrep Ag = [ 1.99999761728589 , 1.99817458691172 , 1.99099529641084 ]. NOON of irrep B2g = [ 0.999157310954341 ]. NOON of irrep B3g = [ 0.999157311004518 ]. NOON of irrep B1u = [ 1.99999763398151 , 1.99356772578647 , 0.0151843204308304 ]. NOON of irrep B2u = [ 1.00188409858667 ]. NOON of irrep B3u = [ 1.0018840986472 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624934312256e-05 , 0.0439795118665366 , 0.0191227054583529 , 0.710073263398056 , 0.710073263012609 , 0.000114194275541295 , 0.0501988278654026 , 0.084768057285258 , 0.709393186205214 , 0.709393186572503 ]. Idistance(0) = 1.96740724074117 Idistance(1) = 7.24682976870175 Idistance(2) = 34.6048709957562 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.078583 seconds *** |--> MPS gauge change = 0.001008 seconds *** |--> Diagram calc = 0.004893 seconds *** |--> Tensor update = 0.068139 seconds *** |--> create = 0.026915 seconds *** |--> destroy = 0.001666 seconds *** |--> disk write = 0.018664 seconds *** |--> disk read = 0.013049 seconds *** |--> calc = 0.007709 seconds *** Disk write bandwidth = 21.924698654286 MB/s *** Disk read bandwidth = 31.3589221920142 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory. FCI::matvec : Wall time = 0.001832 seconds FCI::matvec : Wall time = 0.001813 seconds FCI::matvec : Wall time = 0.001807 seconds FCI::matvec : Wall time = 0.00189 seconds FCI::matvec : Wall time = 0.001806 seconds FCI::matvec : Wall time = 0.001792 seconds FCI::matvec : Wall time = 0.002519 seconds FCI::matvec : Wall time = 0.001808 seconds FCI::matvec : Wall time = 0.001804 seconds FCI::matvec : Wall time = 0.001804 seconds FCI::matvec : Wall time = 0.00185 seconds FCI::matvec : Wall time = 0.001812 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599438 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000002 and intended S(S+1) = 6 ('RMS difference FCI and DMRG determinant coefficients =', 5.4003728925765372e-08) Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2016 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) = 15 Energy at sites (8, 9) is -102.302098226774 Stats: nIt(DAVIDSON) = 28 Energy at sites (7, 8) is -105.792531765962 Stats: nIt(DAVIDSON) = 68 Energy at sites (6, 7) is -105.903673844215 Stats: nIt(DAVIDSON) = 54 Energy at sites (5, 6) is -105.904599324402 Stats: nIt(DAVIDSON) = 40 Energy at sites (4, 5) is -106.131350345442 Stats: nIt(DAVIDSON) = 42 Energy at sites (3, 4) is -106.182380733833 Stats: nIt(DAVIDSON) = 5 Energy at sites (2, 3) is -106.182380817974 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.182380817974 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.462648 seconds *** |--> S.join = 0.000737 seconds *** |--> S.solve = 0.419026 seconds *** |--> S.split = 0.002474 seconds *** |--> Tensor update = 0.038183 seconds *** |--> create = 0.015566 seconds *** |--> destroy = 0.001388 seconds *** |--> disk write = 0.010761 seconds *** |--> disk read = 0.006884 seconds *** |--> calc = 0.003511 seconds *** Disk write bandwidth = 18.7583422086992 MB/s *** Disk read bandwidth = 29.165477409119 MB/s *** Minimum energy = -106.182380817974 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.182380817974 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.182380817974 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.182380817974 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.182380817974 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -106.182447803206 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.191455709914 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19145571027 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19145571027 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.085423 seconds *** |--> S.join = 0.000728 seconds *** |--> S.solve = 0.048874 seconds *** |--> S.split = 0.001401 seconds *** |--> Tensor update = 0.031888 seconds *** |--> create = 0.012059 seconds *** |--> destroy = 0.001197 seconds *** |--> disk write = 0.008961 seconds *** |--> disk read = 0.005689 seconds *** |--> calc = 0.003941 seconds *** Disk write bandwidth = 22.4054398487194 MB/s *** Disk read bandwidth = 35.4822500453177 MB/s *** Minimum energy = -106.19145571027 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 106.19145571027 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.19145571027 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19145571027 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.19145571027 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.19145571027 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -106.191462081381 Stats: nIt(DAVIDSON) = 7 Energy at sites (3, 4) is -106.19146630142 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -106.191466306879 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466306879 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.075777 seconds *** |--> S.join = 0.000714 seconds *** |--> S.solve = 0.037324 seconds *** |--> S.split = 0.001466 seconds *** |--> Tensor update = 0.033645 seconds *** |--> create = 0.013309 seconds *** |--> destroy = 0.000817 seconds *** |--> disk write = 0.009165 seconds *** |--> disk read = 0.005696 seconds *** |--> calc = 0.004614 seconds *** Disk write bandwidth = 22.0249340434056 MB/s *** Disk read bandwidth = 35.2484456608804 MB/s *** Minimum energy = -106.191466306879 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466306879 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466306879 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466306879 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191466306879 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -106.191466308367 Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -106.191466558649 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466558649 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466558649 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.063227 seconds *** |--> S.join = 0.000566 seconds *** |--> S.solve = 0.028561 seconds *** |--> S.split = 0.001342 seconds *** |--> Tensor update = 0.030271 seconds *** |--> create = 0.011747 seconds *** |--> destroy = 0.000709 seconds *** |--> disk write = 0.007848 seconds *** |--> disk read = 0.005401 seconds *** |--> calc = 0.004532 seconds *** Disk write bandwidth = 25.5829697355218 MB/s *** Disk read bandwidth = 37.3742863373102 MB/s *** Minimum energy = -106.191466558649 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.08483788210378e-05 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -106.191466558649 *** Minimum energy encountered during the last sweep = -106.191466558649 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 9 Energy at sites (8, 9) is -106.191466558696 Stats: nIt(DAVIDSON) = 11 Energy at sites (7, 8) is -106.19146655872 Stats: nIt(DAVIDSON) = 11 Energy at sites (6, 7) is -106.191466558728 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -106.191466558733 Stats: nIt(DAVIDSON) = 16 Energy at sites (4, 5) is -106.191466571324 Stats: nIt(DAVIDSON) = 17 Energy at sites (3, 4) is -106.191466574797 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -106.191466574797 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466574797 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.16824 seconds *** |--> S.join = 0.001372 seconds *** |--> S.solve = 0.119406 seconds *** |--> S.split = 0.002888 seconds *** |--> Tensor update = 0.042313 seconds *** |--> create = 0.015724 seconds *** |--> destroy = 0.004101 seconds *** |--> disk write = 0.011869 seconds *** |--> disk read = 0.006548 seconds *** |--> calc = 0.004014 seconds *** Disk write bandwidth = 17.0072053675805 MB/s *** Disk read bandwidth = 30.6620565797763 MB/s *** Minimum energy = -106.191466574797 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466574797 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466574797 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466574797 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -106.191466574797 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.191466574799 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -106.191466575871 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -106.191466575871 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575871 