0s autopkgtest [23:06:50]: starting date and time: 2024-03-16 23:06:50+0000
  0s autopkgtest [23:06:50]: git checkout: b506e79c ssh-setup/nova: fix ARCH having two lines of data
  0s autopkgtest [23:06:50]: host juju-7f2275-prod-proposed-migration-environment-3; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.9i33kkku/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --setup-commands /home/ubuntu/autopkgtest/setup-commands/setup-testbed --apt-pocket=proposed=src:netcdf,src:curl,src:gnutls28,src:hdf5,src:libpsl,src:nettle,src:openssl,src:orthanc-python --apt-upgrade cpptraj --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 '--env=ADT_TEST_TRIGGERS=netcdf/1:4.9.2-5ubuntu3 curl/8.5.0-2ubuntu7 gnutls28/3.8.3-1.1ubuntu2 hdf5/1.10.10+repack-3.1ubuntu3 libpsl/0.21.2-1.1 nettle/3.9.1-2.2 openssl/3.0.13-0ubuntu1 orthanc-python/4.1+ds-2build3' -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-3@bos02-s390x-22.secgroup --name adt-noble-s390x-cpptraj-20240316-230650-juju-7f2275-prod-proposed-migration-environment-3 --image adt/ubuntu-noble-s390x-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-3 --net-id=net_prod-proposed-migration -e TERM=linux -e ''"'"'http_proxy=http://squid.internal:3128'"'"'' -e ''"'"'https_proxy=http://squid.internal:3128'"'"'' -e ''"'"'no_proxy=127.0.0.1,127.0.1.1,login.ubuntu.com,localhost,localdomain,novalocal,internal,archive.ubuntu.com,ports.ubuntu.com,security.ubuntu.com,ddebs.ubuntu.com,changelogs.ubuntu.com,launchpadlibrarian.net,launchpadcontent.net,launchpad.net,10.24.0.0/24,keystone.ps5.canonical.com,objectstorage.prodstack5.canonical.com'"'"'' --mirror=http://ftpmaster.internal/ubuntu/
184s autopkgtest [23:09:54]: testbed dpkg architecture: s390x
184s autopkgtest [23:09:54]: testbed apt version: 2.7.12
184s autopkgtest [23:09:54]: @@@@@@@@@@@@@@@@@@@@ test bed setup
185s Get:1 http://ftpmaster.internal/ubuntu noble-proposed InRelease [117 kB]
185s Get:2 http://ftpmaster.internal/ubuntu noble-proposed/multiverse Sources [51.4 kB]
186s Get:3 http://ftpmaster.internal/ubuntu noble-proposed/main Sources [474 kB]
186s Get:4 http://ftpmaster.internal/ubuntu noble-proposed/universe Sources [3705 kB]
186s Get:5 http://ftpmaster.internal/ubuntu noble-proposed/restricted Sources [6540 B]
186s Get:6 http://ftpmaster.internal/ubuntu noble-proposed/main s390x Packages [631 kB]
186s Get:7 http://ftpmaster.internal/ubuntu noble-proposed/main s390x c-n-f Metadata [3032 B]
186s Get:8 http://ftpmaster.internal/ubuntu noble-proposed/restricted s390x Packages [1372 B]
186s Get:9 http://ftpmaster.internal/ubuntu noble-proposed/restricted s390x c-n-f Metadata [116 B]
186s Get:10 http://ftpmaster.internal/ubuntu noble-proposed/universe s390x Packages [3771 kB]
186s Get:11 http://ftpmaster.internal/ubuntu noble-proposed/universe s390x c-n-f Metadata [7292 B]
186s Get:12 http://ftpmaster.internal/ubuntu noble-proposed/multiverse s390x Packages [33.4 kB]
186s Get:13 http://ftpmaster.internal/ubuntu noble-proposed/multiverse s390x c-n-f Metadata [116 B]
188s Fetched 8802 kB in 3s (3250 kB/s)
189s Reading package lists...
192s Reading package lists...
192s Building dependency tree...
192s Reading state information...
192s Calculating upgrade...
