chemps2 →
1.8.3-1 →
armhf → 2016-12-06 13:06:30
sbuild (Debian sbuild) 0.71.0 (24 Aug 2016) on bm-wb-04
+==============================================================================+
| chemps2 1.8.3-1 (armhf) Tue, 06 Dec 2016 12:32:36 +0000 |
+==============================================================================+
Package: chemps2
Version: 1.8.3-1
Source Version: 1.8.3-1
Distribution: stretch-staging
Machine Architecture: armhf
Host Architecture: armhf
Build Architecture: armhf
I: NOTICE: Log filtering will replace 'var/lib/schroot/mount/stretch-staging-armhf-sbuild-23b34d94-1bf0-494f-97ff-6f5f2c21792c' with '<<CHROOT>>'
+------------------------------------------------------------------------------+
| Update chroot |
+------------------------------------------------------------------------------+
Get:1 http://172.17.0.1/private stretch-staging InRelease [11.3 kB]
Get:2 http://172.17.0.1/private stretch-staging/main Sources [9566 kB]
Get:3 http://172.17.0.1/private stretch-staging/main armhf Packages [11.5 MB]
Fetched 21.1 MB in 24s (846 kB/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
+------------------------------------------------------------------------------+
| Fetch source files |
+------------------------------------------------------------------------------+
Check APT
---------
Checking available source versions...
Download source files with APT
------------------------------
Reading package lists...
NOTICE: 'chemps2' packaging is maintained in the 'Git' version control system at:
https://anonscm.debian.org/git/debichem/packages/chemps2.git
Please use:
git clone https://anonscm.debian.org/git/debichem/packages/chemps2.git
to retrieve the latest (possibly unreleased) updates to the package.
Need to get 1269 kB of source archives.
Get:1 http://172.17.0.1/private stretch-staging/main chemps2 1.8.3-1 (dsc) [2444 B]
Get:2 http://172.17.0.1/private stretch-staging/main chemps2 1.8.3-1 (tar) [1253 kB]
Get:3 http://172.17.0.1/private stretch-staging/main chemps2 1.8.3-1 (diff) [13.0 kB]
Fetched 1269 kB in 0s (7332 kB/s)
Download complete and in download only mode
I: NOTICE: Log filtering will replace 'build/chemps2-77xFPw/chemps2-1.8.3' with '<<PKGBUILDDIR>>'
I: NOTICE: Log filtering will replace 'build/chemps2-77xFPw' with '<<BUILDDIR>>'
+------------------------------------------------------------------------------+
| Install build-essential |
+------------------------------------------------------------------------------+
Setup apt archive
-----------------
Merged Build-Depends: build-essential, fakeroot
Filtered Build-Depends: build-essential, fakeroot
dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/<<BUILDDIR>>/resolver-cmtAau/apt_archive/sbuild-build-depends-core-dummy.deb'.
dpkg-scanpackages: warning: Packages in archive but missing from override file:
dpkg-scanpackages: warning: sbuild-build-depends-core-dummy
dpkg-scanpackages: info: Wrote 1 entries to output Packages file.
gpg: keybox '/<<BUILDDIR>>/resolver-cmtAau/gpg/pubring.kbx' created
gpg: /<<BUILDDIR>>/resolver-cmtAau/gpg/trustdb.gpg: trustdb created
gpg: key 35506D9A48F77B2E: public key "Sbuild Signer (Sbuild Build Dependency Archive Key) <buildd-tools-devel@lists.alioth.debian.org>" imported
gpg: Total number processed: 1
gpg: imported: 1
gpg: key 35506D9A48F77B2E: "Sbuild Signer (Sbuild Build Dependency Archive Key) <buildd-tools-devel@lists.alioth.debian.org>" not changed
gpg: key 35506D9A48F77B2E: secret key imported
gpg: Total number processed: 1
gpg: unchanged: 1
gpg: secret keys read: 1
gpg: secret keys imported: 1
gpg: using "Sbuild Signer" as default secret key for signing
Ign:1 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ InRelease
Get:2 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ Release [957 B]
Get:3 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ Release.gpg [370 B]
Get:4 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ Sources [349 B]
Get:5 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ Packages [432 B]
Fetched 2108 B in 0s (2841 B/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
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:
fuse2fs gnupg-l10n libfuse2 manpages
Use '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 3 not upgraded.
Need to get 776 B of archives.
After this operation, 0 B of additional disk space will be used.
Get:1 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ sbuild-build-depends-core-dummy 0.invalid.0 [776 B]
debconf: delaying package configuration, since apt-utils is not installed
Fetched 776 B in 0s (0 B/s)
Selecting previously unselected package sbuild-build-depends-core-dummy.
(Reading database ... 13928 files and directories currently installed.)
Preparing to unpack .../sbuild-build-depends-core-dummy_0.invalid.0_armhf.deb ...
Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ...
Setting up sbuild-build-depends-core-dummy (0.invalid.0) ...
W: No sandbox user '_apt' on the system, can not drop privileges
+------------------------------------------------------------------------------+
| Check architectures |
+------------------------------------------------------------------------------+
Arch check ok (armhf included in any all)
+------------------------------------------------------------------------------+
| Install package build dependencies |
+------------------------------------------------------------------------------+
Setup apt archive
-----------------
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 '/<<BUILDDIR>>/resolver-cmtAau/apt_archive/sbuild-build-depends-chemps2-dummy.deb'.
dpkg-scanpackages: warning: Packages in archive but missing from override file:
dpkg-scanpackages: warning: sbuild-build-depends-chemps2-dummy sbuild-build-depends-core-dummy
dpkg-scanpackages: info: Wrote 2 entries to output Packages file.
gpg: using "Sbuild Signer" as default secret key for signing
Ign:1 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ InRelease
Get:2 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ Release [963 B]
Get:3 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ Release.gpg [370 B]
Get:4 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ Sources [603 B]
Get:5 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ Packages [685 B]
Fetched 2621 B in 0s (4280 B/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
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:
fuse2fs gnupg-l10n libfuse2 manpages
Use 'apt autoremove' to remove them.
The following additional packages will be installed:
autoconf automake autopoint autotools-dev bsdmainutils cmake cmake-data cpp
cython debhelper dh-autoreconf dh-python dh-strip-nondeterminism
docutils-common file fonts-mathjax gcc gettext gettext-base gfortran
gfortran-6 groff-base hdf5-helpers intltool-debian libaec-dev libaec0
libarchive-zip-perl libarchive13 libblas-common libblas-dev libblas3 libbsd0
libcroco3 libcurl3 libexpat1 libexpat1-dev libffi6
libfile-stripnondeterminism-perl libgfortran-6-dev libgfortran3 libglib2.0-0
libgnutls30 libgssapi-krb5-2 libhdf5-100 libhdf5-cpp-100 libhdf5-dev
libhogweed4 libicu57 libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev
libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1
libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack-dev liblapack3
libldap-2.4-2 libldap-common liblzo2-2 libmagic-mgc libmagic1 libmpdec2
libnettle6 libnghttp2-14 libp11-kit0 libpipeline1 libpython-dev
libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal
libpython2.7-stdlib libpython3-stdlib libpython3.5-minimal
libpython3.5-stdlib librtmp1 libsasl2-2 libsasl2-modules-db libsigsegv2
libssh2-1 libssl1.0.2 libsz2 libtasn1-6 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 cpp-doc cython-doc dh-make
gcc-multilib manpages-dev flex bison gdb gcc-doc gettext-doc libasprintf-dev
libgettextpo-dev gfortran-doc gfortran-6-doc libgfortran3-dbg
libcoarrays-dev groff lrzip liblapack-doc-man liblapack-doc gnutls-bin
krb5-doc krb5-user 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 ca-certificates libglib2.0-data
shared-mime-info xdg-user-dirs javascript-common krb5-locales
libsasl2-modules 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 libbsd0
libcroco3 libcurl3 libexpat1 libexpat1-dev libffi6
libfile-stripnondeterminism-perl libgfortran-6-dev libgfortran3 libglib2.0-0
libgnutls30 libgssapi-krb5-2 libhdf5-100 libhdf5-cpp-100 libhdf5-dev
libhogweed4 libicu57 libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev
libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore libjsoncpp1
libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack-dev liblapack3
libldap-2.4-2 libldap-common liblzo2-2 libmagic-mgc libmagic1 libmpdec2
libnettle6 libnghttp2-14 libp11-kit0 libpipeline1 libpython-dev
libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal
libpython2.7-stdlib libpython3-stdlib libpython3.5-minimal
libpython3.5-stdlib librtmp1 libsasl2-2 libsasl2-modules-db libsigsegv2
libssh2-1 libssl1.0.2 libsz2 libtasn1-6 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
The following packages will be upgraded:
cpp gcc
2 upgraded, 124 newly installed, 0 to remove and 1 not upgraded.
Need to get 91.2 MB/92.5 MB of archives.
After this operation, 311 MB of additional disk space will be used.