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.103422 seconds *** |--> S.join = 0.00065 seconds *** |--> S.solve = 0.067722 seconds *** |--> S.split = 0.001384 seconds *** |--> Tensor update = 0.031135 seconds *** |--> create = 0.01195 seconds *** |--> destroy = 0.000799 seconds *** |--> disk write = 0.0094 seconds *** |--> disk read = 0.005647 seconds *** |--> calc = 0.003299 seconds *** Disk write bandwidth = 21.3590581366356 MB/s *** Disk read bandwidth = 35.7461520290088 MB/s *** Minimum energy = -106.191466575871 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.72229306372174e-08 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575871 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575871 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575871 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -106.191466575871 Stats: nIt(DAVIDSON) = 15 Energy at sites (4, 5) is -106.191466575933 Stats: nIt(DAVIDSON) = 15 Energy at sites (3, 4) is -106.191466575945 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.191466575945 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575945 ****************************************************************** *** Information on left sweep 1 of instruction 1: *** Elapsed wall time = 0.102396 seconds *** |--> S.join = 0.000738 seconds *** |--> S.solve = 0.055282 seconds *** |--> S.split = 0.001559 seconds *** |--> Tensor update = 0.041972 seconds *** |--> create = 0.018056 seconds *** |--> destroy = 0.001104 seconds *** |--> disk write = 0.011976 seconds *** |--> disk read = 0.006841 seconds *** |--> calc = 0.00394 seconds *** Disk write bandwidth = 16.8552538834179 MB/s *** Disk read bandwidth = 29.3488008309275 MB/s *** Minimum energy = -106.191466575945 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466575945 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575945 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575945 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -106.191466575945 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -106.191466575945 Stats: nIt(DAVIDSON) = 15 Energy at sites (5, 6) is -106.19146657595 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146657595 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146657595 ****************************************************************** *** Information on right sweep 1 of instruction 1: *** Elapsed wall time = 0.109658 seconds *** |--> S.join = 0.003438 seconds *** |--> S.solve = 0.05921 seconds *** |--> S.split = 0.001555 seconds *** |--> Tensor update = 0.042253 seconds *** |--> create = 0.016396 seconds *** |--> destroy = 0.0011 seconds *** |--> disk write = 0.012842 seconds *** |--> disk read = 0.007661 seconds *** |--> calc = 0.004206 seconds *** Disk write bandwidth = 15.6342584086883 MB/s *** Disk read bandwidth = 26.3488474752399 MB/s *** Minimum energy = -106.19146657595 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 7.83870746090543e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -106.19146657595 *** Minimum energy encountered during the last sweep = -106.19146657595 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595 NOON of irrep Ag = [ 1.99999399659027 , 1.99366324757841 , 1.87190045482721 ]. NOON of irrep B2g = [ 0.584814411141822 ]. NOON of irrep B3g = [ 0.584814193001033 ]. NOON of irrep B1u = [ 1.99999783389227 , 1.12096430361084 , 1.00219409685077 ]. NOON of irrep B2u = [ 1.42082884532664 ]. NOON of irrep B3u = [ 1.42082861718074 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17129051393563e-05 , 0.0722109835149317 , 0.460792024295548 , 1.13075787554921 , 1.13075778137487 , 6.17502882912252e-05 , 0.977139029776482 , 0.735936536386723 , 1.12042716948977 , 1.1204272842624 ]. Idistance(0) = 5.65234423441448 Idistance(1) = 19.8382969700529 Idistance(2) = 88.8195483086186 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.109859 seconds *** |--> MPS gauge change = 0.00672 seconds *** |--> Diagram calc = 0.006136 seconds *** |--> Tensor update = 0.095896 seconds *** |--> create = 0.043173 seconds *** |--> destroy = 0.002156 seconds *** |--> disk write = 0.025555 seconds *** |--> disk read = 0.014028 seconds *** |--> calc = 0.010822 seconds *** Disk write bandwidth = 16.5267224835221 MB/s *** Disk read bandwidth = 30.1069570192762 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory. FCI::matvec : Wall time = 0.001928 seconds FCI::matvec : Wall time = 0.004167 seconds FCI::matvec : Wall time = 0.002946 seconds FCI::matvec : Wall time = 0.002294 seconds FCI::matvec : Wall time = 0.00235 seconds FCI::matvec : Wall time = 0.002206 seconds FCI::matvec : Wall time = 0.002158 seconds FCI::matvec : Wall time = 0.00222 seconds FCI::matvec : Wall time = 0.002198 seconds FCI::matvec : Wall time = 0.002233 seconds FCI::matvec : Wall time = 0.002121 seconds FCI::matvec : Wall time = 0.002123 seconds FCI::matvec : Wall time = 0.002125 seconds FCI::matvec : Wall time = 0.002121 seconds FCI::matvec : Wall time = 0.002202 seconds FCI::matvec : Wall time = 0.002095 seconds FCI::matvec : Wall time = 0.001937 seconds FCI::matvec : Wall time = 0.001972 seconds FCI::GSDavidson : Converged ground state energy = -106.19146657595 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6 ('RMS difference FCI and DMRG determinant coefficients =', 9.1274668791683674e-07) Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2016 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) = 14 Energy at sites (8, 9) is -104.294629774974 Stats: nIt(DAVIDSON) = 24 Energy at sites (7, 8) is -106.572415302683 Stats: nIt(DAVIDSON) = 27 Energy at sites (6, 7) is -106.777823704955 Stats: nIt(DAVIDSON) = 62 Energy at sites (5, 6) is -107.293911931474 Stats: nIt(DAVIDSON) = 31 Energy at sites (4, 5) is -107.345752634406 Stats: nIt(DAVIDSON) = 18 Energy at sites (3, 4) is -107.345879922716 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.345881369276 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.345881369276 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.699215 seconds *** |--> S.join = 0.000958 seconds *** |--> S.solve = 0.645826 seconds *** |--> S.split = 0.006441 seconds *** |--> Tensor update = 0.045682 seconds *** |--> create = 0.019518 seconds *** |--> destroy = 0.001273 seconds *** |--> disk write = 0.011441 seconds *** |--> disk read = 0.006425 seconds *** |--> calc = 0.006979 seconds *** Disk write bandwidth = 71.5660013192684 MB/s *** Disk read bandwidth = 126.873565555083 MB/s *** Minimum energy = -107.345881369276 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.345881369276 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.345881369276 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.345881369276 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -107.345881370754 Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -107.345881404129 Stats: nIt(DAVIDSON) = 12 Energy at sites (5, 6) is -107.346320600149 Stats: nIt(DAVIDSON) = 5 Energy at sites (6, 7) is -107.346325173229 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346325173229 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.153854 seconds *** |--> S.join = 0.001723 seconds *** |--> S.solve = 0.104222 seconds *** |--> S.split = 0.004734 seconds *** |--> Tensor update = 0.042973 seconds *** |--> create = 0.015713 seconds *** |--> destroy = 0.001479 seconds *** |--> disk write = 0.011036 seconds *** |--> disk read = 0.006159 seconds *** |--> calc = 0.008539 seconds *** Disk write bandwidth = 73.8639596494569 MB/s *** Disk read bandwidth = 132.94148743201 MB/s *** Minimum energy = -107.346325173229 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.346325173229 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346325173229 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346325173229 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346325173229 Stats: nIt(DAVIDSON) = 5 Energy at sites (5, 6) is -107.346325176933 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.346326024368 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.346326104332 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.346326105129 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326105129 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.108506 seconds *** |--> S.join = 0.001671 seconds *** |--> S.solve = 0.063855 seconds *** |--> S.split = 0.003704 seconds *** |--> Tensor update = 0.03911 seconds *** |--> create = 0.015196 seconds *** |--> destroy = 0.00141 seconds *** |--> disk write = 0.008879 seconds *** |--> disk read = 0.005912 seconds *** |--> calc = 0.007671 seconds *** Disk write bandwidth = 92.2160852679074 MB/s *** Disk read bandwidth = 137.88272305335 MB/s *** Minimum energy = -107.346326105129 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326105129 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326105129 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326105129 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326105129 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326105189 Stats: nIt(DAVIDSON) = 4 Energy at sites (5, 6) is -107.34632611473 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.346326114836 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326114836 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.095829 seconds *** |--> S.join = 0.001576 seconds *** |--> S.solve = 0.04292 seconds *** |--> S.split = 0.005227 seconds *** |--> Tensor update = 0.04589 seconds *** |--> create = 0.01957 seconds *** |--> destroy = 0.001545 seconds *** |--> disk write = 0.010584 seconds *** |--> disk read = 0.006409 seconds *** |--> calc = 0.007734 seconds *** Disk write bandwidth = 77.0183917886816 MB/s *** Disk read bandwidth = 127.755753018217 MB/s *** Minimum energy = -107.346326114836 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 9.41607254389965e-07 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -107.346326114836 *** Minimum energy encountered during the last sweep = -107.346326114836 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 7 Energy at sites (8, 9) is -107.346326114838 Stats: nIt(DAVIDSON) = 9 Energy at sites (7, 8) is -107.346326114839 Stats: nIt(DAVIDSON) = 12 Energy at sites (6, 7) is -107.346326114839 Stats: nIt(DAVIDSON) = 17 Energy at sites (5, 6) is -107.34632611484 Stats: nIt(DAVIDSON) = 11 Energy at sites (4, 5) is -107.346326115018 Stats: nIt(DAVIDSON) = 13 Energy at sites (3, 4) is -107.346326115021 Stats: nIt(DAVIDSON) = 7 Energy at sites (2, 3) is -107.34632611502 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.34632611502 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.258607 seconds *** |--> S.join = 0.001904 seconds *** |--> S.solve = 0.210676 seconds *** |--> S.split = 0.00477 seconds *** |--> Tensor update = 0.041034 seconds *** |--> create = 0.015355 seconds *** |--> destroy = 0.001526 seconds *** |--> disk write = 0.010187 seconds *** |--> disk read = 0.00709 seconds *** |--> calc = 0.006831 seconds *** Disk write bandwidth = 80.3756376846717 MB/s *** Disk read bandwidth = 114.97357668426 MB/s *** Minimum energy = -107.346326115021 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.34632611502 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.34632611502 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.34632611502 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.34632611502 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.34632611502 Stats: nIt(DAVIDSON) = 15 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 8 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.184808 seconds *** |--> S.join = 0.001539 seconds *** |--> S.solve = 0.140229 seconds *** |--> S.split = 0.00363 seconds *** |--> Tensor update = 0.039245 seconds *** |--> create = 0.015448 seconds *** |--> destroy = 0.001372 seconds *** |--> disk write = 0.009375 seconds *** |--> disk read = 0.006024 seconds *** |--> calc = 0.006991 seconds *** Disk write bandwidth = 86.95068359375 MB/s *** Disk read bandwidth = 135.920753833624 MB/s *** Minimum energy = -107.346326115024 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.88038029591553e-10 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 8 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115025 ****************************************************************** *** Information on left sweep 1 of instruction 1: *** Elapsed wall time = 0.597097 seconds *** |--> S.join = 0.001581 seconds *** |--> S.solve = 0.094436 seconds *** |--> S.split = 0.003578 seconds *** |--> Tensor update = 0.495726 seconds *** |--> create = 0.015216 seconds *** |--> destroy = 0.001234 seconds *** |--> disk write = 0.46514 seconds *** |--> disk read = 0.006233 seconds *** |--> calc = 0.007853 seconds *** Disk write bandwidth = 1.7603014599771 MB/s *** Disk read bandwidth = 130.7817517554 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115025 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326115025 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326115025 Stats: nIt(DAVIDSON) = 9 Energy at sites (5, 6) is -107.346326115024 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.346326115024 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115024 ****************************************************************** *** Information on right sweep 1 of instruction 1: *** Elapsed wall time = 1.273689 seconds *** |--> S.join = 0.000912 seconds *** |--> S.solve = 0.070125 seconds *** |--> S.split = 0.002506 seconds *** |--> Tensor update = 1.197537 seconds *** |--> create = 0.016047 seconds *** |--> destroy = 0.001022 seconds *** |--> disk write = 1.166892 seconds *** |--> disk read = 0.006311 seconds *** |--> calc = 0.007213 seconds *** Disk write bandwidth = 0.698575925356765 MB/s *** Disk read bandwidth = 129.739600870504 MB/s *** Minimum energy = -107.346326115025 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.27373675443232e-13 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -107.346326115025 *** Minimum energy encountered during the last sweep = -107.346326115025 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115024 NOON of irrep Ag = [ 1.99999018535368 , 1.99292175275116 , 1.03221285685222 ]. NOON of irrep B2g = [ 1.02415310257924 ]. NOON of irrep B3g = [ 0.0896934287736964 ]. NOON of irrep B1u = [ 1.99999295584654 , 1.95039154287493 , 0.0159495095184201 ]. NOON of irrep B2u = [ 1.91962159297135 ]. NOON of irrep B3u = [ 1.97507307247877 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322992236572 , 0.0447141468345208 , 0.838966994173701 , 0.790658960311993 , 0.31736856113348 , 9.2498950098015e-05 , 0.227634117194038 , 0.0907424584190074 , 0.299652804837019 , 0.133979297020813 ]. Idistance(0) = 1.57215407895104 Idistance(1) = 5.15805448315277 Idistance(2) = 21.9866409898842 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.117925 seconds *** |--> MPS gauge change = 0.013402 seconds *** |--> Diagram calc = 0.007462 seconds *** |--> Tensor update = 0.093139 seconds *** |--> create = 0.036542 seconds *** |--> destroy = 0.002017 seconds *** |--> disk write = 0.021542 seconds *** |--> disk read = 0.014067 seconds *** |--> calc = 0.018798 seconds *** Disk write bandwidth = 77.0989594137688 MB/s *** Disk read bandwidth = 118.068229451298 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory. FCI::matvec : Wall time = 0.003078 seconds FCI::matvec : Wall time = 0.003381 seconds FCI::matvec : Wall time = 0.003234 seconds FCI::matvec : Wall time = 0.003304 seconds FCI::matvec : Wall time = 0.003031 seconds FCI::matvec : Wall time = 0.003005 seconds FCI::matvec : Wall time = 0.003052 seconds FCI::matvec : Wall time = 0.00304 seconds FCI::matvec : Wall time = 0.003021 seconds FCI::matvec : Wall time = 0.003029 seconds FCI::matvec : Wall time = 0.003072 seconds FCI::matvec : Wall time = 0.003063 seconds FCI::matvec : Wall time = 0.003131 seconds FCI::matvec : Wall time = 0.003083 seconds FCI::matvec : Wall time = 0.003394 seconds FCI::matvec : Wall time = 0.003863 seconds FCI::matvec : Wall time = 0.006043 seconds FCI::matvec : Wall time = 0.005993 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 ('RMS difference FCI and DMRG determinant coefficients =', 5.1527319460610872e-09) Info on DMRG::operators rm call to system: 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2016 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 -97.1885298966763 Stats: nIt(DAVIDSON) = 25 Energy at sites (7, 8) is -106.482696749999 Stats: nIt(DAVIDSON) = 56 Energy at sites (6, 7) is -106.950894870464 Stats: nIt(DAVIDSON) = 59 Energy at sites (5, 6) is -107.185492836139 