192s The following packages will be REMOVED:
192s   libssl3
192s The following NEW packages will be installed:
192s   libssl3t64
192s The following packages have been kept back:
192s   curl
192s The following packages will be upgraded:
192s   openssl ubuntu-minimal ubuntu-standard
193s 3 upgraded, 1 newly installed, 1 to remove and 1 not upgraded.
193s Need to get 2680 kB of archives.
193s After this operation, 23.6 kB of additional disk space will be used.
193s Get:1 http://ftpmaster.internal/ubuntu noble-proposed/main s390x openssl s390x 3.0.13-0ubuntu1 [1006 kB]
194s Get:2 http://ftpmaster.internal/ubuntu noble-proposed/main s390x libssl3t64 s390x 3.0.13-0ubuntu1 [1652 kB]
195s Get:3 http://ftpmaster.internal/ubuntu noble/main s390x ubuntu-minimal s390x 1.536 [10.7 kB]
195s Get:4 http://ftpmaster.internal/ubuntu noble/main s390x ubuntu-standard s390x 1.536 [10.7 kB]
195s Fetched 2680 kB in 2s (1207 kB/s)
195s (Reading database ... 
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(Reading database ... 52171 files and directories currently installed.)
195s Preparing to unpack .../openssl_3.0.13-0ubuntu1_s390x.deb ...
195s Unpacking openssl (3.0.13-0ubuntu1) over (3.0.10-1ubuntu4) ...
195s dpkg: libssl3:s390x: dependency problems, but removing anyway as you requested:
195s  wget depends on libssl3 (>= 3.0.0).
195s  tnftp depends on libssl3 (>= 3.0.0).
195s  tcpdump depends on libssl3 (>= 3.0.0).
195s  systemd-resolved depends on libssl3 (>= 3.0.0).
195s  systemd depends on libssl3 (>= 3.0.0).
195s  sudo depends on libssl3 (>= 3.0.0).
195s  s390-tools depends on libssl3 (>= 3.0.0).
195s  rsync depends on libssl3 (>= 3.0.0).
195s  python3-cryptography depends on libssl3 (>= 3.0.0).
195s  openssh-server depends on libssl3 (>= 3.0.10).
195s  openssh-client depends on libssl3 (>= 3.0.10).
195s  linux-headers-6.8.0-11-generic depends on libssl3 (>= 3.0.0).
195s  libsystemd-shared:s390x depends on libssl3 (>= 3.0.0).
195s  libssh-4:s390x depends on libssl3 (>= 3.0.0).
195s  libsasl2-modules:s390x depends on libssl3 (>= 3.0.0).
195s  libsasl2-2:s390x depends on libssl3 (>= 3.0.0).
195s  libpython3.12-minimal:s390x depends on libssl3 (>= 3.0.0).
195s  libpython3.11-minimal:s390x depends on libssl3 (>= 3.0.0).
195s  libnvme1 depends on libssl3 (>= 3.0.0).
195s  libkrb5-3:s390x depends on libssl3 (>= 3.0.0).
195s  libkmod2:s390x depends on libssl3 (>= 3.0.0).
195s  libfido2-1:s390x depends on libssl3 (>= 3.0.0).
195s  libcurl4:s390x depends on libssl3 (>= 3.0.0).
195s  libcryptsetup12:s390x depends on libssl3 (>= 3.0.0).
195s  kmod depends on libssl3 (>= 3.0.0).
195s  dhcpcd-base depends on libssl3 (>= 3.0.0).
195s  bind9-libs:s390x depends on libssl3 (>= 3.0.0).
195s 
195s (Reading database ... 
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(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 52171 files and directories currently installed.)
195s Removing libssl3:s390x (3.0.10-1ubuntu4) ...
195s Selecting previously unselected package libssl3t64:s390x.
195s (Reading database ... 
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(Reading database ... 100%
(Reading database ... 52160 files and directories currently installed.)
195s Preparing to unpack .../libssl3t64_3.0.13-0ubuntu1_s390x.deb ...
195s Unpacking libssl3t64:s390x (3.0.13-0ubuntu1) ...