Get:1 copy:/<<BUILDDIR>>/resolver-cmtAau/apt_archive ./ sbuild-build-depends-chemps2-dummy 0.invalid.0 [892 B]
Get:2 http://172.17.0.1/private stretch-staging/main armhf groff-base armhf 1.22.3-8 [1087 kB]
Get:3 http://172.17.0.1/private stretch-staging/main armhf libbsd0 armhf 0.8.3-1 [89.0 kB]
Get:4 http://172.17.0.1/private stretch-staging/main armhf bsdmainutils armhf 9.0.12 [178 kB]
Get:5 http://172.17.0.1/private stretch-staging/main armhf libpipeline1 armhf 1.4.1-2 [23.7 kB]
Get:6 http://172.17.0.1/private stretch-staging/main armhf man-db armhf 2.7.5-2 [971 kB]
Get:7 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-minimal armhf 2.7.12-7 [389 kB]
Get:8 http://172.17.0.1/private stretch-staging/main armhf python2.7-minimal armhf 2.7.12-7 [1177 kB]
Get:9 http://172.17.0.1/private stretch-staging/main armhf python-minimal armhf 2.7.11-2 [40.3 kB]
Get:10 http://172.17.0.1/private stretch-staging/main armhf mime-support all 3.60 [36.7 kB]
Get:11 http://172.17.0.1/private stretch-staging/main armhf libexpat1 armhf 2.2.0-1 [61.7 kB]
Get:12 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-stdlib armhf 2.7.12-7 [1853 kB]
Get:13 http://172.17.0.1/private stretch-staging/main armhf python2.7 armhf 2.7.12-7 [284 kB]
Get:14 http://172.17.0.1/private stretch-staging/main armhf libpython-stdlib armhf 2.7.11-2 [19.8 kB]
Get:15 http://172.17.0.1/private stretch-staging/main armhf python armhf 2.7.11-2 [153 kB]
Get:16 http://172.17.0.1/private stretch-staging/main armhf cmake-data all 3.7.0-1 [1215 kB]
Get:17 http://172.17.0.1/private stretch-staging/main armhf liblzo2-2 armhf 2.08-1.2 [47.6 kB]
Get:18 http://172.17.0.1/private stretch-staging/main armhf libicu57 armhf 57.1-5 [7427 kB]
Get:19 http://172.17.0.1/private stretch-staging/main armhf libxml2 armhf 2.9.4+dfsg1-2.1 [804 kB]
Get:20 http://172.17.0.1/private stretch-staging/main armhf libarchive13 armhf 3.2.1-5 [252 kB]
Get:21 http://172.17.0.1/private stretch-staging/main armhf libkeyutils1 armhf 1.5.9-9 [11.9 kB]
Get:22 http://172.17.0.1/private stretch-staging/main armhf libkrb5support0 armhf 1.15~beta1-1 [57.6 kB]
Get:23 http://172.17.0.1/private stretch-staging/main armhf libk5crypto3 armhf 1.15~beta1-1 [114 kB]
Get:24 http://172.17.0.1/private stretch-staging/main armhf libkrb5-3 armhf 1.15~beta1-1 [263 kB]
Get:25 http://172.17.0.1/private stretch-staging/main armhf libgssapi-krb5-2 armhf 1.15~beta1-1 [131 kB]
Get:26 http://172.17.0.1/private stretch-staging/main armhf libgnutls30 armhf 3.5.6-7 [760 kB]
Get:27 http://172.17.0.1/private stretch-staging/main armhf libsasl2-modules-db armhf 2.1.27~101-g0780600+dfsg-1 [66.7 kB]
Get:28 http://172.17.0.1/private stretch-staging/main armhf libsasl2-2 armhf 2.1.27~101-g0780600+dfsg-1 [97.9 kB]
Get:29 http://172.17.0.1/private stretch-staging/main armhf libldap-common all 2.4.44+dfsg-1+rpi1 [84.3 kB]
Get:30 http://172.17.0.1/private stretch-staging/main armhf libldap-2.4-2 armhf 2.4.44+dfsg-1+rpi1 [194 kB]
Get:31 http://172.17.0.1/private stretch-staging/main armhf libnghttp2-14 armhf 1.17.0-1 [70.1 kB]
Get:32 http://172.17.0.1/private stretch-staging/main armhf librtmp1 armhf 2.4+20151223.gitfa8646d.1-1 [54.2 kB]
Get:33 http://172.17.0.1/private stretch-staging/main armhf libssh2-1 armhf 1.7.0-1 [125 kB]
Get:34 http://172.17.0.1/private stretch-staging/main armhf libcurl3 armhf 7.50.1-1 [251 kB]
Get:35 http://172.17.0.1/private stretch-staging/main armhf libjsoncpp1 armhf 1.7.4-3 [66.2 kB]
Get:36 http://172.17.0.1/private stretch-staging/main armhf libuv1 armhf 1.9.1-3 [73.2 kB]
Get:37 http://172.17.0.1/private stretch-staging/main armhf cmake armhf 3.7.0-1 [2404 kB]
Get:38 http://172.17.0.1/private stretch-staging/main armhf libpython3.5-minimal armhf 3.5.2-8 [566 kB]
Get:39 http://172.17.0.1/private stretch-staging/main armhf python3.5-minimal armhf 3.5.2-8 [1443 kB]
Get:40 http://172.17.0.1/private stretch-staging/main armhf python3-minimal armhf 3.5.1-4 [35.3 kB]
Get:41 http://172.17.0.1/private stretch-staging/main armhf libmpdec2 armhf 2.4.2-1 [67.5 kB]
Get:42 http://172.17.0.1/private stretch-staging/main armhf libpython3.5-stdlib armhf 3.5.2-8 [2090 kB]
Get:43 http://172.17.0.1/private stretch-staging/main armhf python3.5 armhf 3.5.2-8 [227 kB]
Get:44 http://172.17.0.1/private stretch-staging/main armhf libpython3-stdlib armhf 3.5.1-4 [18.6 kB]
Get:45 http://172.17.0.1/private stretch-staging/main armhf dh-python all 2.20160818 [83.0 kB]
Get:46 http://172.17.0.1/private stretch-staging/main armhf python3 armhf 3.5.1-4 [21.7 kB]
Get:47 http://172.17.0.1/private stretch-staging/main armhf sgml-base all 1.29 [14.8 kB]
Get:48 http://172.17.0.1/private stretch-staging/main armhf libmagic-mgc armhf 1:5.29-1 [219 kB]
Get:49 http://172.17.0.1/private stretch-staging/main armhf libmagic1 armhf 1:5.29-1 [104 kB]
Get:50 http://172.17.0.1/private stretch-staging/main armhf file armhf 1:5.29-1 [63.3 kB]
Get:51 http://172.17.0.1/private stretch-staging/main armhf gettext-base armhf 0.19.8.1-1 [117 kB]
Get:52 http://172.17.0.1/private stretch-staging/main armhf libpython2.7 armhf 2.7.12-7 [914 kB]
Get:53 http://172.17.0.1/private stretch-staging/main armhf libsigsegv2 armhf 2.10-5 [28.4 kB]
Get:54 http://172.17.0.1/private stretch-staging/main armhf m4 armhf 1.4.17-5 [239 kB]
Get:55 http://172.17.0.1/private stretch-staging/main armhf autoconf all 2.69-10 [338 kB]
Get:56 http://172.17.0.1/private stretch-staging/main armhf autotools-dev all 20161112.1 [73.4 kB]
Get:57 http://172.17.0.1/private stretch-staging/main armhf automake all 1:1.15-5 [733 kB]
Get:58 http://172.17.0.1/private stretch-staging/main armhf autopoint all 0.19.8.1-1 [433 kB]
Get:59 http://172.17.0.1/private stretch-staging/main armhf cpp armhf 4:6.2.1-1 [18.5 kB]
Get:60 http://172.17.0.1/private stretch-staging/main armhf cython armhf 0.23.4+git4-g7eed8d8-2 [1452 kB]
Get:61 http://172.17.0.1/private stretch-staging/main armhf gcc armhf 4:6.2.1-1 [5188 B]
Get:62 http://172.17.0.1/private stretch-staging/main armhf libtool all 2.4.6-2 [545 kB]
Get:63 http://172.17.0.1/private stretch-staging/main armhf dh-autoreconf all 12 [15.8 kB]
Get:64 http://172.17.0.1/private stretch-staging/main armhf libarchive-zip-perl all 1.59-1 [95.5 kB]
Get:65 http://172.17.0.1/private stretch-staging/main armhf libfile-stripnondeterminism-perl all 0.028-1 [14.6 kB]
Get:66 http://172.17.0.1/private stretch-staging/main armhf dh-strip-nondeterminism all 0.028-1 [9020 B]
Get:67 http://172.17.0.1/private stretch-staging/main armhf libglib2.0-0 armhf 2.50.2-2 [2527 kB]
Get:68 http://172.17.0.1/private stretch-staging/main armhf libcroco3 armhf 0.6.11-2 [131 kB]
Get:69 http://172.17.0.1/private stretch-staging/main armhf libunistring0 armhf 0.9.6+really0.9.3-0.1 [252 kB]
Get:70 http://172.17.0.1/private stretch-staging/main armhf gettext armhf 0.19.8.1-1 [1433 kB]
Get:71 http://172.17.0.1/private stretch-staging/main armhf intltool-debian all 0.35.0+20060710.4 [26.3 kB]
Get:72 http://172.17.0.1/private stretch-staging/main armhf po-debconf all 1.0.20 [247 kB]
Get:73 http://172.17.0.1/private stretch-staging/main armhf debhelper all 10.2.2 [826 kB]
Get:74 http://172.17.0.1/private stretch-staging/main armhf xml-core all 0.17 [23.2 kB]
Get:75 http://172.17.0.1/private stretch-staging/main armhf docutils-common all 0.12+dfsg-2 [187 kB]
Get:76 http://172.17.0.1/private stretch-staging/main armhf fonts-mathjax all 2.7.0-1 [960 kB]
Get:77 http://172.17.0.1/private stretch-staging/main armhf libgfortran3 armhf 6.2.1-5+rpi1 [166 kB]
Get:78 http://172.17.0.1/private stretch-staging/main armhf libgfortran-6-dev armhf 6.2.1-5+rpi1 [199 kB]
Get:79 http://172.17.0.1/private stretch-staging/main armhf gfortran-6 armhf 6.2.1-5+rpi1 [5414 kB]
Get:80 http://172.17.0.1/private stretch-staging/main armhf gfortran armhf 4:6.2.1-1 [1340 B]
Get:81 http://172.17.0.1/private stretch-staging/main armhf hdf5-helpers armhf 1.10.0-patch1+docs-1 [35.7 kB]
Get:82 http://172.17.0.1/private stretch-staging/main armhf libaec0 armhf 0.3.2-1 [19.4 kB]
Get:83 http://172.17.0.1/private stretch-staging/main armhf libblas-common armhf 3.6.1-2 [13.9 kB]
Get:84 http://172.17.0.1/private stretch-staging/main armhf libblas3 armhf 3.6.1-2 [112 kB]
Get:85 http://172.17.0.1/private stretch-staging/main armhf libblas-dev armhf 3.6.1-2 [18.9 kB]
Get:86 http://172.17.0.1/private stretch-staging/main armhf libexpat1-dev armhf 2.2.0-1 [117 kB]
Get:87 http://172.17.0.1/private stretch-staging/main armhf libsz2 armhf 0.3.2-1 [5836 B]
Get:88 http://172.17.0.1/private stretch-staging/main armhf libhdf5-100 armhf 1.10.0-patch1+docs-1 [1201 kB]
Get:89 http://172.17.0.1/private stretch-staging/main armhf libhdf5-cpp-100 armhf 1.10.0-patch1+docs-1 [118 kB]
Get:90 http://172.17.0.1/private stretch-staging/main armhf zlib1g-dev armhf 1:1.2.8.dfsg-2+b1 [197 kB]
Get:91 http://172.17.0.1/private stretch-staging/main armhf libjpeg62-turbo armhf 1:1.5.1-2 [109 kB]
Get:92 http://172.17.0.1/private stretch-staging/main armhf libjpeg62-turbo-dev armhf 1:1.5.1-2 [181 kB]
Get:93 http://172.17.0.1/private stretch-staging/main armhf libjpeg-dev all 1:1.5.1-2 [56.1 kB]
Get:94 http://172.17.0.1/private stretch-staging/main armhf libaec-dev armhf 0.3.2-1 [17.6 kB]
Get:95 http://172.17.0.1/private stretch-staging/main armhf libhdf5-dev armhf 1.10.0-patch1+docs-1 [2093 kB]
Get:96 http://172.17.0.1/private stretch-staging/main armhf libjs-jquery all 3.1.1-1 [154 kB]
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Get:99 http://172.17.0.1/private stretch-staging/main armhf liblapack3 armhf 3.6.1-2 [1392 kB]
Get:100 http://172.17.0.1/private stretch-staging/main armhf liblapack-dev armhf 3.6.1-2 [1379 kB]
Get:101 http://172.17.0.1/private stretch-staging/main armhf libpython2.7-dev armhf 2.7.12-7 [27.6 MB]
Get:102 http://172.17.0.1/private stretch-staging/main armhf libpython-dev armhf 2.7.11-2 [19.8 kB]
Get:103 http://172.17.0.1/private stretch-staging/main armhf python-all armhf 2.7.11-2 [940 B]
Get:104 http://172.17.0.1/private stretch-staging/main armhf python-babel-localedata all 2.3.4+dfsg.1-2 [3402 kB]
Get:105 http://172.17.0.1/private stretch-staging/main armhf python-pkg-resources all 28.7.1-1 [164 kB]
Get:106 http://172.17.0.1/private stretch-staging/main armhf python-tz all 2016.7-0.2 [33.5 kB]
Get:107 http://172.17.0.1/private stretch-staging/main armhf python-babel all 2.3.4+dfsg.1-2 [82.5 kB]
Get:108 http://172.17.0.1/private stretch-staging/main armhf python-roman all 2.0.0-2 [8130 B]
Get:109 http://172.17.0.1/private stretch-staging/main armhf python-docutils all 0.12+dfsg-2 [360 kB]
Get:110 http://172.17.0.1/private stretch-staging/main armhf python-imagesize all 0.7.1-1 [3814 B]
Get:111 http://172.17.0.1/private stretch-staging/main armhf python-markupsafe armhf 0.23-3 [14.2 kB]
Get:112 http://172.17.0.1/private stretch-staging/main armhf python-jinja2 all 2.8-1 [111 kB]
Get:113 http://172.17.0.1/private stretch-staging/main armhf python-numpy armhf 1:1.11.2-1 [1606 kB]
Get:114 http://172.17.0.1/private stretch-staging/main armhf python-pygments all 2.1.3+dfsg-1 [535 kB]
Get:115 http://172.17.0.1/private stretch-staging/main armhf python-setuptools all 28.7.1-1 [218 kB]
Get:116 http://172.17.0.1/private stretch-staging/main armhf python-six all 1.10.0-3 [14.4 kB]
Get:117 http://172.17.0.1/private stretch-staging/main armhf python-alabaster all 0.7.8-1 [18.4 kB]
Get:118 http://172.17.0.1/private stretch-staging/main armhf sphinx-common all 1.4.8-2 [349 kB]
Get:119 http://172.17.0.1/private stretch-staging/main armhf python-sphinx all 1.4.8-2 [431 kB]
Get:120 http://172.17.0.1/private stretch-staging/main armhf libjs-mathjax all 2.7.0-1 [5551 kB]
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W: No sandbox user '_apt' on the system, can not drop privileges
+------------------------------------------------------------------------------+
| Build environment |
+------------------------------------------------------------------------------+
Kernel: Linux 3.19.0-trunk-armmp armhf (armv7l)
Toolchain package versions: binutils_2.27.51.20161127-1 dpkg-dev_1.18.15 g++-6_6.2.1-5+rpi1 gcc-6_6.2.1-5+rpi1 libc6-dev_2.24-7+rpi1 libstdc++-4.9-dev_4.9.3-14 libstdc++-6-dev_6.2.1-5+rpi1 libstdc++6_6.2.1-5+rpi1 linux-libc-dev_3.18.5-1~exp1+rpi19+stretch