Stats: nIt(DAVIDSON) = 40 Energy at sites (4, 5) is -107.188321882572 Stats: nIt(DAVIDSON) = 32 Energy at sites (3, 4) is -107.199356970813 Stats: nIt(DAVIDSON) = 11 Energy at sites (2, 3) is -107.19938225129 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.19938225129 ****************************************************************** *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.764008 seconds *** |--> S.join = 0.000845 seconds *** |--> S.solve = 0.716335 seconds *** |--> S.split = 0.003633 seconds *** |--> Tensor update = 0.040974 seconds *** |--> create = 0.015006 seconds *** |--> destroy = 0.001236 seconds *** |--> disk write = 0.011387 seconds *** |--> disk read = 0.006456 seconds *** |--> calc = 0.006843 seconds *** Disk write bandwidth = 73.8718621272476 MB/s *** Disk read bandwidth = 129.732796102947 MB/s *** Minimum energy = -107.19938225129 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.19938225129 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.19938225129 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.19938225129 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.19938225938 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199393045396 Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -107.199432106427 Stats: nIt(DAVIDSON) = 11 Energy at sites (6, 7) is -107.199608302507 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199608302507 ****************************************************************** *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.615307 seconds *** |--> S.join = 0.000924 seconds *** |--> S.solve = 0.149382 seconds *** |--> S.split = 0.002594 seconds *** |--> Tensor update = 0.459822 seconds *** |--> create = 0.015737 seconds *** |--> destroy = 0.001042 seconds *** |--> disk write = 0.428013 seconds *** |--> disk read = 0.006362 seconds *** |--> calc = 0.008616 seconds *** Disk write bandwidth = 1.95684460902034 MB/s *** Disk read bandwidth = 132.219254014928 MB/s *** Minimum energy = -107.199608302507 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.199608302507 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.199608302507 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199608302507 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199608302507 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.199616965501 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.199617346221 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.19961741551 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.199617416249 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617416248 ****************************************************************** *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.156611 seconds *** |--> S.join = 0.004441 seconds *** |--> S.solve = 0.106894 seconds *** |--> S.split = 0.00271 seconds *** |--> Tensor update = 0.040271 seconds *** |--> create = 0.014929 seconds *** |--> destroy = 0.001103 seconds *** |--> disk write = 0.010634 seconds *** |--> disk read = 0.006496 seconds *** |--> calc = 0.007065 seconds *** Disk write bandwidth = 79.1027735605575 MB/s *** Disk read bandwidth = 128.933948836303 MB/s *** Minimum energy = -107.199617416249 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617416248 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617416249 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617416249 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617416249 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.199617416333 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.199617417508 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.199617421838 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421838 ****************************************************************** *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.08124 seconds *** |--> S.join = 0.000839 seconds *** |--> S.solve = 0.037998 seconds *** |--> S.split = 0.002428 seconds *** |--> Tensor update = 0.037454 seconds *** |--> create = 0.015066 seconds *** |--> destroy = 0.000761 seconds *** |--> disk write = 0.009516 seconds *** |--> disk read = 0.00583 seconds *** |--> calc = 0.006241 seconds *** Disk write bandwidth = 88.0154404834621 MB/s *** Disk read bandwidth = 144.284544432756 MB/s *** Minimum energy = -107.199617421838 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 9.11933048541869e-06 ****************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 500 *** Minimum energy encountered during all instructions = -107.199617421838 *** Minimum energy encountered during the last sweep = -107.199617421838 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 8 Energy at sites (8, 9) is -107.199617421842 Stats: nIt(DAVIDSON) = 11 Energy at sites (7, 8) is -107.199617421846 Stats: nIt(DAVIDSON) = 17 Energy at sites (6, 7) is -107.199617421859 Stats: nIt(DAVIDSON) = 25 Energy at sites (5, 6) is -107.199617421907 Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -107.199617421915 Stats: nIt(DAVIDSON) = 14 Energy at sites (3, 4) is -107.199617421918 Stats: nIt(DAVIDSON) = 8 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 ****************************************************************** *** Information on left sweep 0 of instruction 1: *** Elapsed wall time = 0.346971 seconds *** |--> S.join = 0.007478 seconds *** |--> S.solve = 0.284882 seconds *** |--> S.split = 0.004006 seconds *** |--> Tensor update = 0.048216 seconds *** |--> create = 0.017055 seconds *** |--> destroy = 0.001131 seconds *** |--> disk write = 0.013993 seconds *** |--> disk read = 0.008407 seconds *** |--> calc = 0.007572 seconds *** Disk write bandwidth = 60.1142638492796 MB/s *** Disk read bandwidth = 99.6258988510319 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 ****************************************************************** Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421919 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421919 Stats: nIt(DAVIDSON) = 9 Energy at sites (4, 5) is -107.199617421919 Stats: nIt(DAVIDSON) = 19 Energy at sites (5, 6) is -107.199617421919 Stats: nIt(DAVIDSON) = 11 Energy at sites (6, 7) is -107.199617421919 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421919 ****************************************************************** *** Information on right sweep 0 of instruction 1: *** Elapsed wall time = 0.237585 seconds *** |--> S.join = 0.000854 seconds *** |--> S.solve = 0.190109 seconds *** |--> S.split = 0.002587 seconds *** |--> Tensor update = 0.041224 seconds *** |--> create = 0.01562 seconds *** |--> destroy = 0.00111 seconds *** |--> disk write = 0.011492 seconds *** |--> disk read = 0.006251 seconds *** |--> calc = 0.006699 seconds *** Disk write bandwidth = 72.8815638392469 MB/s *** Disk read bandwidth = 134.567092312105 MB/s *** Minimum energy = -107.199617421919 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 8.10018718766514e-11 ****************************************************************** *** Information on completed instruction 1: *** The reduced virtual dimension DSU(2) = 1000 *** Minimum energy encountered during all instructions = -107.199617421919 *** Minimum energy encountered during the last sweep = -107.199617421919 *** Maximum discarded weight during the last sweep = 0 ****************************************************************** ******************************************** *** 2-RDM and Correlations calculation *** ******************************************** N(N-1) = 182 Double trace of DMRG 2-RDM = 182 Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919 NOON of irrep Ag = [ 1.99998814650996 , 1.98924041557329 , 1.87687858000996 ]. NOON of irrep B2g = [ 0.139387811164882 ]. NOON of irrep B3g = [ 1.03112739722168 ]. NOON of irrep B1u = [ 1.99999431244145 , 1.10839164051902 , 0.0211636956778284 ]. NOON of irrep B2u = [ 1.96715797369085 ]. NOON of irrep B3u = [ 1.86667002719108 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980016379115 , 0.0818410219078254 , 0.449623197972619 , 0.486645055327396 , 0.811029480835961 , 6.68868120058855e-05 , 0.962046613461816 , 0.112095070343937 , 0.16717614991039 , 0.475082461228124 ]. Idistance(0) = 2.38445938845063 Idistance(1) = 9.57998272793398 Idistance(2) = 