195s Preparing to unpack .../ubuntu-minimal_1.536_s390x.deb ...
195s Unpacking ubuntu-minimal (1.536) over (1.535) ...
195s Preparing to unpack .../ubuntu-standard_1.536_s390x.deb ...
195s Unpacking ubuntu-standard (1.536) over (1.535) ...
195s Setting up ubuntu-minimal (1.536) ...
195s Setting up libssl3t64:s390x (3.0.13-0ubuntu1) ...
195s Setting up ubuntu-standard (1.536) ...
195s Setting up openssl (3.0.13-0ubuntu1) ...
195s Processing triggers for man-db (2.12.0-3) ...
196s Processing triggers for libc-bin (2.39-0ubuntu2) ...
196s Reading package lists...
196s Building dependency tree...
196s Reading state information...
197s 0 upgraded, 0 newly installed, 0 to remove and 1 not upgraded.
197s Unknown architecture, assuming PC-style ttyS0
197s sh: Attempting to set up Debian/Ubuntu apt sources automatically
197s sh: Distribution appears to be Ubuntu
198s Reading package lists...
198s Building dependency tree...
198s Reading state information...
198s eatmydata is already the newest version (131-1).
198s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
198s Reading package lists...
198s Building dependency tree...
198s Reading state information...
199s dbus is already the newest version (1.14.10-4ubuntu1).
199s dbus set to manually installed.
199s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
199s Reading package lists...
199s Building dependency tree...
199s Reading state information...
199s rng-tools-debian is already the newest version (2.4).
199s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
199s Reading package lists...
199s Building dependency tree...
199s Reading state information...
199s The following packages will be REMOVED:
199s   cloud-init* python3-configobj* python3-debconf*
200s 0 upgraded, 0 newly installed, 3 to remove and 0 not upgraded.
200s After this operation, 3252 kB disk space will be freed.
200s (Reading database ... 
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(Reading database ... 52173 files and directories currently installed.)
200s Removing cloud-init (24.1.1-0ubuntu1) ...
200s Removing python3-configobj (5.0.8-3) ...
200s Removing python3-debconf (1.5.86) ...
200s Processing triggers for man-db (2.12.0-3) ...
201s (Reading database ... 
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(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 51784 files and directories currently installed.)
201s Purging configuration files for cloud-init (24.1.1-0ubuntu1) ...
201s dpkg: warning: while removing cloud-init, directory '/etc/cloud/cloud.cfg.d' not empty so not removed
201s Processing triggers for rsyslog (8.2312.0-3ubuntu3) ...
201s invoke-rc.d: policy-rc.d denied execution of try-restart.
201s Reading package lists...
201s Building dependency tree...
201s Reading state information...
202s linux-generic is already the newest version (6.8.0-11.11+1).
202s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
202s Hit:1 http://ftpmaster.internal/ubuntu noble InRelease
202s Hit:2 http://ftpmaster.internal/ubuntu noble-updates InRelease
203s Hit:3 http://ftpmaster.internal/ubuntu noble-security InRelease
204s Reading package lists...
204s Reading package lists...
204s Building dependency tree...
204s Reading state information...
205s Calculating upgrade...
205s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
205s Reading package lists...
205s Building dependency tree...
205s Reading state information...
205s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
205s autopkgtest [23:10:15]: rebooting testbed after setup commands that affected boot
222s autopkgtest [23:10:32]: testbed running kernel: Linux 6.8.0-11-generic #11-Ubuntu SMP Tue Feb 13 23:45:46 UTC 2024
224s autopkgtest [23:10:34]: @@@@@@@@@@@@@@@@@@@@ apt-source cpptraj
229s Get:1 http://ftpmaster.internal/ubuntu noble/universe cpptraj 5.1.0+dfsg-3build1 (dsc) [2160 B]
229s Get:2 http://ftpmaster.internal/ubuntu noble/universe cpptraj 5.1.0+dfsg-3build1 (tar) [28.4 MB]
229s Get:3 http://ftpmaster.internal/ubuntu noble/universe cpptraj 5.1.0+dfsg-3build1 (diff) [6064 B]
229s gpgv: Signature made Tue Jun 27 18:04:29 2023 UTC
229s gpgv:                using RSA key 4D0BE12F0E4776D8AACE9696E66C775AEBFE6C7D
229s gpgv: Can't check signature: No public key
229s dpkg-source: warning: cannot verify inline signature for ./cpptraj_5.1.0+dfsg-3build1.dsc: no acceptable signature found
233s autopkgtest [23:10:43]: testing package cpptraj version 5.1.0+dfsg-3build1
233s autopkgtest [23:10:43]: build not needed
244s autopkgtest [23:10:54]: test command1: preparing testbed
245s Reading package lists...