Package versions: acl_2.2.52-3 adduser_3.115 apt_1.4~beta1 autoconf_2.69-10 automake_1:1.15-5 autopoint_0.19.8.1-1 autotools-dev_20161112.1 base-files_9.7+rpi1 base-passwd_3.5.41 bash_4.4-2 binutils_2.27.51.20161127-1 bsdmainutils_9.0.12 bsdutils_1:2.29-1 build-essential_12.2 bzip2_1.0.6-8 cmake_3.7.0-1 cmake-data_3.7.0-1 coreutils_8.25-2 cpio_2.11+dfsg-6 cpp_4:6.2.1-1 cpp-6_6.2.1-5+rpi1 cython_0.23.4+git4-g7eed8d8-2 dash_0.5.8-2.3 debconf_1.5.59 debfoster_2.7-2.1 debhelper_10.2.2 debianutils_4.8.1 dh-autoreconf_12 dh-python_2.20160818 dh-strip-nondeterminism_0.028-1 diffutils_1:3.5-1 dmsetup_2:1.02.136-1 docutils-common_0.12+dfsg-2 dpkg_1.18.15 dpkg-dev_1.18.15 e2fslibs_1.43.3-1 e2fsprogs_1.43.3-1 fakeroot_1.21-2 file_1:5.29-1 findutils_4.6.0+git+20161106-1 fonts-mathjax_2.7.0-1 fuse2fs_1.43.3-1 g++_4:6.1.1-1 g++-6_6.2.1-5+rpi1 gcc_4:6.2.1-1 gcc-4.6-base_4.6.4-5+rpi1 gcc-4.7-base_4.7.3-11+rpi1 gcc-4.8-base_4.8.5-4 gcc-4.9-base_4.9.3-14 gcc-6_6.2.1-5+rpi1 gcc-6-base_6.2.1-5+rpi1 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libjs-mathjax_2.7.0-1 libjs-sphinxdoc_1.4.8-2 libjs-underscore_1.8.3~dfsg-1 libjsoncpp1_1.7.4-3 libk5crypto3_1.15~beta1-1 libkeyutils1_1.5.9-9 libklibc_2.0.4-9+rpi1 libkmod2_23-1 libkrb5-3_1.15~beta1-1 libkrb5support0_1.15~beta1-1 libksba8_1.3.5-2 liblapack-dev_3.6.1-2 liblapack3_3.6.1-2 libldap-2.4-2_2.4.44+dfsg-1+rpi1 libldap-common_2.4.44+dfsg-1+rpi1 liblz4-1_0.0~r131-2 liblzma5_5.2.2-1.2 liblzo2-2_2.08-1.2 libmagic-mgc_1:5.29-1 libmagic1_1:5.29-1 libmount1_2.29-1 libmpc3_1.0.3-1 libmpdec2_2.4.2-1 libmpfr4_3.1.5-1 libncurses5_6.0+20160917-1 libncursesw5_6.0+20160917-1 libnettle6_3.3-1 libnghttp2-14_1.17.0-1 libnpth0_1.3-1 libp11-kit0_0.23.2-5 libpam-modules_1.1.8-3.3 libpam-modules-bin_1.1.8-3.3 libpam-runtime_1.1.8-3.3 libpam0g_1.1.8-3.3 libpcre3_2:8.39-2 libperl5.24_5.24.1~rc4-1 libpipeline1_1.4.1-2 libpng12-0_1.2.54-6 libprocps3_2:3.3.9-9 libprocps6_2:3.3.12-3 libpython-dev_2.7.11-2 libpython-stdlib_2.7.11-2 libpython2.7_2.7.12-7 libpython2.7-dev_2.7.12-7 libpython2.7-minimal_2.7.12-7 libpython2.7-stdlib_2.7.12-7 libpython3-stdlib_3.5.1-4 libpython3.5-minimal_3.5.2-8 libpython3.5-stdlib_3.5.2-8 libreadline7_7.0-1 librtmp1_2.4+20151223.gitfa8646d.1-1 libsasl2-2_2.1.27~101-g0780600+dfsg-1 libsasl2-modules-db_2.1.27~101-g0780600+dfsg-1 libseccomp2_2.3.1-2.1 libselinux1_2.6-3 libsemanage-common_2.6-1 libsemanage1_2.6-1 libsepol1_2.6-1 libsigsegv2_2.10-5 libslang2_2.3.1-5 libsmartcols1_2.29-1 libsqlite3-0_3.15.2-1 libss2_1.43.3-1 libssh2-1_1.7.0-1 libssl1.0.2_1.0.2j-4 libstdc++-4.9-dev_4.9.3-14 libstdc++-6-dev_6.2.1-5+rpi1 libstdc++6_6.2.1-5+rpi1 libsystemd0_232-6 libsz2_0.3.2-1 libtasn1-6_4.9-4 libtimedate-perl_2.3000-2 libtinfo5_6.0+20160917-1 libtool_2.4.6-2 libubsan0_6.2.1-5+rpi1 libudev1_232-6 libunistring0_0.9.6+really0.9.3-0.1 libusb-0.1-4_2:0.1.12-30 libustr-1.0-1_1.0.4-6 libuuid1_2.29-1 libuv1_1.9.1-3 libxml2_2.9.4+dfsg1-2.1 linux-libc-dev_3.18.5-1~exp1+rpi19+stretch login_1:4.2-3.3 lsb-base_9.20161125+rpi1 m4_1.4.17-5 make_4.1-9 makedev_2.3.1-93 man-db_2.7.5-2 manpages_4.08-1 mawk_1.3.3-17 mime-support_3.60 mount_2.29-1 multiarch-support_2.24-7+rpi1 nano_2.7.1-1 ncurses-base_6.0+20160917-1 ncurses-bin_6.0+20160917-1 passwd_1:4.2-3.3 patch_2.7.5-1 perl_5.24.1~rc4-1 perl-base_5.24.1~rc4-1 perl-modules-5.24_5.24.1~rc4-1 pinentry-curses_0.9.7-9 po-debconf_1.0.20 procps_2:3.3.12-3 python_2.7.11-2 python-alabaster_0.7.8-1 python-all_2.7.11-2 python-babel_2.3.4+dfsg.1-2 python-babel-localedata_2.3.4+dfsg.1-2 python-docutils_0.12+dfsg-2 python-imagesize_0.7.1-1 python-jinja2_2.8-1 python-markupsafe_0.23-3 python-minimal_2.7.11-2 python-numpy_1:1.11.2-1 python-pkg-resources_28.7.1-1 python-pygments_2.1.3+dfsg-1 python-roman_2.0.0-2 python-setuptools_28.7.1-1 python-six_1.10.0-3 python-sphinx_1.4.8-2 python-tz_2016.7-0.2 python2.7_2.7.12-7 python2.7-minimal_2.7.12-7 python3_3.5.1-4 python3-minimal_3.5.1-4 python3.5_3.5.2-8 python3.5-minimal_3.5.2-8 raspbian-archive-keyring_20120528.2 readline-common_7.0-1 sbuild-build-depends-chemps2-dummy_0.invalid.0 sbuild-build-depends-core-dummy_0.invalid.0 sed_4.2.2-8 sensible-utils_0.0.9 sgml-base_1.29 sphinx-common_1.4.8-2 startpar_0.59-3.1 systemd_232-6 systemd-sysv_232-6 sysv-rc_2.88dsf-59.8 sysvinit-utils_2.88dsf-59.8 tar_1.29b-1.1 tzdata_2016j-2 udev_232-6 util-linux_2.29-1 xml-core_0.17 xz-utils_5.2.2-1.2 zlib1g_1:1.2.8.dfsg-2+b1 zlib1g-dev_1:1.2.8.dfsg-2+b1
+------------------------------------------------------------------------------+
| Build |
+------------------------------------------------------------------------------+
Unpack source
-------------
gpgv: unknown type of key resource 'trustedkeys.kbx'
gpgv: keyblock resource '/sbuild-nonexistent/.gnupg/trustedkeys.kbx': General error
gpgv: Signature made Thu Nov 17 09:28:51 2016 UTC
gpgv: using RSA key AFCFEC8E669CE1C2
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 /<<PKGBUILDDIR>>
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=/sbuild-nonexistent
LC_ALL=POSIX
LOGNAME=buildd
PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games
SCHROOT_ALIAS_NAME=stretch-staging-armhf-sbuild
SCHROOT_CHROOT_NAME=stretch-staging-armhf-sbuild
SCHROOT_COMMAND=env
SCHROOT_GID=109
SCHROOT_GROUP=buildd
SCHROOT_SESSION_ID=stretch-staging-armhf-sbuild-23b34d94-1bf0-494f-97ff-6f5f2c21792c
SCHROOT_UID=104
SCHROOT_USER=buildd
SHELL=/bin/sh
TERM=linux
USER=buildd
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 armhf
fakeroot debian/rules clean
dh clean --with python2
dh_testdir
dh_auto_clean
debian/rules override_dh_clean
make[1]: Entering directory '/<<PKGBUILDDIR>>'
dh_clean
rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
debian/rules build-arch
dh build-arch --with python2
dh_testdir -a
dh_update_autotools_config -a
debian/rules override_dh_auto_configure
make[1]: Entering directory '/<<PKGBUILDDIR>>'
dh_auto_configure -- -DCMAKE_INSTALL_LIBDIR=lib/arm-linux-gnueabihf \
-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/arm-linux-gnueabihf -DENABLE_XHOST=OFF -DBUILD_SPHINX=ON -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial -DCMAKE_BUILD_TYPE=release
-- The C compiler identification is GNU 6.2.1
-- The CXX compiler identification is GNU 6.2.1
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- 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/c++
-- Check for working CXX compiler: /usr/bin/c++ -- 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/arm-linux-gnueabihf/hdf5/serial/libhdf5.so;/usr/lib/arm-linux-gnueabihf/libpthread.so;/usr/lib/arm-linux-gnueabihf/libsz.so;/usr/lib/arm-linux-gnueabihf/libz.so;/usr/lib/arm-linux-gnueabihf/libdl.so;/usr/lib/arm-linux-gnueabihf/libm.so (found version "1.10.0.1")
-- Found Sphinx: /usr/bin/sphinx-build
-- Configuring done
-- Generating done
-- Build files have been written to: /<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
debian/rules override_dh_auto_build
make[1]: Entering directory '/<<PKGBUILDDIR>>'
dh_auto_build
make -j1
make[2]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[3]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-base
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o
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[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o
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[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o
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[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o
[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o
[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o
[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o
[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o
[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o
[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o
[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o
[ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o
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[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o
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[ 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
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[ 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
[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o
[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o
[ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o
[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o
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[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 65%] Built target chemps2-base
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-shared
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 66%] Linking CXX shared library libchemps2.so
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 66%] Built target chemps2-shared
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-bin
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 67%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o
[ 68%] Linking CXX executable chemps2
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 68%] Built target chemps2-bin
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Scanning dependencies of target chemps2-static
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 69%] Linking CXX static library libchemps2.a
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASPT2.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCF.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/Correlations.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/Cumulant.cpp.o: plugin needed to handle lto object
/usr/bin/ar: CMakeFiles/chemps2-base.dir/Davidson.cpp.o: plugin needed to handle lto object
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make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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# 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-arm-linux-gnueabihf/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-arm-linux-gnueabihf/CheMPS2
running build_ext
cythoning PyCheMPS2.pyx to PyCheMPS2.cpp
building 'PyCheMPS2' extension
creating build
creating build/temp.linux-armv7l-2.7
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<PKGBUILDDIR>>=. -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-armv7l-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:251:
/usr/lib/python2.7/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: #warning "Using deprecated NumPy API, disable it by " "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
#warning "Using deprecated NumPy API, disable it by " \
^~~~~~~
creating build/lib.linux-armv7l-2.7
c++ -pthread -shared -Wl,-O1 -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-WTwoWK/python2.7-2.7.12=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -g -O2 -fdebug-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-2.7/PyCheMPS2.o -L../obj-arm-linux-gnueabihf/CheMPS2 -lchemps2 -o build/lib.linux-armv7l-2.7/PyCheMPS2.so
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
debian/rules override_dh_auto_test
make[1]: Entering directory '/<<PKGBUILDDIR>>'
cd obj-arm-linux-gnueabihf/ && ctest -R "^test3|^test5|^test8"
Test project /<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf
Start 3: test3
1/3 Test #3: test3 ............................ Passed 8.34 sec
Start 5: test5
2/3 Test #5: test5 ............................ Passed 16.49 sec
Start 8: test8
3/3 Test #8: test8 ............................ Passed 16.19 sec
100% tests passed, 0 tests failed out of 3
Total Test time (real) = 41.03 sec
cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-armv7l-2.7:.. \
LD_LIBRARY_PATH=../../obj-arm-linux-gnueabihf/CheMPS2:/usr/lib/arm-linux-gnueabihf/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) = 10
Energy at sites (8, 9) is -98.8131555815516
Stats: nIt(DAVIDSON) = 20
Energy at sites (7, 8) is -106.853368341767
Stats: nIt(DAVIDSON) = 58
Energy at sites (6, 7) is -106.872541058141
Stats: nIt(DAVIDSON) = 61
Energy at sites (5, 6) is -106.910747455992
Stats: nIt(DAVIDSON) = 43
Energy at sites (4, 5) is -107.634067420406
Stats: nIt(DAVIDSON) = 28
Energy at sites (3, 4) is -107.648005360135
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648005360135
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648005360135
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 3.905214 seconds
*** |--> S.join = 0.014766 seconds
*** |--> S.solve = 3.422254 seconds
*** |--> S.split = 0.028104 seconds
*** |--> Tensor update = 0.436189 seconds
*** |--> create = 0.098108 seconds
*** |--> destroy = 0.005662 seconds
*** |--> disk write = 0.148655 seconds
*** |--> disk read = 0.102987 seconds
*** |--> calc = 0.080506 seconds
*** Disk write bandwidth = 3.94174691859402 MB/s
*** Disk read bandwidth = 5.70891501608668 MB/s
*** Minimum energy = -107.648005360135
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648005360135
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648005360135
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648005360135
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648005360135
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.648022673563
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250524723