47.8783646396634 *************************************************** *** Timing information 2-RDM and Correlations *** *************************************************** *** Elapsed wall time = 0.115865 seconds *** |--> MPS gauge change = 0.002745 seconds *** |--> Diagram calc = 0.007933 seconds *** |--> Tensor update = 0.100034 seconds *** |--> create = 0.037731 seconds *** |--> destroy = 0.003058 seconds *** |--> disk write = 0.026156 seconds *** |--> disk read = 0.016382 seconds *** |--> calc = 0.016529 seconds *** Disk write bandwidth = 65.2106717231168 MB/s *** Disk read bandwidth = 104.1173440111 MB/s *************************************************** FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory. FCI::matvec : Wall time = 0.003121 seconds FCI::matvec : Wall time = 0.003335 seconds FCI::matvec : Wall time = 0.003245 seconds FCI::matvec : Wall time = 0.003278 seconds FCI::matvec : Wall time = 0.003261 seconds FCI::matvec : Wall time = 0.003265 seconds FCI::matvec : Wall time = 0.003264 seconds FCI::matvec : Wall time = 0.003674 seconds FCI::matvec : Wall time = 0.003162 seconds FCI::matvec : Wall time = 0.003165 seconds FCI::matvec : Wall time = 0.003179 seconds FCI::matvec : Wall time = 0.003133 seconds FCI::matvec : Wall time = 0.003157 seconds FCI::matvec : Wall time = 0.003229 seconds FCI::matvec : Wall time = 0.003053 seconds FCI::matvec : Wall time = 0.003106 seconds FCI::matvec : Wall time = 0.003117 seconds FCI::matvec : Wall time = 0.003154 seconds FCI::matvec : Wall time = 0.005067 seconds FCI::matvec : Wall time = 0.007856 seconds FCI::matvec : Wall time = 0.007866 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 ('RMS difference FCI and DMRG determinant coefficients =', 1.2714951909473702e-08) Info on DMRG::operators rm call to system: 0 ================> Did test 1 succeed : yes make[1]: Leaving directory '/<>' fakeroot debian/rules binary dh binary --with python2 dh_testroot dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/<>' dh_auto_install make -j1 install DESTDIR=/<>/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/<>/obj-x86_64-linux-gnu' make[3]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 65%] Built target chemps2-base make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 66%] Built target chemps2-static make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 67%] Built target chemps2-shared make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 69%] Built target chemps2-bin make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 71%] Built target test14 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 73%] Built target test13 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 76%] Built target test12 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 78%] Built target test11 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 80%] Built target test2 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 82%] Built target test4 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 84%] Built target test3 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 86%] Built target test1 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 89%] Built target test9 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 91%] Built target test10 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 93%] Built target test5 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 95%] Built target test6 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [ 97%] Built target test7 make[4]: Entering directory '/<>/obj-x86_64-linux-gnu' make[4]: Leaving directory '/<>/obj-x86_64-linux-gnu' [100%] Built target test8 make[3]: Leaving directory '/<>/obj-x86_64-linux-gnu' Install the project... -- Install configuration: "release" -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Config.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2ConfigVersion.cmake -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.2 -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so -- Set runtime path of "/<>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.2" to "" -- Installing: /<>/debian/tmp/usr/bin/chemps2 -- Set runtime path of "/<>/debian/tmp/usr/bin/chemps2" to "" -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.a -- Up-to-date: /<>/debian/tmp/usr/bin/chemps2 -- Installing: /<>/debian/tmp/usr/include/chemps2 -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFindices.h -- Installing: /<>/debian/tmp/usr/include/chemps2/CASPT2.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Hamiltonian.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Cumulant.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TwoIndex.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Special.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorS1.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Excitation.h -- Installing: /<>/debian/tmp/usr/include/chemps2/MPIchemps2.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Wigner.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorF1.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Irreps.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorX.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Davidson.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TwoDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorL.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Tensor3RDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorQ.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Molden.h -- Installing: /<>/debian/tmp/usr/include/chemps2/CASSCF.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorF0.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Tensor.h -- Installing: /<>/debian/tmp/usr/include/chemps2/SyBookkeeper.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Options.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorKM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ThreeDM.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRG.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Problem.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorGYZ.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h -- Installing: /<>/debian/tmp/usr/include/chemps2/FCI.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Lapack.h -- Installing: /<>/debian/tmp/usr/include/chemps2/FourIndex.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorT.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Initialize.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Heff.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ConvergenceScheme.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DIIS.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorS0.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorOperator.h -- Installing: /<>/debian/tmp/usr/include/chemps2/TensorO.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Sobject.h -- Installing: /<>/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h -- Installing: /<>/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h -- Installing: /<>/debian/tmp/usr/include/chemps2/MyHDF5.h -- Installing: /<>/debian/tmp/usr/include/chemps2/ConjugateGradient.h -- Installing: /<>/debian/tmp/usr/include/chemps2/Correlations.h -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake -- Installing: /<>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static-release.cmake make[2]: Leaving directory '/<>/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_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 running install_egg_info Writing ../debian/tmp/usr/lib/python2.7/dist-packages/CheMPS2-1.8.3.egg-info dh_numpy make[1]: Leaving directory '/<>' dh_install dh_installdocs debian/rules override_dh_installchangelogs make[1]: Entering directory '/<>' dh_installchangelogs -k CHANGELOG.md make[1]: Leaving directory '/<>' dh_installman dh_python2 I: dh_python2 fs:322: renaming PyCheMPS2.so to PyCheMPS2.x86_64-linux-gnu.so dh_perl dh_link dh_strip_nondeterminism 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: libchemps2-2 libchemps2-dev chemps2 python-chemps2 dh_strip debug symbol extraction: packages to act on: libchemps2-2 libchemps2-dev chemps2 python-chemps2 dh_strip debug symbol extraction: ignored packages: Using buildid for compat level >= 9 dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package libchemps2-2: 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: ‘/<>/debian/libchemps2-dev-dbgsym’: No such file or directory /usr/bin/pkg_create_dbgsym: nothing in /<>/debian/libchemps2-dev-dbgsym and no dbgdepends, ignoring Using buildid for compat level >= 9 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 /usr/bin/pkg_create_dbgsym: ignoring python* package: python-chemps2 strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/CASPT2.