246s Building dependency tree...
246s Reading state information...
246s Starting pkgProblemResolver with broken count: 0
246s Starting 2 pkgProblemResolver with broken count: 0
246s Done
246s The following additional packages will be installed:
246s   cpptraj libaec0 libarpack2 libblas3 libfftw3-double3 libgfortran5 libgomp1
246s   libhdf5-103-1 libhdf5-hl-100 liblapack3 libnetcdf19 libsz2 netcdf-bin
246s Suggested packages:
246s   libfftw3-bin libfftw3-dev
246s The following NEW packages will be installed:
246s   autopkgtest-satdep cpptraj libaec0 libarpack2 libblas3 libfftw3-double3
246s   libgfortran5 libgomp1 libhdf5-103-1 libhdf5-hl-100 liblapack3 libnetcdf19
246s   libsz2 netcdf-bin
246s 0 upgraded, 14 newly installed, 0 to remove and 0 not upgraded.
246s Need to get 8382 kB/8383 kB of archives.
246s After this operation, 24.2 MB of additional disk space will be used.
246s Get:1 /tmp/autopkgtest.jAowUr/1-autopkgtest-satdep.deb autopkgtest-satdep s390x 0 [720 B]
246s Get:2 http://ftpmaster.internal/ubuntu noble/main s390x libblas3 s390x 3.12.0-3 [245 kB]
247s Get:3 http://ftpmaster.internal/ubuntu noble/main s390x libgfortran5 s390x 14-20240303-1ubuntu1 [598 kB]
247s Get:4 http://ftpmaster.internal/ubuntu noble/main s390x liblapack3 s390x 3.12.0-3 [2979 kB]
247s Get:5 http://ftpmaster.internal/ubuntu noble/universe s390x libarpack2 s390x 3.9.1-1 [111 kB]
247s Get:6 http://ftpmaster.internal/ubuntu noble/main s390x libgomp1 s390x 14-20240303-1ubuntu1 [151 kB]
247s Get:7 http://ftpmaster.internal/ubuntu noble/main s390x libfftw3-double3 s390x 3.3.10-1ubuntu1 [465 kB]
247s Get:8 http://ftpmaster.internal/ubuntu noble/universe s390x libaec0 s390x 1.1.2-1 [25.7 kB]
247s Get:9 http://ftpmaster.internal/ubuntu noble/universe s390x libsz2 s390x 1.1.2-1 [5346 B]
247s Get:10 http://ftpmaster.internal/ubuntu noble/universe s390x libhdf5-103-1 s390x 1.10.10+repack-3ubuntu1 [1425 kB]
247s Get:11 http://ftpmaster.internal/ubuntu noble/universe s390x libhdf5-hl-100 s390x 1.10.10+repack-3ubuntu1 [57.5 kB]
247s Get:12 http://ftpmaster.internal/ubuntu noble/universe s390x libnetcdf19 s390x 1:4.9.2-3ubuntu1 [506 kB]
247s Get:13 http://ftpmaster.internal/ubuntu noble/universe s390x cpptraj s390x 5.1.0+dfsg-3build1 [1595 kB]
247s Get:14 http://ftpmaster.internal/ubuntu noble/universe s390x netcdf-bin s390x 1:4.9.2-3ubuntu1 [220 kB]
248s Fetched 8382 kB in 1s (7609 kB/s)
248s Selecting previously unselected package libblas3:s390x.