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250524723
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250524723
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.212619 seconds
*** |--> S.join = 0.020411 seconds
*** |--> S.solve = 0.607199 seconds
*** |--> S.split = 0.045641 seconds
*** |--> Tensor update = 0.534685 seconds
*** |--> create = 0.104356 seconds
*** |--> destroy = 0.006228 seconds
*** |--> disk write = 0.186985 seconds
*** |--> disk read = 0.11054 seconds
*** |--> calc = 0.126271 seconds
*** Disk write bandwidth = 3.1443379456198 MB/s
*** Disk read bandwidth = 5.30089006860497 MB/s
*** Minimum energy = -107.648250524723
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.648250524723
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.648250524723
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250524723
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250524723
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250524723
Stats: nIt(DAVIDSON) = 6
Energy at sites (4, 5) is -107.64825089007
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.648250972591
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972591
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972591
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.820721 seconds
*** |--> S.join = 0.014753 seconds
*** |--> S.solve = 0.289258 seconds
*** |--> S.split = 0.031981 seconds
*** |--> Tensor update = 0.480861 seconds
*** |--> create = 0.110829 seconds
*** |--> destroy = 0.006908 seconds
*** |--> disk write = 0.166337 seconds
*** |--> disk read = 0.120886 seconds
*** |--> calc = 0.075557 seconds
*** Disk write bandwidth = 3.52273028961442 MB/s
*** Disk read bandwidth = 4.86362383370877 MB/s
*** Minimum energy = -107.648250972591
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250972592
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972591
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972591
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250972591
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.64825097267
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.648250974
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250974001
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.660176 seconds
*** |--> S.join = 0.011055 seconds
*** |--> S.solve = 0.169231 seconds
*** |--> S.split = 0.019317 seconds
*** |--> Tensor update = 0.454835 seconds
*** |--> create = 0.129446 seconds
*** |--> destroy = 0.009159 seconds
*** |--> disk write = 0.143692 seconds
*** |--> disk read = 0.117375 seconds
*** |--> calc = 0.054886 seconds
*** Disk write bandwidth = 4.09169634190991 MB/s
*** Disk read bandwidth = 4.99220778005192 MB/s
*** Minimum energy = -107.648250974001
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.49277479219745e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.648250974001
*** Minimum energy encountered during the last sweep = -107.648250974001
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 6
Energy at sites (8, 9) is -107.648250974001
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.648250974002
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -107.648250974003
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.648250974003
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.648250974007
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.648250974013
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 = 1.330509 seconds
*** |--> S.join = 0.004897 seconds
*** |--> S.solve = 0.88914 seconds
*** |--> S.split = 0.01869 seconds
*** |--> Tensor update = 0.413815 seconds
*** |--> create = 0.098456 seconds
*** |--> destroy = 0.005421 seconds
*** |--> disk write = 0.152252 seconds
*** |--> disk read = 0.103396 seconds
*** |--> calc = 0.054001 seconds
*** Disk write bandwidth = 3.84862194377475 MB/s
*** Disk read bandwidth = 5.68633245736507 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) = 8
Energy at sites (4, 5) is -107.648250974013
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250974014
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 = 0.702098 seconds
*** |--> S.join = 0.002563 seconds
*** |--> S.solve = 0.316507 seconds
*** |--> S.split = 0.009235 seconds
*** |--> Tensor update = 0.370175 seconds
*** |--> create = 0.096329 seconds
*** |--> destroy = 0.005083 seconds
*** |--> disk write = 0.139417 seconds
*** |--> disk read = 0.096044 seconds
*** |--> calc = 0.033061 seconds
*** Disk write bandwidth = 4.21716168588995 MB/s
*** Disk read bandwidth = 6.10095777126727 MB/s
*** Minimum energy = -107.648250974014
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.27613475342514e-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) = -107.648250974014
NOON of irrep Ag = [ 1.99999530444269 , 1.99487994125399 , 1.98267954070815 ].
NOON of irrep B2g = [ 0.0748715524351311 ].
NOON of irrep B3g = [ 0.0748715521964487 ].
NOON of irrep B1u = [ 1.99999681839219 , 1.98658242710338 , 0.0188079712246444 ].
NOON of irrep B2u = [ 1.93365744609819 ].
NOON of irrep B3u = [ 1.93365744614517 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009429118718 , 0.0515866780441714 , 0.0764971083574141 , 0.257716819157657 , 0.257716818790655 , 8.47155301148431e-05 , 0.0462800404746439 , 0.100736303438346 , 0.241506019813475 , 0.241506019650012 ].
Idistance(0) = 1.30939331236096
Idistance(1) = 5.4240299953402
Idistance(2) = 26.7355488051743
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.010696 seconds
*** |--> MPS gauge change = 0.006318 seconds
*** |--> Diagram calc = 0.057099 seconds
*** |--> Tensor update = 0.939244 seconds
*** |--> create = 0.226432 seconds
*** |--> destroy = 0.013482 seconds
*** |--> disk write = 0.335705 seconds
*** |--> disk read = 0.230788 seconds
*** |--> calc = 0.131731 seconds
*** Disk write bandwidth = 3.54664974235657 MB/s
*** Disk read bandwidth = 5.15896862816876 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 = 0.024083 seconds
FCI::matvec : Wall time = 0.023966 seconds
FCI::matvec : Wall time = 0.023909 seconds
FCI::matvec : Wall time = 0.023917 seconds
FCI::matvec : Wall time = 0.02391 seconds
FCI::matvec : Wall time = 0.024031 seconds
FCI::matvec : Wall time = 0.023999 seconds
FCI::matvec : Wall time = 0.024019 seconds
FCI::matvec : Wall time = 0.023994 seconds
FCI::matvec : Wall time = 0.024044 seconds
FCI::matvec : Wall time = 0.023988 seconds
FCI::matvec : Wall time = 0.024056 seconds
FCI::matvec : Wall time = 0.0240520000000001 seconds
FCI::matvec : Wall time = 0.024037 seconds
FCI::matvec : Wall time = 0.024105 seconds
FCI::matvec : Wall time = 0.025408 seconds
FCI::matvec : Wall time = 0.06001 seconds
FCI::matvec : Wall time = 0.049652 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 =', 1.1763349157206757e-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 -103.382769978738
Stats: nIt(DAVIDSON) = 29
Energy at sites (7, 8) is -106.339231628007
Stats: nIt(DAVIDSON) = 38
Energy at sites (6, 7) is -106.379614900922
Stats: nIt(DAVIDSON) = 61
Energy at sites (5, 6) is -107.318137125567
Stats: nIt(DAVIDSON) = 36
Energy at sites (4, 5) is -107.325726478133
Stats: nIt(DAVIDSON) = 23
Energy at sites (3, 4) is -107.328763377106
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -107.32876435728
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.32876435728
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 4.854575 seconds
*** |--> S.join = 0.003162 seconds
*** |--> S.solve = 4.361181 seconds
*** |--> S.split = 0.018432 seconds
*** |--> Tensor update = 0.46603 seconds
*** |--> create = 0.121998 seconds
*** |--> destroy = 0.004998 seconds
*** |--> disk write = 0.164316 seconds
*** |--> disk read = 0.121478 seconds
*** |--> calc = 0.052991 seconds
*** Disk write bandwidth = 5.1414697572294 MB/s
*** Disk read bandwidth = 6.92472531838327 MB/s
*** Minimum energy = -107.32876435728
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.32876435728
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.32876435728
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.32876435728
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.328764358137
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.328766946103
Stats: nIt(DAVIDSON) = 7
Energy at sites (5, 6) is -107.328768889975
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768889975
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768889975
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.955259 seconds
*** |--> S.join = 0.003027 seconds
*** |--> S.solve = 0.452905 seconds
*** |--> S.split = 0.016006 seconds
*** |--> Tensor update = 0.475609 seconds
*** |--> create = 0.148096 seconds
*** |--> destroy = 0.005216 seconds
*** |--> disk write = 0.14584 seconds
*** |--> disk read = 0.110221 seconds
*** |--> calc = 0.065979 seconds
*** Disk write bandwidth = 5.76797711345696 MB/s
*** Disk read bandwidth = 7.66483469238082 MB/s
*** Minimum energy = -107.328768889975
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.328768889975
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.328768889975
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768889975
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768889975
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768889975
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.328768890553
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.328768897979
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.328768897986
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897986
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.62679 seconds
*** |--> S.join = 0.007017 seconds
*** |--> S.solve = 0.199155 seconds
*** |--> S.split = 0.011912 seconds
*** |--> Tensor update = 0.405549 seconds
*** |--> create = 0.109875 seconds
*** |--> destroy = 0.005181 seconds
*** |--> disk write = 0.140437 seconds
*** |--> disk read = 0.098681 seconds
*** |--> calc = 0.051133 seconds
*** Disk write bandwidth = 6.01569205144589 MB/s
*** Disk read bandwidth = 8.52445538884448 MB/s
*** Minimum energy = -107.328768897986
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768897986
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897986
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768897986
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768897986
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 = 0.667372 seconds
*** |--> S.join = 0.004578 seconds
*** |--> S.solve = 0.143462 seconds
*** |--> S.split = 0.020391 seconds
*** |--> Tensor update = 0.494758 seconds
*** |--> create = 0.125412 seconds
*** |--> destroy = 0.01056 seconds
*** |--> disk write = 0.197778 seconds
*** |--> disk read = 0.107333 seconds
*** |--> calc = 0.053403 seconds
*** Disk write bandwidth = 4.25326265927738 MB/s
*** Disk read bandwidth = 7.87107175452942 MB/s
*** Minimum energy = -107.328768898019
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 8.04365640760807e-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) = 7
Energy at sites (8, 9) is -107.32876889802
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -107.328768898026
Stats: nIt(DAVIDSON) = 14
Energy at sites (6, 7) is -107.328768898032
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.328768898032
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.328768898032
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.328768898032
Stats: nIt(DAVIDSON) = 9
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 = 1.839153 seconds
*** |--> S.join = 0.019574 seconds
*** |--> S.solve = 1.378288 seconds
*** |--> S.split = 0.011697 seconds
*** |--> Tensor update = 0.427093 seconds
*** |--> create = 0.10953 seconds
*** |--> destroy = 0.005329 seconds
*** |--> disk write = 0.152929 seconds
*** |--> disk read = 0.099761 seconds
*** |--> calc = 0.059297 seconds
*** Disk write bandwidth = 5.52430045726387 MB/s
*** Disk read bandwidth = 8.43217071026315 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) = 7
Energy at sites (3, 4) is -107.328768898033
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.328768898032
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 = 0.975759 seconds
*** |--> S.join = 0.005834 seconds
*** |--> S.solve = 0.551811 seconds
*** |--> S.split = 0.012193 seconds
*** |--> Tensor update = 0.405324 seconds
*** |--> create = 0.112982 seconds
*** |--> destroy = 0.005222 seconds
*** |--> disk write = 0.140373 seconds
*** |--> disk read = 0.097969 seconds
*** |--> calc = 0.048543 seconds
*** Disk write bandwidth = 5.99261811193437 MB/s
*** Disk read bandwidth = 8.62339867334469 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.35571553983027e-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) = -107.328768898032
NOON of irrep Ag = [ 1.99999672241059 , 1.99571463017228 , 1.98497373601498 ].