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/CASSCF.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/CASSCFdebug.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/CASSCFpt2.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/ConjugateGradient.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/ConvergenceScheme.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Correlations.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Cumulant.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Davidson.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DIIS.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRG.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGfock.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGmpsio.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGoperators.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGoperators3RDM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGSCFindices.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGSCFoptions.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGSCFrotations.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGSCFunitary.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/DMRGtechnics.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Excitation.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/FCI.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/FourIndex.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Hamiltonian.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Heff.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/HeffDiagonal.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/HeffDiagrams1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/HeffDiagrams2.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/HeffDiagrams3.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/HeffDiagrams4.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/HeffDiagrams5.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Initialize.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Irreps.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Molden.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/PrintLicense.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Problem.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Sobject.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/SyBookkeeper.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Tensor3RDM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorF0.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorF1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorGYZ.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorKM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorL.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorO.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorOperator.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorQ.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorS0.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorS1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorT.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TensorX.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/ThreeDM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TwoDM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/TwoIndex.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/st2SEwd2/Wigner.cpp.o: plugin needed to handle lto object dh_makeshlibs dpkg-gensymbols: warning: debian/libchemps2-2/DEBIAN/symbols doesn't match completely debian/libchemps2-2.symbols --- debian/libchemps2-2.symbols (libchemps2-2_1.8.3-1_amd64) +++ dpkg-gensymbols8gquP7 2016-11-17 23:26:38.010221226 +0000 @@ -143,9 +143,9 @@ _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.7 _ZN7CheMPS216DMRGSCFintegralsD2Ev@Base 1.7 (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.7 - (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileElll@Base 1.8 +#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileElll@Base 1.8 (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.7 - (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEllPdiii@Base 1.8 +#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEllPdiii@Base 1.8 _ZN7CheMPS216DMRGSCFrotations13package_firstEPdS1_iii@Base 1.7 _ZN7CheMPS216DMRGSCFrotations15blockwise_firstEPdS1_iiiS1_ii@Base 1.7 _ZN7CheMPS216DMRGSCFrotations15blockwise_thirdEPdS1_iiiS1_ii@Base 1.7 @@ -158,9 +158,9 @@ _ZN7CheMPS216DMRGSCFrotations6rotateEPKNS_9FourIndexEPS1_PNS_16DMRGSCFintegralsEccccPNS_14DMRGSCFindicesEPNS_14DMRGSCFunitaryEPdSB_iNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 _ZN7CheMPS216DMRGSCFrotations9dimensionEPNS_14DMRGSCFindicesEic@Base 1.7 (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPiS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 - (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPlS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 +#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPlS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.7 - (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEllPdiii@Base 1.8 +#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEllPdiii@Base 1.8 _ZN7CheMPS217ConjugateGradient12apply_preconEPd@Base 1.7 _ZN7CheMPS217ConjugateGradient12apply_preconEPdS1_@Base 1.7 _ZN7CheMPS217ConjugateGradient4stepEPPd@Base 1.7 @@ -240,9 +240,9 @@ _ZN7CheMPS24DMRG16updateMovingLeftEi@Base 1.7 _ZN7CheMPS24DMRG17updateMovingRightEi@Base 1.7 (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 - (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 +#MISSING: 1.8.3-1# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7 - (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 +#MISSING: 1.8.3-1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8 _ZN7CheMPS24DMRG19activateExcitationsEi@Base 1.7 _ZN7CheMPS24DMRG19prepare_excitationsEPNS_7SobjectE@Base 1.7 _ZN7CheMPS24DMRG20updateMovingLeftSafeEi@Base 1.7 dh_shlibdeps dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-chemps2/usr/lib/python2.7/dist-packages/PyCheMPS2.x86_64-linux-gnu.so was not linked against libpthread.so.0 (it uses none of the library's symbols) dh_installdeb dh_gencontrol dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package libchemps2-2: 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:Provides} dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Versions} dh_gencontrol debug symbol wrapper: all non-arch-all packages for this build platform amd64: libchemps2-2 libchemps2-dev chemps2 python-chemps2 dh_gencontrol debug symbol wrapper: packages to act on: libchemps2-2 libchemps2-dev chemps2 python-chemps2 dh_gencontrol debug symbol wrapper: ignored packages: dh_gencontrol debug symbol wrapper: processing package libchemps2-2 (pkgdir debian/libchemps2-2, ddeb package dir debian/libchemps2-2-dbgsym) dh_gencontrol debug symbol wrapper: building libchemps2-2-dbgsym_1.8.3-1_amd64.ddeb dpkg-deb: building package 'libchemps2-2-dbgsym' in '../libchemps2-2-dbgsym_1.8.3-1_amd64.ddeb'. dh_gencontrol debug symbol wrapper: dpkg-distaddfile libchemps2-2-dbgsym_1.8.3-1_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_1.8.3-1_amd64.ddeb dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.3-1_amd64.ddeb'. dh_gencontrol debug symbol wrapper: dpkg-distaddfile chemps2-dbgsym_1.8.3-1_amd64.ddeb science extra dpkg-distaddfile: warning: File::FcntlLock not available; using flock which is not NFS-safe dh_gencontrol debug symbol wrapper: no debian/python-chemps2-dbgsym, skipping package python-chemps2 dh_md5sums dh_builddeb INFO: pkgstriptranslations version 131 INFO: pkgstriptranslations version 131 INFO: pkgstriptranslations version 131 INFO: pkgstriptranslations version 131 pkgstriptranslations: processing libchemps2-dev (in