248s (Reading database ... 
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(Reading database ... 75%
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(Reading database ... 85%
(Reading database ... 90%
(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 51729 files and directories currently installed.)
248s Preparing to unpack .../00-libblas3_3.12.0-3_s390x.deb ...
248s Unpacking libblas3:s390x (3.12.0-3) ...
248s Selecting previously unselected package libgfortran5:s390x.
248s Preparing to unpack .../01-libgfortran5_14-20240303-1ubuntu1_s390x.deb ...
248s Unpacking libgfortran5:s390x (14-20240303-1ubuntu1) ...
248s Selecting previously unselected package liblapack3:s390x.
248s Preparing to unpack .../02-liblapack3_3.12.0-3_s390x.deb ...
248s Unpacking liblapack3:s390x (3.12.0-3) ...
248s Selecting previously unselected package libarpack2:s390x.
248s Preparing to unpack .../03-libarpack2_3.9.1-1_s390x.deb ...
248s Unpacking libarpack2:s390x (3.9.1-1) ...
248s Selecting previously unselected package libgomp1:s390x.
248s Preparing to unpack .../04-libgomp1_14-20240303-1ubuntu1_s390x.deb ...
248s Unpacking libgomp1:s390x (14-20240303-1ubuntu1) ...
248s Selecting previously unselected package libfftw3-double3:s390x.
248s Preparing to unpack .../05-libfftw3-double3_3.3.10-1ubuntu1_s390x.deb ...
248s Unpacking libfftw3-double3:s390x (3.3.10-1ubuntu1) ...
248s Selecting previously unselected package libaec0:s390x.
248s Preparing to unpack .../06-libaec0_1.1.2-1_s390x.deb ...
248s Unpacking libaec0:s390x (1.1.2-1) ...
248s Selecting previously unselected package libsz2:s390x.
248s Preparing to unpack .../07-libsz2_1.1.2-1_s390x.deb ...
248s Unpacking libsz2:s390x (1.1.2-1) ...
248s Selecting previously unselected package libhdf5-103-1:s390x.
248s Preparing to unpack .../08-libhdf5-103-1_1.10.10+repack-3ubuntu1_s390x.deb ...
248s Unpacking libhdf5-103-1:s390x (1.10.10+repack-3ubuntu1) ...
248s Selecting previously unselected package libhdf5-hl-100:s390x.
248s Preparing to unpack .../09-libhdf5-hl-100_1.10.10+repack-3ubuntu1_s390x.deb ...
248s Unpacking libhdf5-hl-100:s390x (1.10.10+repack-3ubuntu1) ...
248s Selecting previously unselected package libnetcdf19:s390x.
248s Preparing to unpack .../10-libnetcdf19_1%3a4.9.2-3ubuntu1_s390x.deb ...
248s Unpacking libnetcdf19:s390x (1:4.9.2-3ubuntu1) ...
248s Selecting previously unselected package cpptraj.
248s Preparing to unpack .../11-cpptraj_5.1.0+dfsg-3build1_s390x.deb ...
248s Unpacking cpptraj (5.1.0+dfsg-3build1) ...
248s Selecting previously unselected package netcdf-bin.
248s Preparing to unpack .../12-netcdf-bin_1%3a4.9.2-3ubuntu1_s390x.deb ...
248s Unpacking netcdf-bin (1:4.9.2-3ubuntu1) ...
248s Selecting previously unselected package autopkgtest-satdep.
248s Preparing to unpack .../13-1-autopkgtest-satdep.deb ...
248s Unpacking autopkgtest-satdep (0) ...
248s Setting up libgomp1:s390x (14-20240303-1ubuntu1) ...
248s Setting up libaec0:s390x (1.1.2-1) ...
248s Setting up libblas3:s390x (3.12.0-3) ...
248s update-alternatives: using /usr/lib/s390x-linux-gnu/blas/libblas.so.3 to provide /usr/lib/s390x-linux-gnu/libblas.so.3 (libblas.so.3-s390x-linux-gnu) in auto mode
248s Setting up libfftw3-double3:s390x (3.3.10-1ubuntu1) ...