NOON of irrep B2g = [ 0.538989905052709 ].
NOON of irrep B3g = [ 0.538989905022725 ].
NOON of irrep B1u = [ 1.99999702947248 , 1.991498905624 , 0.0194690668481126 ].
NOON of irrep B2u = [ 1.46518504970584 ].
NOON of irrep B3u = [ 1.46518504967629 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862740685673 , 0.058708937376622 , 0.055479281102554 , 1.11957630004282 , 1.11957630002454 , 8.52797482256729e-05 , 0.0421718621467145 , 0.105000352922268 , 1.11261995851776 , 1.11261995853539 ].
Idistance(0) = 4.6018810819582
Idistance(1) = 17.7825010794715
Idistance(2) = 85.6947708187203
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.108352 seconds
*** |--> MPS gauge change = 0.032136 seconds
*** |--> Diagram calc = 0.056734 seconds
*** |--> Tensor update = 1.015232 seconds
*** |--> create = 0.264822 seconds
*** |--> destroy = 0.013239 seconds
*** |--> disk write = 0.33249 seconds
*** |--> disk read = 0.234414 seconds
*** |--> calc = 0.169155 seconds
*** Disk write bandwidth = 5.15186631405973 MB/s
*** Disk read bandwidth = 7.30734525566612 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 = 0.0294 seconds
FCI::matvec : Wall time = 0.017125 seconds
FCI::matvec : Wall time = 0.017025 seconds
FCI::matvec : Wall time = 0.017003 seconds
FCI::matvec : Wall time = 0.017072 seconds
FCI::matvec : Wall time = 0.017026 seconds
FCI::matvec : Wall time = 0.017023 seconds
FCI::matvec : Wall time = 0.017021 seconds
FCI::matvec : Wall time = 0.017041 seconds
FCI::matvec : Wall time = 0.017006 seconds
FCI::matvec : Wall time = 0.016976 seconds
FCI::matvec : Wall time = 0.017039 seconds
FCI::matvec : Wall time = 0.017073 seconds
FCI::matvec : Wall time = 0.017044 seconds
FCI::matvec : Wall time = 0.017067 seconds
FCI::matvec : Wall time = 0.017114 seconds
FCI::matvec : Wall time = 0.017125 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 =', 1.4463622776207074e-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) = 14
Energy at sites (8, 9) is -101.287919888131
Stats: nIt(DAVIDSON) = 21
Energy at sites (7, 8) is -106.984862131189
Stats: nIt(DAVIDSON) = 23
Energy at sites (6, 7) is -106.994497256796
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -106.996082831753
Stats: nIt(DAVIDSON) = 18
Energy at sites (4, 5) is -106.996768901077
Stats: nIt(DAVIDSON) = 20
Energy at sites (3, 4) is -106.99909558581
Stats: nIt(DAVIDSON) = 12
Energy at sites (2, 3) is -107.007882208185
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007882208185
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 1.300003 seconds
*** |--> S.join = 0.002668 seconds
*** |--> S.solve = 0.920526 seconds
*** |--> S.split = 0.008953 seconds
*** |--> Tensor update = 0.362761 seconds
*** |--> create = 0.089722 seconds
*** |--> destroy = 0.006341 seconds
*** |--> disk write = 0.137172 seconds
*** |--> disk read = 0.093024 seconds
*** |--> calc = 0.036277 seconds
*** Disk write bandwidth = 1.42368421993123 MB/s
*** Disk read bandwidth = 2.08770035467158 MB/s
*** Minimum energy = -107.007882208185
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007882208185
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007882208185
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007882208185
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.007882703635
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -107.007885713402
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -107.007920311692
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -107.007920312962
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920312962
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.734149 seconds
*** |--> S.join = 0.00352 seconds
*** |--> S.solve = 0.312956 seconds
*** |--> S.split = 0.007189 seconds
*** |--> Tensor update = 0.40486 seconds
*** |--> create = 0.104278 seconds
*** |--> destroy = 0.005219 seconds
*** |--> disk write = 0.15115 seconds
*** |--> disk read = 0.115595 seconds
*** |--> calc = 0.028367 seconds
*** Disk write bandwidth = 1.2848576764338 MB/s
*** Disk read bandwidth = 1.68942957581562 MB/s
*** Minimum energy = -107.007920312962
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.007920312962
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.007920312962
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920312962
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920312962
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920312962
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.007920335016
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.00792037182
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.007920596157
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596157
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.451943 seconds
*** |--> S.join = 0.002094 seconds
*** |--> S.solve = 0.100837 seconds
*** |--> S.split = 0.005876 seconds
*** |--> Tensor update = 0.339732 seconds
*** |--> create = 0.087854 seconds
*** |--> destroy = 0.005164 seconds
*** |--> disk write = 0.131859 seconds
*** |--> disk read = 0.093262 seconds
*** |--> calc = 0.021349 seconds
*** Disk write bandwidth = 1.48104878556948 MB/s
*** Disk read bandwidth = 2.08237264687621 MB/s
*** Minimum energy = -107.007920596157
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920596157
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596157
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920596157
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.007920596294
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.007920596316
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.007920599383
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599383
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599383
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.445703 seconds
*** |--> S.join = 0.003753 seconds
*** |--> S.solve = 0.090542 seconds
*** |--> S.split = 0.005935 seconds
*** |--> Tensor update = 0.34321 seconds
*** |--> create = 0.089587 seconds
*** |--> destroy = 0.005183 seconds
*** |--> disk write = 0.133711 seconds
*** |--> disk read = 0.092755 seconds
*** |--> calc = 0.021742 seconds
*** Disk write bandwidth = 1.45243276763295 MB/s
*** Disk read bandwidth = 2.10543487484671 MB/s
*** Minimum energy = -107.007920599383
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.86420544171051e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.007920599383
*** Minimum energy encountered during the last sweep = -107.007920599383
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.007920599385
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.007920599388
Stats: nIt(DAVIDSON) = 14
Energy at sites (6, 7) is -107.007920599391
Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -107.007920599391
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -107.007920599392
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.007920599392
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 = 0.984506 seconds
*** |--> S.join = 0.002238 seconds
*** |--> S.solve = 0.606116 seconds
*** |--> S.split = 0.009318 seconds
*** |--> Tensor update = 0.361223 seconds
*** |--> create = 0.1044 seconds
*** |--> destroy = 0.005167 seconds
*** |--> disk write = 0.132644 seconds
*** |--> disk read = 0.097487 seconds
*** |--> calc = 0.021295 seconds
*** Disk write bandwidth = 1.47228379584758 MB/s
*** Disk read bandwidth = 1.99212446575409 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 = 0.838464 seconds
*** |--> S.join = 0.004332 seconds
*** |--> S.solve = 0.463652 seconds
*** |--> S.split = 0.009935 seconds
*** |--> Tensor update = 0.355928 seconds
*** |--> create = 0.093433 seconds
*** |--> destroy = 0.005143 seconds
*** |--> disk write = 0.134332 seconds
*** |--> disk read = 0.101074 seconds
*** |--> calc = 0.021713 seconds
*** Disk write bandwidth = 1.44571835298342 MB/s
*** Disk read bandwidth = 1.93214488212999 MB/s
*** Minimum energy = -107.007920599439
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.62749846721999e-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 = [ 1.99999761728556 , 1.99817458746595 , 1.99099529619263 ].
NOON of irrep B2g = [ 0.999157311013737 ].
NOON of irrep B3g = [ 0.999157310932949 ].
NOON of irrep B1u = [ 1.99999763398154 , 1.99356772573677 , 0.015184320154666 ].
NOON of irrep B2u = [ 1.00188409866951 ].
NOON of irrep B3u = [ 1.00188409856668 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624946593942e-05 , 0.0439795142924547 , 0.0191227031218106 , 0.71007326292187 , 0.710073263596299 , 0.000114194275699172 , 0.0501988276355064 , 0.0847680561657687 , 0.709393186768816 , 0.709393186125662 ].
Idistance(0) = 1.96740723885101
Idistance(1) = 7.24682975970642
Idistance(2) = 34.6048709679321
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.900128 seconds
*** |--> MPS gauge change = 0.003384 seconds
*** |--> Diagram calc = 0.036995 seconds
*** |--> Tensor update = 0.850996 seconds
*** |--> create = 0.214057 seconds
*** |--> destroy = 0.014924 seconds
*** |--> disk write = 0.318687 seconds
*** |--> disk read = 0.243887 seconds
*** |--> calc = 0.0584300000000001 seconds
*** Disk write bandwidth = 1.28402657053345 MB/s
*** Disk read bandwidth = 1.67783676737011 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 = 0.045735 seconds
FCI::matvec : Wall time = 0.007144 seconds
FCI::matvec : Wall time = 0.006959 seconds
FCI::matvec : Wall time = 0.008999 seconds
FCI::matvec : Wall time = 0.006849 seconds
FCI::matvec : Wall time = 0.028576 seconds
FCI::matvec : Wall time = 0.017918 seconds
FCI::matvec : Wall time = 0.006755 seconds
FCI::matvec : Wall time = 0.008838 seconds
FCI::matvec : Wall time = 0.006751 seconds
FCI::matvec : Wall time = 0.006767 seconds
FCI::matvec : Wall time = 0.021658 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 =', 6.2487865957471853e-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 -103.078714552643
Stats: nIt(DAVIDSON) = 23
Energy at sites (7, 8) is -105.79203097586
Stats: nIt(DAVIDSON) = 56
Energy at sites (6, 7) is -105.90334464132
Stats: nIt(DAVIDSON) = 27
Energy at sites (5, 6) is -106.113671600763
Stats: nIt(DAVIDSON) = 23
Energy at sites (4, 5) is -106.155343515951
Stats: nIt(DAVIDSON) = 36
Energy at sites (3, 4) is -106.172496899536
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.172496940833
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.172496940833
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 2.011657 seconds
*** |--> S.join = 0.004882 seconds
*** |--> S.solve = 1.655441 seconds
*** |--> S.split = 0.005774 seconds
*** |--> Tensor update = 0.341925 seconds
*** |--> create = 0.088211 seconds
*** |--> destroy = 0.005917 seconds
*** |--> disk write = 0.132517 seconds
*** |--> disk read = 0.093298 seconds
*** |--> calc = 0.021753 seconds
*** Disk write bandwidth = 1.52326509434874 MB/s
*** Disk read bandwidth = 2.15197696075345 MB/s
*** Minimum energy = -106.172496940833
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.172496940833
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.172496940833
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.172496940833
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.172496940833
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -106.172621161427
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.191160518755
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.191160519794
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191160519795
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.624815 seconds
*** |--> S.join = 0.002101 seconds
*** |--> S.solve = 0.268556 seconds
*** |--> S.split = 0.005873 seconds
*** |--> Tensor update = 0.344577 seconds
*** |--> create = 0.0898830000000001 seconds
*** |--> destroy = 0.005523 seconds
*** |--> disk write = 0.133892 seconds
*** |--> disk read = 0.092985 seconds
*** |--> calc = 0.022014 seconds
*** Disk write bandwidth = 1.4995305655631 MB/s
*** Disk read bandwidth = 2.17087186651409 MB/s
*** Minimum energy = -106.191160519795
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 106.191160519795
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191160519794
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191160519795
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191160519794
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.191160519794
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -106.191365885533
Stats: nIt(DAVIDSON) = 10
Energy at sites (3, 4) is -106.191462034047
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -106.191462034196
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191462034196
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.61234 seconds
*** |--> S.join = 0.011781 seconds
*** |--> S.solve = 0.218486 seconds
*** |--> S.split = 0.007194 seconds
*** |--> Tensor update = 0.371275 seconds
*** |--> create = 0.091622 seconds
*** |--> destroy = 0.006442 seconds
*** |--> disk write = 0.137916 seconds
*** |--> disk read = 0.09918 seconds
*** |--> calc = 0.035839 seconds
*** Disk write bandwidth = 1.46363380976691 MB/s
*** Disk read bandwidth = 2.02435114422641 MB/s
*** Minimum energy = -106.191462034196
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191462034196
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191462034196
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191462034196
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191462034196
Stats: nIt(DAVIDSON) = 5
Energy at sites (4, 5) is -106.191462124763
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -106.191466422828
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.191466423282
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466423282
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.576408 seconds
*** |--> S.join = 0.002081 seconds
*** |--> S.solve = 0.210601 seconds
*** |--> S.split = 0.005816 seconds
*** |--> Tensor update = 0.354229 seconds
*** |--> create = 0.089929 seconds
*** |--> destroy = 0.009768 seconds
*** |--> disk write = 0.138191 seconds
*** |--> disk read = 0.094049 seconds
*** |--> calc = 0.022014 seconds
*** Disk write bandwidth = 1.45288149361662 MB/s
*** Disk read bandwidth = 2.14631224689058 MB/s
*** Minimum energy = -106.191466423282
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 0.000305903487060277
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -106.191466423282
*** Minimum energy encountered during the last sweep = -106.191466423282
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
Energy at sites (8, 9) is -106.191466423282
Stats: nIt(DAVIDSON) = 9
Energy at sites (7, 8) is -106.191466423282
Stats: nIt(DAVIDSON) = 9
Energy at sites (6, 7) is -106.191466423283
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -106.191466423284
Stats: nIt(DAVIDSON) = 17
Energy at sites (4, 5) is -106.191466499802
Stats: nIt(DAVIDSON) = 20
Energy at sites (3, 4) is -106.191466567218
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -106.191466567221
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466567221
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.036245 seconds
*** |--> S.join = 0.00572 seconds
*** |--> S.solve = 0.642707 seconds
*** |--> S.split = 0.0128 seconds
*** |--> Tensor update = 0.371401 seconds
*** |--> create = 0.103189 seconds
*** |--> destroy = 0.009629 seconds
*** |--> disk write = 0.138542 seconds
*** |--> disk read = 0.093544 seconds
*** |--> calc = 0.026258 seconds
*** Disk write bandwidth = 1.45702040181182 MB/s
*** Disk read bandwidth = 2.14631773800965 MB/s
*** Minimum energy = -106.191466567221
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466567221