debian/libchemps2-dev); do_strip: , oemstrip: pkgstriptranslations: processing libchemps2-2 (in debian/libchemps2-2); do_strip: , oemstrip: pkgstriptranslations: processing chemps2-doc (in debian/chemps2-doc); do_strip: , oemstrip: pkgstriptranslations: processing chemps2 (in debian/chemps2); do_strip: , oemstrip: pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgmaintainermangler: Maintainer field overridden to "Ubuntu Developers " pkgstripfiles: processing control file: debian/libchemps2-2/DEBIAN/control, package libchemps2-2, directory debian/libchemps2-2 .. removing usr/share/doc/libchemps2-2/changelog.gz 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: processing control file: debian/chemps2/DEBIAN/control, package chemps2, directory debian/chemps2 INFO: pkgstripfiles: waiting for lock (chemps2-doc) ... .. removing usr/share/doc/chemps2/changelog.gz INFO: pkgstripfiles: waiting for lock (chemps2) ... pkgstripfiles: Truncating usr/share/doc/libchemps2-2/changelog.Debian.gz to topmost ten records pkgstripfiles: Running PNG optimization (using 4 cpus) for package libchemps2-2 ... pkgstripfiles: No PNG files. dpkg-deb: building package 'libchemps2-2' in '../libchemps2-2_1.8.3-1_amd64.deb'. INFO: pkgstripfiles: waiting for lock (chemps2-doc) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... INFO: pkgstriptranslations version 131 pkgstriptranslations: processing python-chemps2 (in debian/python-chemps2); do_strip: , oemstrip: INFO: pkgstripfiles: waiting for lock (chemps2-doc) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... 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 INFO: pkgstripfiles: waiting for lock (python-chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2-doc) ... INFO: pkgstripfiles: waiting for lock (python-chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2) ... INFO: pkgstripfiles: waiting for lock (chemps2-doc) ... INFO: pkgstripfiles: waiting for lock (python-chemps2) ... 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 libchemps2-2... symlinking changelog.Debian.gz in libchemps2-dev to file in libchemps2-2 pkgstripfiles: Running PNG optimization (using 4 cpus) for package libchemps2-dev ... pkgstripfiles: No PNG files. dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.3-1_amd64.deb'. INFO: pkgstripfiles: waiting for lock (chemps2) ... pkgstripfiles: Truncating usr/share/doc/chemps2-doc/changelog.Debian.gz to topmost ten records pkgstripfiles: Disabled PNG optimization for -doc package chemps2-doc (to save build time) dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.3-1_all.deb'. INFO: pkgstripfiles: waiting for lock (python-chemps2) ... Searching for duplicated docs in dependency libchemps2-2... symlinking changelog.Debian.gz in chemps2 to file in libchemps2-2 pkgstripfiles: Running PNG optimization (using 4 cpus) for package chemps2 ... pkgstripfiles: No PNG files. dpkg-deb: building package 'chemps2' in '../chemps2_1.8.3-1_amd64.deb'. Searching for duplicated docs in dependency libchemps2-2... symlinking changelog.Debian.gz in python-chemps2 to file in libchemps2-2 pkgstripfiles: Running PNG optimization (using 4 cpus) for package python-chemps2 ... pkgstripfiles: No PNG files. dpkg-deb: building package 'python-chemps2' in '../python-chemps2_1.8.3-1_amd64.deb'. dpkg-genchanges --build=any,all -mLaunchpad Build Daemon >../chemps2_1.8.3-1_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build chemps2-1.8.3 dpkg-buildpackage: info: binary-only upload (no source included) -------------------------------------------------------------------------------- Build finished at 20161117-2326 Finished -------- I: Built successfully +------------------------------------------------------------------------------+ | Post Build Chroot | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Changes | +------------------------------------------------------------------------------+ chemps2_1.8.3-1_amd64.changes: ------------------------------ Format: 1.8 Date: Tue, 15 Nov 2016 20:07:44 +0100 Source: chemps2 Binary: libchemps2-2 libchemps2-dev chemps2-doc chemps2 python-chemps2 Architecture: amd64 all Version: 1.8.3-1 Distribution: zesty-proposed Urgency: medium Maintainer: Launchpad Build Daemon Changed-By: Sebastian Wouters Description: chemps2 - Executable to call libchemps2-2 from the command line chemps2-doc - Documentation of the libchemps2-2 package libchemps2-2 - Spin-adapted DMRG for ab initio quantum chemistry libchemps2-dev - C++ headers, static library, and symlink for libchemps2-2 python-chemps2 - Python 2 interface for libchemps2-2 Changes: chemps2 (1.8.3-1) unstable; urgency=medium . * Upstream release v1.8.3 (MOLCAS interface) Checksums-Sha1: b601bb48970d35d87630de73be6edbb22b331ece 64412 chemps2-dbgsym_1.8.3-1_amd64.ddeb 78570092e502338e5f7ff5511d5ffaac7334ba74 510234 chemps2-doc_1.8.3-1_all.deb a367cad1e83e9a09c8c2591ce023457200b4f80f 24720 chemps2_1.8.3-1_amd64.deb 04e0daa405ab19d249bfafe4772327b1c66e1cc8 998542 libchemps2-2-dbgsym_1.8.3-1_amd64.ddeb 86c99bbaac5d85cce2dd43d11baf5975d3ab4ef6 503214 libchemps2-2_1.8.3-1_amd64.deb 10fb2aad75c5635c86bb3dd6dda9be5cbd2920de 6564778 libchemps2-dev_1.8.3-1_amd64.deb 210922b380cea3507f57db9cfb31c2c2da558236 90612 python-chemps2_1.8.3-1_amd64.deb Checksums-Sha256: ea0770647fc41dedb7c23e21b4fea0498c9ecf7de00010b2add9ac53c4c138da 64412 chemps2-dbgsym_1.8.3-1_amd64.ddeb d9ade0b3a6adbd3759ecb86674d5c8ff96d384c0419968fb17066f9c6bab4363 510234 chemps2-doc_1.8.3-1_all.deb d586e747444f851423977acf1e2f5fdffb5ec24a241b9ae57093cd7b8b639e18 24720 chemps2_1.8.3-1_amd64.deb a66f03899bf1f89d0dfc88eb853a472a407afe6f055102f8164d44b5494fc55f 998542 libchemps2-2-dbgsym_1.8.3-1_amd64.ddeb 4a7c9160aeab4db1d5fa0855aa33414e0999d9fb1a6e299d67189bc3bd74e1b5 503214 libchemps2-2_1.8.3-1_amd64.deb 274f174c964745e77be4dd4eccb96f103186457901b62bd3e3eed47742b3626e 6564778 libchemps2-dev_1.8.3-1_amd64.deb eb694fee33b7f91fa46550a576602c33b74c79b568a615670a8971b86dadc3ca 90612 python-chemps2_1.8.3-1_amd64.deb Files: 76c860764fed5d56336d7678bd8ce9a3 64412 science extra chemps2-dbgsym_1.8.3-1_amd64.ddeb 59995230d944b4312b52bfd891c3af0c 510234 doc optional chemps2-doc_1.8.3-1_all.deb ce007dad8e8f7020944f45bfb275eaf3 24720 science optional chemps2_1.8.3-1_amd64.deb a344bcf48700c5da08678afb8dd2dae7 998542 libs extra libchemps2-2-dbgsym_1.8.3-1_amd64.ddeb f8a70c23a2408f9d9e8d7db2a6406103 503214 libs optional libchemps2-2_1.8.3-1_amd64.deb 8b81d22e7bab5a6fe3d3ee7a71f1d230 6564778 libdevel optional libchemps2-dev_1.8.3-1_amd64.deb 39ba66afbcde56a767581d2366396f84 90612 python optional python-chemps2_1.8.3-1_amd64.deb +------------------------------------------------------------------------------+ | Package contents | +------------------------------------------------------------------------------+ chemps2-doc_1.8.3-1_all.deb --------------------------- new debian package, version 2.0. size 510234 bytes: control archive=2810 bytes. 1595 bytes, 34 lines control 5113 bytes, 61 lines md5sums Package: chemps2-doc Source: chemps2 Version: 1.8.3-1 Architecture: all Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 999 Section: doc Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Documentation of the libchemps2-2 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 wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This is the common documentation package. drwxr-xr-x root/root 0 2016-11-15 19:07 ./ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc-base/ -rw-r--r-- root/root 282 2016-11-15 19:07 ./usr/share/doc-base/libchemps2-doc drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/chemps2-doc/ lrwxrwxrwx root/root 0 2016-11-15 19:07 ./usr/share/doc/chemps2-doc/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 1145 2016-11-15 19:07 ./usr/share/doc/chemps2-doc/changelog.Debian.gz -rw-r--r-- root/root 1274 2016-11-15 19:07 ./usr/share/doc/chemps2-doc/copyright drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/libchemps2/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/libchemps2/html/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/libchemps2/html/_images/ -rw-r--r-- root/root 6810 2016-11-15 19:07 ./usr/share/doc/libchemps2/html/_images/Comparison.png -rw-r--r-- root/root 8378 2016-11-15 19:07 ./usr/share/doc/libchemps2/html/_images/ComparisonN2.png -rw-r--r-- root/root 11679 2016-11-15 19:07 ./usr/share/doc/libchemps2/html/_images/ExtrapolationN2reorder.png -rw-r--r-- root/root 31417 2016-11-15 18:51 ./usr/share/doc/libchemps2/html/_images/handson_comparison.png -rw-r--r-- root/root 297382 2016-11-15 19:07 ./usr/share/doc/libchemps2/html/_images/handson_orbitals.png -rw-r--r-- root/root 24403 2016-11-15 19:07 ./usr/share/doc/libchemps2/html/_images/multi_node_h2o.png -rw-r--r-- root/root 35238 2016-11-15 19:07 ./usr/share/doc/libchemps2/html/_images/polyene_scaling.png -rw-r--r-- root/root 23985 2016-11-15 19:07 ./usr/share/doc/libchemps2/html/_images/single_node_h2o.png drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/libchemps2/html/_sources/ -rw-r--r-- root/root 11546 2016-11-15 18:51 ./usr/share/doc/libchemps2/html/_sources/caspt2.txt -rw-r--r-- root/root 6847 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Package: chemps2 Version: 1.8.3-1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 82 Depends: libc6 (>= 2.14), libchemps2-2 (= 1.8.3-1), libgcc1 (>= 1:3.3.1), libstdc++6 (>= 5.2) Suggests: chemps2-doc Breaks: libchemps2-1 (<< 1.7-1~) Replaces: libchemps2-1 (<< 1.7-1~) Section: science Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Executable to call libchemps2-2 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 wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the executable which parses Hamiltonians in fcidump format, performs DMRG-SCF and DMRG-CASPT2 calculations as specified by the user. drwxr-xr-x root/root 0 2016-11-15 19:07 ./ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/bin/ -rwxr-xr-x root/root 63584 2016-11-15 19:07 ./usr/bin/chemps2 drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/chemps2/ lrwxrwxrwx root/root 0 2016-11-15 19:07 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2016-11-15 19:07 ./usr/share/doc/chemps2/changelog.Debian.gz -> ../libchemps2-2/changelog.Debian.gz -rw-r--r-- root/root 1274 2016-11-15 19:07 ./usr/share/doc/chemps2/copyright drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/man/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/man/man1/ -rw-r--r-- root/root 2939 2016-11-15 19:07 ./usr/share/man/man1/chemps2.1.gz libchemps2-2_1.8.3-1_amd64.deb ------------------------------ new debian package, version 2.0. size 503214 bytes: control archive=10245 bytes. 1737 bytes, 34 lines control 374 bytes, 5 lines md5sums 26 bytes, 1 lines shlibs 64090 bytes, 1065 lines symbols 60 bytes, 2 lines triggers Package: libchemps2-2 Source: chemps2 Version: 1.8.3-1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 1532 Depends: libblas3 | libblas.so.3, libc6 (>= 2.14), libgcc1 (>= 1:3.3.1), libgomp1 (>= 4.9), 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 wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. drwxr-xr-x root/root 0 2016-11-15 19:07 ./ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/lib/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/lib/x86_64-linux-gnu/ -rw-r--r-- root/root 1477720 2016-11-15 19:07 ./usr/lib/x86_64-linux-gnu/libchemps2.so.2 drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/libchemps2-2/ lrwxrwxrwx root/root 0 2016-11-15 19:07 ./usr/share/doc/libchemps2-2/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 5460 2016-11-15 18:51 ./usr/share/doc/libchemps2-2/FILES.md.gz -rw-r--r-- root/root 2005 2016-11-15 18:51 ./usr/share/doc/libchemps2-2/README.md.gz -rw-r--r-- root/root 1143 2016-11-15 19:07 ./usr/share/doc/libchemps2-2/changelog.Debian.gz -rw-r--r-- root/root 1274 2016-11-15 19:07 ./usr/share/doc/libchemps2-2/copyright libchemps2-dev_1.8.3-1_amd64.deb -------------------------------- new debian package, version 2.0. size 6564778 bytes: control archive=2606 bytes. 1720 bytes, 37 lines control 3513 bytes, 53 lines md5sums Package: libchemps2-dev Source: chemps2 Version: 1.8.3-1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 7601 Depends: libchemps2-2 (= 1.8.3-1) Suggests: chemps2-doc Section: libdevel Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: C++ headers, static library, and symlink for libchemps2-2 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2. drwxr-xr-x root/root 0 2016-11-15 19:07 ./ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/include/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/include/chemps2/ -rw-r--r-- root/root 12630 2016-11-15 18:51 ./usr/include/chemps2/CASPT2.h -rw-r--r-- root/root 31090 2016-11-15 18:51 ./usr/include/chemps2/CASSCF.h -rw-r--r-- root/root 3717 2016-11-15 18:51 ./usr/include/chemps2/ConjugateGradient.h -rw-r--r-- root/root 5460 2016-11-15 18:51 ./usr/include/chemps2/ConvergenceScheme.h -rw-r--r-- root/root 14687 2016-11-15 18:51 ./usr/include/chemps2/Correlations.h -rw-r--r-- root/root 10202 2016-11-15 18:51 ./usr/include/chemps2/Cumulant.h -rw-r--r-- root/root 4326 2016-11-15 18:51 ./usr/include/chemps2/DIIS.h -rw-r--r-- root/root 15179 2016-11-15 18:51 ./usr/include/chemps2/DMRG.h -rw-r--r-- root/root 6579 2016-11-15 18:51 ./usr/include/chemps2/DMRGSCFindices.h 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2016-11-15 19:07 ./usr/share/doc/libchemps2-dev/copyright python-chemps2_1.8.3-1_amd64.deb -------------------------------- new debian package, version 2.0. size 90612 bytes: control archive=1268 bytes. 1845 bytes, 36 lines control 258 bytes, 3 lines md5sums Package: python-chemps2 Source: chemps2 Version: 1.8.3-1 Architecture: amd64 Maintainer: Ubuntu Developers Original-Maintainer: Debichem Team Installed-Size: 314 Depends: python-numpy (>= 1:1.10.0~b1), python-numpy-abi9, python (<< 2.8), python (>= 2.7~), python:any (<< 2.8), python:any (>= 2.7~), libc6 (>= 2.14), libchemps2-2 (= 1.8.3-1), libgcc1 (>= 1:3.0), libstdc++6 (>= 5.2) Suggests: chemps2-doc Section: python Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Python 2 interface for libchemps2-2 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the library for Python 2. drwxr-xr-x root/root 0 2016-11-15 19:07 ./ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/lib/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/lib/python2.7/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/lib/python2.7/dist-packages/ -rw-r--r-- root/root 795 2016-11-15 19:07 ./usr/lib/python2.7/dist-packages/CheMPS2-1.8.3.egg-info -rw-r--r-- root/root 303632 2016-11-15 19:07 ./usr/lib/python2.7/dist-packages/PyCheMPS2.x86_64-linux-gnu.so drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/ drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/doc/python-chemps2/ lrwxrwxrwx root/root 0 2016-11-15 19:07 ./usr/share/doc/python-chemps2/CHANGELOG.md.gz -> changelog.gz lrwxrwxrwx root/root 0 2016-11-15 19:07 ./usr/share/doc/python-chemps2/changelog.Debian.gz -> ../libchemps2-2/changelog.Debian.gz -rw-r--r-- root/root 1274 2016-11-15 19:07 ./usr/share/doc/python-chemps2/copyright +------------------------------------------------------------------------------+ | Post Build | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Cleanup | +------------------------------------------------------------------------------+ Not removing build depends: as requested Keeping session: +------------------------------------------------------------------------------+ | Summary | +------------------------------------------------------------------------------+ Build Architecture: amd64 Build-Space: 73872 Build-Time: 192 Distribution: zesty-proposed Host Architecture: amd64 Install-Time: 97 Job: chemps2_1.8.3-1.dsc Machine Architecture: amd64 Package: chemps2 Package-Time: 292 Source-Version: 1.8.3-1 Space: 73872 Status: successful Version: 1.8.3-1 -------------------------------------------------------------------------------- Finished at 20161117-2326 Build needed 00:04:52, 73872k disc space RUN: /usr/share/launchpad-buildd/slavebin/scan-for-processes ['scan-for-processes', 'PACKAGEBUILD-11220252'] Scanning for processes to kill in build /home/buildd/build-PACKAGEBUILD-11220252/chroot-autobuild... RUN: /usr/share/launchpad-buildd/slavebin/umount-chroot ['umount-chroot', 'PACKAGEBUILD-11220252'] Unmounting chroot for build PACKAGEBUILD-11220252... RUN: /usr/share/launchpad-buildd/slavebin/remove-build ['remove-build', 'PACKAGEBUILD-11220252'] Removing build PACKAGEBUILD-11220252