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466567221
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466567221
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -106.191466567221
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -106.191466567246
Stats: nIt(DAVIDSON) = 16
Energy at sites (5, 6) is -106.191466575427
Stats: nIt(DAVIDSON) = 4
Energy at sites (6, 7) is -106.191466575427
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575427
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.835955 seconds
*** |--> S.join = 0.002114 seconds
*** |--> S.solve = 0.451693 seconds
*** |--> S.split = 0.005922 seconds
*** |--> Tensor update = 0.372604 seconds
*** |--> create = 0.092125 seconds
*** |--> destroy = 0.005352 seconds
*** |--> disk write = 0.146269 seconds
*** |--> disk read = 0.093034 seconds
*** |--> calc = 0.035583 seconds
*** Disk write bandwidth = 1.37264318812855 MB/s
*** Disk read bandwidth = 2.16972849181818 MB/s
*** Minimum energy = -106.191466575427
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.52145474885401e-07
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575427
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575427
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575427
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -106.191466575427
Stats: nIt(DAVIDSON) = 14
Energy at sites (4, 5) is -106.191466575701
Stats: nIt(DAVIDSON) = 17
Energy at sites (3, 4) is -106.191466575918
Stats: nIt(DAVIDSON) = 5
Energy at sites (2, 3) is -106.191466575918
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575918
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 0.65342 seconds
*** |--> S.join = 0.002167 seconds
*** |--> S.solve = 0.300321 seconds
*** |--> S.split = 0.005851 seconds
*** |--> Tensor update = 0.341511 seconds
*** |--> create = 0.088709 seconds
*** |--> destroy = 0.005316 seconds
*** |--> disk write = 0.131999 seconds
*** |--> disk read = 0.093535 seconds
*** |--> calc = 0.021715 seconds
*** Disk write bandwidth = 1.52924280114101 MB/s
*** Disk read bandwidth = 2.14652425813198 MB/s
*** Minimum energy = -106.191466575918
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466575918
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575918
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575918
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -106.191466575918
Stats: nIt(DAVIDSON) = 11
Energy at sites (4, 5) is -106.191466575919
Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -106.191466575948
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -106.191466575948
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575948
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 0.725611 seconds
*** |--> S.join = 0.002077 seconds
*** |--> S.solve = 0.34125 seconds
*** |--> S.split = 0.009477 seconds
*** |--> Tensor update = 0.369169 seconds
*** |--> create = 0.089831 seconds
*** |--> destroy = 0.006506 seconds
*** |--> disk write = 0.136314 seconds
*** |--> disk read = 0.092928 seconds
*** |--> calc = 0.04335 seconds
*** Disk write bandwidth = 1.47288720516143 MB/s
*** Disk read bandwidth = 2.17220343177312 MB/s
*** Minimum energy = -106.191466575948
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.21112042406457e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575948
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575948
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575948
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -106.191466575948
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -106.19146657595
Stats: nIt(DAVIDSON) = 13
Energy at sites (3, 4) is -106.19146657595
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657595
******************************************************************
*** Information on left sweep 2 of instruction 1:
*** Elapsed wall time = 0.589541 seconds
*** |--> S.join = 0.002345 seconds
*** |--> S.solve = 0.236692 seconds
*** |--> S.split = 0.005785 seconds
*** |--> Tensor update = 0.341138 seconds
*** |--> create = 0.088519 seconds
*** |--> destroy = 0.005287 seconds
*** |--> disk write = 0.131889 seconds
*** |--> disk read = 0.093479 seconds
*** |--> calc = 0.021728 seconds
*** Disk write bandwidth = 1.53051824267234 MB/s
*** Disk read bandwidth = 2.14781016575247 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.19146657595
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -106.19146657595
Stats: nIt(DAVIDSON) = 10
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 2 of instruction 1:
*** Elapsed wall time = 0.631703 seconds
*** |--> S.join = 0.004637 seconds
*** |--> S.solve = 0.267535 seconds
*** |--> S.split = 0.008787 seconds
*** |--> Tensor update = 0.347191 seconds
*** |--> create = 0.090036 seconds
*** |--> destroy = 0.005306 seconds
*** |--> disk write = 0.134257 seconds
*** |--> disk read = 0.093183 seconds
*** |--> calc = 0.024165 seconds
*** Disk write bandwidth = 1.49545384214138 MB/s
*** Disk read bandwidth = 2.16625908704176 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.96109795069788e-12
******************************************************************
*** 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 = [ 1.99999399659756 , 1.99366325711074 , 1.871900494167 ].
NOON of irrep B2g = [ 0.584814279929351 ].
NOON of irrep B3g = [ 0.584814282182681 ].
NOON of irrep B1u = [ 1.99999783389174 , 1.12096429080668 , 1.00219410815088 ].
NOON of irrep B2u = [ 1.42082873298597 ].
NOON of irrep B3u = [ 1.42082872417738 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17128135892291e-05 , 0.0722109513644765 , 0.460791901256066 , 1.13075778468923 , 1.13075780026859 , 6.17502960238488e-05 , 0.977139013555623 , 0.73593647786593 , 1.1204272311962 , 1.12042723525059 ].
Idistance(0) = 5.65234390795952
Idistance(1) = 19.8382956313737
Idistance(2) = 88.8195403446625
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.938249 seconds
*** |--> MPS gauge change = 0.030381 seconds
*** |--> Diagram calc = 0.043429 seconds
*** |--> Tensor update = 0.855785 seconds
*** |--> create = 0.213099 seconds
*** |--> destroy = 0.01336 seconds
*** |--> disk write = 0.318777 seconds
*** |--> disk read = 0.223939 seconds
*** |--> calc = 0.085614 seconds
*** Disk write bandwidth = 1.3248772435477 MB/s
*** Disk read bandwidth = 1.88596177113592 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 = 0.047841 seconds
FCI::matvec : Wall time = 0.006737 seconds
FCI::matvec : Wall time = 0.008831 seconds
FCI::matvec : Wall time = 0.00674 seconds
FCI::matvec : Wall time = 0.101859 seconds
FCI::matvec : Wall time = 0.022552 seconds
FCI::matvec : Wall time = 0.008832 seconds
FCI::matvec : Wall time = 0.006756 seconds
FCI::matvec : Wall time = 0.008796 seconds
FCI::matvec : Wall time = 0.021953 seconds
FCI::matvec : Wall time = 0.038171 seconds
FCI::matvec : Wall time = 0.051146 seconds
FCI::matvec : Wall time = 0.006767 seconds
FCI::matvec : Wall time = 0.006756 seconds
FCI::matvec : Wall time = 0.006754 seconds
FCI::matvec : Wall time = 0.006731 seconds
FCI::matvec : Wall time = 0.006722 seconds
FCI::matvec : Wall time = 0.006722 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 =', 1.0180504202184095e-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) = 11
Energy at sites (8, 9) is -103.267660775674
Stats: nIt(DAVIDSON) = 32
Energy at sites (7, 8) is -106.571752393274
Stats: nIt(DAVIDSON) = 42
Energy at sites (6, 7) is -106.778479786798
Stats: nIt(DAVIDSON) = 61
Energy at sites (5, 6) is -107.184444536159
Stats: nIt(DAVIDSON) = 32
Energy at sites (4, 5) is -107.345721720235
Stats: nIt(DAVIDSON) = 18
Energy at sites (3, 4) is -107.345839843049
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.345841010253
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.345841010253
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 4.947895 seconds
*** |--> S.join = 0.004343 seconds
*** |--> S.solve = 4.519368 seconds
*** |--> S.split = 0.011762 seconds
*** |--> Tensor update = 0.408701 seconds
*** |--> create = 0.111972 seconds
*** |--> destroy = 0.005448 seconds
*** |--> disk write = 0.139871 seconds
*** |--> disk read = 0.098933 seconds
*** |--> calc = 0.052243 seconds
*** Disk write bandwidth = 5.85386978783129 MB/s
*** Disk read bandwidth = 8.23954250544718 MB/s
*** Minimum energy = -107.345841010253
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.345841010253
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.345841010253
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.345841010253
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.34584101218
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.345841061457
Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -107.346320093197
Stats: nIt(DAVIDSON) = 5
Energy at sites (6, 7) is -107.346324987362
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346324987362
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.212232 seconds
*** |--> S.join = 0.013027 seconds
*** |--> S.solve = 0.713448 seconds
*** |--> S.split = 0.0305440000000001 seconds
*** |--> Tensor update = 0.451525 seconds
*** |--> create = 0.115753 seconds
*** |--> destroy = 0.005662 seconds
*** |--> disk write = 0.143117 seconds
*** |--> disk read = 0.098387 seconds
*** |--> calc = 0.088351 seconds
*** Disk write bandwidth = 5.69577799067481 MB/s
*** Disk read bandwidth = 8.32210171154472 MB/s
*** Minimum energy = -107.346324987362
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.346324987362
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346324987362
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346324987362
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346324987362
Stats: nIt(DAVIDSON) = 5
Energy at sites (5, 6) is -107.346324991289
Stats: nIt(DAVIDSON) = 6
Energy at sites (4, 5) is -107.346325928884
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.346326105149
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.346326105169
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326105169
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.904995 seconds
*** |--> S.join = 0.012578 seconds
*** |--> S.solve = 0.43956 seconds
*** |--> S.split = 0.020973 seconds
*** |--> Tensor update = 0.428597 seconds
*** |--> create = 0.112129 seconds
*** |--> destroy = 0.005948 seconds
*** |--> disk write = 0.146653 seconds
*** |--> disk read = 0.098596 seconds
*** |--> calc = 0.065018 seconds
*** Disk write bandwidth = 5.58315630156731 MB/s
*** Disk read bandwidth = 8.26770516746528 MB/s
*** Minimum energy = -107.346326105169
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326105169
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326105169
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326105169
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346326105169
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.346326105291
Stats: nIt(DAVIDSON) = 4
Energy at sites (5, 6) is -107.346326114755
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.346326114856
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114857
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.708573 seconds
*** |--> S.join = 0.00812 seconds
*** |--> S.solve = 0.258283 seconds
*** |--> S.split = 0.013063 seconds
*** |--> Tensor update = 0.425532 seconds
*** |--> create = 0.117583 seconds
*** |--> destroy = 0.00644 seconds
*** |--> disk write = 0.149679 seconds
*** |--> disk read = 0.098033 seconds
*** |--> calc = 0.053529 seconds
*** Disk write bandwidth = 5.44607231937283 MB/s
*** Disk read bandwidth = 8.35215306166036 MB/s
*** Minimum energy = -107.346326114857
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.1274948690243e-06
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.346326114857
*** Minimum energy encountered during the last sweep = -107.346326114857
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.346326114857
Stats: nIt(DAVIDSON) = 9
Energy at sites (7, 8) is -107.346326114858
Stats: nIt(DAVIDSON) = 12
Energy at sites (6, 7) is -107.346326114859
Stats: nIt(DAVIDSON) = 19
Energy at sites (5, 6) is -107.346326114881
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.346326115015
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.346326115022
Stats: nIt(DAVIDSON) = 7
Energy at sites (2, 3) is -107.346326115022
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115022
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 1.99442 seconds
*** |--> S.join = 0.011254 seconds
*** |--> S.solve = 1.551703 seconds
*** |--> S.split = 0.013613 seconds
*** |--> Tensor update = 0.414141 seconds
*** |--> create = 0.11177 seconds
*** |--> destroy = 0.005434 seconds
*** |--> disk write = 0.141091 seconds
*** |--> disk read = 0.099144 seconds
*** |--> calc = 0.056468 seconds
*** Disk write bandwidth = 5.80325195153305 MB/s
*** Disk read bandwidth = 8.22200696654771 MB/s
*** Minimum energy = -107.346326115022
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115022
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115022
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115022
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.346326115022
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.346326115022
Stats: nIt(DAVIDSON) = 16
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 = 1.459263 seconds
*** |--> S.join = 0.011114 seconds
*** |--> S.solve = 0.989597 seconds
*** |--> S.split = 0.026455 seconds
*** |--> Tensor update = 0.428506 seconds
*** |--> create = 0.115091 seconds
*** |--> destroy = 0.005675 seconds
*** |--> disk write = 0.141219 seconds
*** |--> disk read = 0.09866 seconds
*** |--> calc = 0.067575 seconds
*** Disk write bandwidth = 5.77232991800966 MB/s
*** Disk read bandwidth = 8.29907379985556 MB/s
*** Minimum energy = -107.346326115024
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.67574398801662e-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) = 9
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.346326115024
Stats: nIt(DAVIDSON) = 9
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 = 1.106072 seconds
*** |--> S.join = 0.003445 seconds
*** |--> S.solve = 0.65546 seconds
*** |--> S.split = 0.013582 seconds
*** |--> Tensor update = 0.429989 seconds
*** |--> create = 0.112284 seconds
*** |--> destroy = 0.005456 seconds
*** |--> disk write = 0.13983 seconds
*** |--> disk read = 0.098791 seconds
*** |--> calc = 0.073336 seconds
*** Disk write bandwidth = 5.85558621965065 MB/s
*** Disk read bandwidth = 8.25138584174071 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115024
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) = 2
Energy at sites (3, 4) is -107.346326115025
Stats: nIt(DAVIDSON) = 3
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 = 0.939543 seconds
*** |--> S.join = 0.005329 seconds
*** |--> S.solve = 0.50076 seconds
*** |--> S.split = 0.011773 seconds
*** |--> Tensor update = 0.418002 seconds
*** |--> create = 0.115112 seconds
*** |--> destroy = 0.005609 seconds
*** |--> disk write = 0.1415 seconds
*** |--> disk read = 0.098619 seconds
*** |--> calc = 0.056911 seconds
*** Disk write bandwidth = 5.76086684587566 MB/s
*** Disk read bandwidth = 8.30252406832101 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14
******************************************************************
*** 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) = -107.346326115025
NOON of irrep Ag = [ 1.99999018535371 , 1.9929217527739 , 1.03221285681943 ].
NOON of irrep B2g = [ 1.02415310258036 ].
NOON of irrep B3g = [ 0.0896934287701921 ].
NOON of irrep B1u = [ 1.99999295584654 , 1.95039154288168 , 0.0159495095269984 ].
NOON of irrep B2u = [ 1.91962159297628 ].
NOON of irrep B3u = [ 1.97507307247091 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322991836785 , 0.044714146699339 , 0.838966994320201 , 0.790658960351324 , 0.317368561139118 , 9.24989501166034e-05 , 0.227634117171087 , 0.0907424584692421 , 0.299652804838766 , 0.133979297054885 ].
Idistance(0) = 1.57215407901212
Idistance(1) = 5.15805448321803
Idistance(2) = 21.9866409891878
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.063214 seconds
*** |--> MPS gauge change = 0.008919 seconds
*** |--> Diagram calc = 0.057604 seconds
*** |--> Tensor update = 0.992375 seconds
*** |--> create = 0.269507 seconds
*** |--> destroy = 0.014082 seconds
*** |--> disk write = 0.335294 seconds
*** |--> disk read = 0.234879 seconds
*** |--> calc = 0.137456 seconds
*** Disk write bandwidth = 4.95346109292563 MB/s
*** Disk read bandwidth = 7.07115486566021 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 = 0.027326 seconds
FCI::matvec : Wall time = 0.025478 seconds
FCI::matvec : Wall time = 0.040182 seconds
FCI::matvec : Wall time = 0.019389 seconds
FCI::matvec : Wall time = 0.039056 seconds
FCI::matvec : Wall time = 0.026673 seconds
FCI::matvec : Wall time = 0.01728 seconds
FCI::matvec : Wall time = 0.017327 seconds
FCI::matvec : Wall time = 0.0173 seconds
FCI::matvec : Wall time = 0.017326 seconds
FCI::matvec : Wall time = 0.017321 seconds
FCI::matvec : Wall time = 0.01728 seconds
FCI::matvec : Wall time = 0.01733 seconds
FCI::matvec : Wall time = 0.017399 seconds
FCI::matvec : Wall time = 0.017335 seconds
FCI::matvec : Wall time = 0.017343 seconds
FCI::matvec : Wall time = 0.017351 seconds
FCI::matvec : Wall time = 0.017358 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 =', 4.3843833230693811e-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) = 18
Energy at sites (8, 9) is -103.802757779534
Stats: nIt(DAVIDSON) = 26
Energy at sites (7, 8) is -106.736455107818
Stats: nIt(DAVIDSON) = 40
Energy at sites (6, 7) is -106.950338228819
Stats: nIt(DAVIDSON) = 64
Energy at sites (5, 6) is -107.187476259581
Stats: nIt(DAVIDSON) = 43
Energy at sites (4, 5) is -107.189680358147
Stats: nIt(DAVIDSON) = 41
Energy at sites (3, 4) is -107.19953796051
Stats: nIt(DAVIDSON) = 12
Energy at sites (2, 3) is -107.199562267008
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199562267008
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 5.357689 seconds
*** |--> S.join = 0.00489 seconds
*** |--> S.solve = 4.927353 seconds
*** |--> S.split = 0.012289 seconds
*** |--> Tensor update = 0.409506 seconds
*** |--> create = 0.110922 seconds
*** |--> destroy = 0.00542 seconds
*** |--> disk write = 0.139858 seconds
*** |--> disk read = 0.099389 seconds
*** |--> calc = 0.053676 seconds
*** Disk write bandwidth = 6.01452111458028 MB/s
*** Disk read bandwidth = 8.42703852177429 MB/s
*** Minimum energy = -107.199562267008
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199562267008
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199562267008
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199562267008
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.199562274622
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.199576839596
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -107.199617354715
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.199617355018
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617355018
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 1.289398 seconds
*** |--> S.join = 0.003221 seconds
*** |--> S.solve = 0.831592 seconds
*** |--> S.split = 0.016517 seconds
*** |--> Tensor update = 0.435967 seconds
*** |--> create = 0.134603 seconds
*** |--> destroy = 0.007973 seconds
*** |--> disk write = 0.143804 seconds
*** |--> disk read = 0.098531 seconds
*** |--> calc = 0.0508 seconds
*** Disk write bandwidth = 5.82428118578499 MB/s
*** Disk read bandwidth = 8.53720041451897 MB/s
*** Minimum energy = -107.199617355018
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.199617355018
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.199617355018
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617355018
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617355018
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.199617355017
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.199617373674
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.199617421428
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.199617421633
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421633
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.752629 seconds
*** |--> S.join = 0.007023 seconds
*** |--> S.solve = 0.272916 seconds
*** |--> S.split = 0.019271 seconds
*** |--> Tensor update = 0.449811 seconds
*** |--> create = 0.12163 seconds
*** |--> destroy = 0.005752 seconds
*** |--> disk write = 0.165232 seconds
*** |--> disk read = 0.099098 seconds
*** |--> calc = 0.057847 seconds
*** Disk write bandwidth = 5.09089579526344 MB/s
*** Disk read bandwidth = 8.45178441180069 MB/s
*** Minimum energy = -107.199617421633
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421633
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421633
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421633
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617421632
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.199617421696
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -107.199617421895
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617421895
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421895
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.59184 seconds
*** |--> S.join = 0.004943 seconds
*** |--> S.solve = 0.162962 seconds
*** |--> S.split = 0.012352 seconds
*** |--> Tensor update = 0.408735 seconds
*** |--> create = 0.114156 seconds
*** |--> destroy = 0.00565 seconds
*** |--> disk write = 0.141248 seconds
*** |--> disk read = 0.098324 seconds
*** |--> calc = 0.049103 seconds
*** Disk write bandwidth = 5.92967639641358 MB/s
*** Disk read bandwidth = 8.55517365081739 MB/s
*** Minimum energy = -107.199617421895
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 6.68773054712801e-08
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** Minimum energy encountered during all instructions = -107.199617421895
*** Minimum energy encountered during the last sweep = -107.199617421895
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 9
Energy at sites (8, 9) is -107.199617421903
Stats: nIt(DAVIDSON) = 11
Energy at sites (7, 8) is -107.19961742191
Stats: nIt(DAVIDSON) = 17
Energy at sites (6, 7) is -107.199617421917
Stats: nIt(DAVIDSON) = 22
Energy at sites (5, 6) is -107.199617421917
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.199617421918
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.199617421919
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 = 2.170676 seconds
*** |--> S.join = 0.00312 seconds
*** |--> S.solve = 1.706321 seconds
*** |--> S.split = 0.016065 seconds
*** |--> Tensor update = 0.441517 seconds
*** |--> create = 0.113022 seconds
*** |--> destroy = 0.005546 seconds
*** |--> disk write = 0.140591 seconds
*** |--> disk read = 0.121631 seconds
*** |--> calc = 0.060485 seconds
*** Disk write bandwidth = 5.98316317575783 MB/s
*** Disk read bandwidth = 6.88603178170552 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) = 8
Energy at sites (4, 5) is -107.199617421919
Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -107.199617421919
Stats: nIt(DAVIDSON) = 5
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 = 1.187038 seconds
*** |--> S.join = 0.003175 seconds
*** |--> S.solve = 0.747804 seconds
*** |--> S.split = 0.012995 seconds
*** |--> Tensor update = 0.419476 seconds
*** |--> create = 0.114479 seconds
*** |--> destroy = 0.005611 seconds
*** |--> disk write = 0.142108 seconds
*** |--> disk read = 0.098276 seconds
*** |--> calc = 0.058753 seconds
*** Disk write bandwidth = 5.89379156444834 MB/s
*** Disk read bandwidth = 8.55935217187277 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.37605490838178e-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 = [ 1.99998814651062 , 1.98924041565376 , 1.87687857979822 ].
NOON of irrep B2g = [ 0.139387811449827 ].
NOON of irrep B3g = [ 1.03112739711765 ].
NOON of irrep B1u = [ 1.9999943124415 , 1.10839164079031 , 0.0211636956855854 ].
NOON of irrep B2u = [ 1.96715797349183 ].
NOON of irrep B3u = [ 1.86667002706072 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980009250768 , 0.081841021594547 , 0.44962319854884 , 0.486645055994502 , 0.811029482147725 , 6.68868115850332e-05 , 0.962046613804352 , 0.112095070358624 , 0.167176150714859 , 0.475082461606585 ].
Idistance(0) = 2.38445939324028
Idistance(1) = 9.57998274516928
Idistance(2) = 47.8783647124568
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 1.058116 seconds
*** |--> MPS gauge change = 0.006606 seconds
*** |--> Diagram calc = 0.058521 seconds
*** |--> Tensor update = 0.984347 seconds
*** |--> create = 0.267567 seconds
*** |--> destroy = 0.014282 seconds
*** |--> disk write = 0.33633 seconds
*** |--> disk read = 0.234609 seconds
*** |--> calc = 0.13044 seconds
*** Disk write bandwidth = 5.07135946715976 MB/s
*** Disk read bandwidth = 7.27018285568688 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 = 0.017426 seconds
FCI::matvec : Wall time = 0.017316 seconds
FCI::matvec : Wall time = 0.017282 seconds
FCI::matvec : Wall time = 0.017306 seconds
FCI::matvec : Wall time = 0.017296 seconds
FCI::matvec : Wall time = 0.017247 seconds
FCI::matvec : Wall time = 0.017306 seconds
FCI::matvec : Wall time = 0.017261 seconds
FCI::matvec : Wall time = 0.017303 seconds
FCI::matvec : Wall time = 0.017327 seconds
FCI::matvec : Wall time = 0.017409 seconds
FCI::matvec : Wall time = 0.017419 seconds
FCI::matvec : Wall time = 0.017357 seconds
FCI::matvec : Wall time = 0.017345 seconds
FCI::matvec : Wall time = 0.017362 seconds
FCI::matvec : Wall time = 0.017347 seconds
FCI::matvec : Wall time = 0.017374 seconds
FCI::matvec : Wall time = 0.017378 seconds
FCI::matvec : Wall time = 0.01742 seconds
FCI::matvec : Wall time = 0.017376 seconds
FCI::matvec : Wall time = 0.017401 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 =', 4.3783941471468501e-09)
Info on DMRG::operators rm call to system: 0
================> Did test 1 succeed : yes
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
fakeroot debian/rules binary-arch
dh binary-arch --with python2
dh_testroot -a
dh_prep -a
debian/rules override_dh_auto_install
make[1]: Entering directory '/<<PKGBUILDDIR>>'
dh_auto_install
make -j1 install DESTDIR=/<<PKGBUILDDIR>>/debian/tmp AM_UPDATE_INFO_DIR=no
make[2]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 65%] Built target chemps2-base
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[ 66%] Built target chemps2-shared
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[ 68%] Built target chemps2-bin
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[ 69%] Built target chemps2-static
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[ 71%] Built target test14
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[ 73%] Built target test13
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 76%] Built target test12
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[ 78%] Built target test11
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 80%] Built target test3
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[ 82%] Built target test4
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 84%] Built target test2
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 86%] Built target test6
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 89%] Built target test1
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 91%] Built target test5
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 93%] Built target test7
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 95%] Built target test8
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
[ 97%] Built target test9
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
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[100%] Built target test10
make[3]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
Install the project...
-- Install configuration: "release"
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Config.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2ConfigVersion.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so.2
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so
-- Set runtime path of "/<<PKGBUILDDIR>>/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.so.2" to ""
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2
-- Set runtime path of "/<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2" to ""
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/lib/arm-linux-gnueabihf/libchemps2.a
-- Up-to-date: /<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/CASPT2.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/CASSCF.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/ConjugateGradient.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/ConvergenceScheme.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Correlations.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Cumulant.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DIIS.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRG.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFindices.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Davidson.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Excitation.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/FCI.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/FourIndex.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Hamiltonian.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Heff.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Initialize.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Irreps.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Lapack.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/MPIchemps2.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Molden.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/MyHDF5.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Options.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Problem.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Sobject.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Special.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/SyBookkeeper.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Tensor.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Tensor3RDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorF0.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorF1.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorGYZ.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorKM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorL.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorO.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorOperator.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorQ.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorS0.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorS1.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorT.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorX.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/ThreeDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TwoDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TwoIndex.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Wigner.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static-release.cmake
make[2]: Leaving directory '/<<PKGBUILDDIR>>/obj-arm-linux-gnueabihf'
# 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-armv7l-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 '/<<PKGBUILDDIR>>'
dh_install -a
dh_installdocs -a
debian/rules override_dh_installchangelogs
make[1]: Entering directory '/<<PKGBUILDDIR>>'
dh_installchangelogs -k CHANGELOG.md
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
dh_installman -a
dh_python2 -a
I: dh_python2 fs:322: renaming PyCheMPS2.so to PyCheMPS2.arm-linux-gnueabihf.so
dh_perl -a
dh_link -a
dh_strip_nondeterminism -a
dh_compress -a
dh_fixperms -a
dh_strip -a
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/CASPT2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/CASSCF.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/CASSCFdebug.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/CASSCFpt2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/ConjugateGradient.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/ConvergenceScheme.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Correlations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Cumulant.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Davidson.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DIIS.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRG.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGfock.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGmpsio.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGoperators.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGoperators3RDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGSCFindices.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGSCFoptions.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGSCFrotations.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGSCFunitary.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/DMRGtechnics.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Excitation.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/FCI.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/FourIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Hamiltonian.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Heff.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/HeffDiagonal.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/HeffDiagrams1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/HeffDiagrams2.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/HeffDiagrams3.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/HeffDiagrams4.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/HeffDiagrams5.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Initialize.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Irreps.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Molden.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/PrintLicense.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Problem.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Sobject.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/SyBookkeeper.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Tensor3RDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorF0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorF1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorGYZ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorKM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorL.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorO.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorOperator.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorQ.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorS0.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorS1.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorT.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TensorX.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/ThreeDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TwoDM.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/TwoIndex.cpp.o: plugin needed to handle lto object
strip: debian/libchemps2-dev/usr/lib/arm-linux-gnueabihf/stQvSCYU/Wigner.cpp.o: plugin needed to handle lto object
dh_makeshlibs -a
dpkg-gensymbols: warning: some new symbols appeared in the symbols file: see diff output below
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_armhf)
+++ dpkg-gensymbolscHa1G4 2016-12-06 13:04:38.494913887 +0000
@@ -142,10 +142,12 @@
_ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.7
_ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.7
_ZN7CheMPS216DMRGSCFintegralsD2Ev@Base 1.7
- (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.7
- (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileElll@Base 1.8
- (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.7
- (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEllPdiii@Base 1.8
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileEiii@Base 1.7
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations10close_fileElll@Base 1.8
+ _ZN7CheMPS216DMRGSCFrotations10close_fileExxx@Base 1.8.3-1
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEiiPdiii@Base 1.7
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations10write_fileEllPdiii@Base 1.8
+ _ZN7CheMPS216DMRGSCFrotations10write_fileExxPdiii@Base 1.8.3-1
_ZN7CheMPS216DMRGSCFrotations13package_firstEPdS1_iii@Base 1.7
_ZN7CheMPS216DMRGSCFrotations15blockwise_firstEPdS1_iiiS1_ii@Base 1.7
_ZN7CheMPS216DMRGSCFrotations15blockwise_thirdEPdS1_iiiS1_ii@Base 1.7
@@ -157,10 +159,12 @@
_ZN7CheMPS216DMRGSCFrotations5writeEPdPNS_9FourIndexEPNS_16DMRGSCFintegralsEcccciiiiPNS_14DMRGSCFindicesEiib@Base 1.7
_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
- (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.7
- (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEllPdiii@Base 1.8
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPiS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations9open_fileEPlS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
+ _ZN7CheMPS216DMRGSCFrotations9open_fileEPxS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.3-1
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEiiPdiii@Base 1.7
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS216DMRGSCFrotations9read_fileEllPdiii@Base 1.8
+ _ZN7CheMPS216DMRGSCFrotations9read_fileExxPdiii@Base 1.8.3-1
_ZN7CheMPS217ConjugateGradient12apply_preconEPd@Base 1.7
_ZN7CheMPS217ConjugateGradient12apply_preconEPdS1_@Base 1.7
_ZN7CheMPS217ConjugateGradient4stepEPPd@Base 1.7
@@ -239,10 +243,12 @@
_ZN7CheMPS24DMRG16symm_4rdm_helperEPdiiddbd@Base 1.7
_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
- (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)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
+ _ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.3-1
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.7
+#MISSING: 1.8.3-1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEliPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8
+ _ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHExiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.8.3-1
_ZN7CheMPS24DMRG19activateExcitationsEi@Base 1.7
_ZN7CheMPS24DMRG19prepare_excitationsEPNS_7SobjectE@Base 1.7
_ZN7CheMPS24DMRG20updateMovingLeftSafeEi@Base 1.7
dh_shlibdeps -a
dpkg-shlibdeps: warning: symbol __aeabi_atexit@CXXABI_ARM_1.3.3 used by debian/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 found in none of the libraries
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 was not linked against libsz.so.2 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 was not linked against libdl.so.2 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemps2-2/usr/lib/arm-linux-gnueabihf/libchemps2.so.2 was not linked against libz.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: debian/chemps2/usr/bin/chemps2 contains an unresolvable reference to symbol __aeabi_atexit@CXXABI_ARM_1.3.3: it's probably a plugin
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libpthread.so.0 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libgomp.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against ld-linux-armhf.so.3 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libblas.so.3 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libz.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libhdf5_serial.so.100 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against liblapack.so.3 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libdl.so.2 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/chemps2/usr/bin/chemps2 was not linked against libsz.so.2 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-chemps2/usr/lib/python2.7/dist-packages/PyCheMPS2.arm-linux-gnueabihf.so was not linked against libpthread.so.0 (it uses none of the library's symbols)
dh_installdeb -a
dh_gencontrol -a
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: 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: 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 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}
dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Versions}
dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Provides}
dh_md5sums -a
dh_builddeb -a
dpkg-deb: building package 'python-chemps2-dbgsym' in '../python-chemps2-dbgsym_1.8.3-1_armhf.deb'.
dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.3-1_armhf.deb'.
dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.3-1_armhf.deb'.
dpkg-deb: building package 'libchemps2-2-dbgsym' in '../libchemps2-2-dbgsym_1.8.3-1_armhf.deb'.
dpkg-deb: building package 'chemps2' in '../chemps2_1.8.3-1_armhf.deb'.
dpkg-deb: building package 'python-chemps2' in '../python-chemps2_1.8.3-1_armhf.deb'.
dpkg-deb: building package 'libchemps2-2' in '../libchemps2-2_1.8.3-1_armhf.deb'.
dpkg-genbuildinfo --build=any
dpkg-genbuildinfo: warning: File::FcntlLock not available; using flock which is not NFS-safe
dpkg-genchanges --build=any -mRaspbian wandboard test autobuilder <root@raspbian.org> >../chemps2_1.8.3-1_armhf.changes
dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included)
dpkg-source --after-build chemps2-1.8.3
dpkg-buildpackage: info: binary-only upload (no source included)
--------------------------------------------------------------------------------
Build finished at 2016-12-06T13:06:02Z
Finished
--------
I: Built successfully
+------------------------------------------------------------------------------+
| Post Build Chroot |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Changes |
+------------------------------------------------------------------------------+
chemps2_1.8.3-1_armhf.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: armhf
Version: 1.8.3-1
Distribution: stretch-staging
Urgency: medium
Maintainer: Raspbian wandboard test autobuilder <root@raspbian.org>
Changed-By: Sebastian Wouters <sebastianwouters@gmail.com>
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:
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chemps2-dbgsym_1.8.3-1_armhf.deb
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chemps2_1.8.3-1_armhf.deb
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Section: science
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Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description: Executable to call libchemps2-2 from the command line
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.
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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.
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libchemps2-2-dbgsym_1.8.3-1_armhf.deb
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libchemps2-2_1.8.3-1_armhf.deb
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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.
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libchemps2-dev_1.8.3-1_armhf.deb
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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
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python-chemps2-dbgsym_1.8.3-1_armhf.deb
---------------------------------------
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-rw-r--r-- root/root 314196 2016-11-15 19:07 ./usr/lib/debug/.build-id/68/d28938974899528271e922d60efa8bc8ed05ab.debug
drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/share/
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python-chemps2_1.8.3-1_armhf.deb
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Package: python-chemps2
Source: chemps2
Version: 1.8.3-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 251
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 (>= 2.4), libchemps2-2 (= 1.8.3-1), libgcc1 (>= 1:3.5), 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.
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drwxr-xr-x root/root 0 2016-11-15 19:07 ./usr/lib/python2.7/
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-rw-r--r-- root/root 239168 2016-11-15 19:07 ./usr/lib/python2.7/dist-packages/PyCheMPS2.arm-linux-gnueabihf.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/
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-rw-r--r-- root/root 1312 2016-11-15 18:51 ./usr/share/doc/python-chemps2/changelog.gz
-rw-r--r-- root/root 1274 2016-11-15 19:07 ./usr/share/doc/python-chemps2/copyright
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Build Architecture: armhf
Build-Space: 67480
Build-Time: 1162
Distribution: stretch-staging
Host Architecture: armhf
Install-Time: 795
Job: chemps2_1.8.3-1
Machine Architecture: armhf
Package: chemps2
Package-Time: 2006
Source-Version: 1.8.3-1
Space: 67480
Status: successful
Version: 1.8.3-1
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Finished at 2016-12-06T13:06:02Z
Build needed 00:33:26, 67480k disc space