248s Setting up libgfortran5:s390x (14-20240303-1ubuntu1) ...
248s Setting up libsz2:s390x (1.1.2-1) ...
248s Setting up liblapack3:s390x (3.12.0-3) ...
248s update-alternatives: using /usr/lib/s390x-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/s390x-linux-gnu/liblapack.so.3 (liblapack.so.3-s390x-linux-gnu) in auto mode
248s Setting up libarpack2:s390x (3.9.1-1) ...
248s Setting up libhdf5-103-1:s390x (1.10.10+repack-3ubuntu1) ...
248s Setting up libhdf5-hl-100:s390x (1.10.10+repack-3ubuntu1) ...
248s Setting up libnetcdf19:s390x (1:4.9.2-3ubuntu1) ...
248s Setting up cpptraj (5.1.0+dfsg-3build1) ...
248s Setting up netcdf-bin (1:4.9.2-3ubuntu1) ...
248s Setting up autopkgtest-satdep (0) ...
248s Processing triggers for man-db (2.12.0-3) ...
248s Processing triggers for libc-bin (2.39-0ubuntu2) ...
250s (Reading database ... 51816 files and directories currently installed.)
250s Removing autopkgtest-satdep (0) ...
251s autopkgtest [23:11:01]: test command1: mkdir bin && ln -s /usr/bin/cpptraj bin && make -C test test.complete summary
251s autopkgtest [23:11:01]: test command1: [-----------------------
251s make: Entering directory '/tmp/autopkgtest.jAowUr/build.orh/src/test'
251s lrwxrwxrwx 1 ubuntu ubuntu 16 Mar 16 23:11 ../bin/cpptraj -> /usr/bin/cpptraj
251s make[1]: Entering directory '/tmp/autopkgtest.jAowUr/build.orh/src/test'
251s ********************************************************************************
251s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_General
251s 
251s   CPPTRAJ: General tests
252s 
252s All 15 comparisons passed.
252s 
252s ********************************************************************************
252s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Parallel
252s 
252s   CPPTRAJ: Parallel tests.
252s 
252s   CPPTRAJ: Parallel test with trajectory offset
252s 
252s All 7 comparisons passed.
252s 
252s ********************************************************************************
252s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Strip
252s 
252s   CPPTRAJ: One frame strip command test
252s 
252s   CPPTRAJ: Unstrip (Lig/Rec/Complex) command test
252s 
252s   CPPTRAJ: Multi frame strip command test.
252s 
252s   CPPTRAJ: Strip topology with PDB info
252s 
252s All 11 comparisons passed.
252s 
252s ********************************************************************************
252s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_BrokenTraj
252s 
252s   CPPTRAJ: Broken Traj: Running good trajectory.
252s 
252s   CPPTRAJ: Broken Traj: Running broken trajectory.
252s 
252s   CPPTRAJ: Compressed broken trajectory test
252s 
252s All 2 comparisons passed.
252s 
252s ********************************************************************************
252s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_TrajinOffset
252s 
252s   CPPTRAJ: Normal trajectory read with offsets.
252s 
252s   CPPTRAJ: Gzipped trajectory read with offsets
252s 
252s   CPPTRAJ: Bzip2ed trajectory read with offsets
252s 
252s   CPPTRAJ: Start argument offset
252s 
252s All 4 comparisons passed.
252s 
252s ********************************************************************************
252s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_RemdTraj
252s 
252s   CPPTRAJ: CRD Replica Trajectory Run with offset
252s 
252s   CPPTRAJ: CRD Replica Trajectory Run
252s 
252s   CPPTRAJ: NetCDF Replica Trajectory Run test
252s 
252s   CPPTRAJ: CRD Replica Trajectory Run: Generating 300.00 traj
252s 
252s   CPPTRAJ: CRD Replica Trajectory Run: Generating 384.30 traj
252s 
252s   CPPTRAJ: CRD Replica Trajectory Run: Generating 492.20 traj
252s 
252s   CPPTRAJ: CRD Replica Trajectory Run: Generating 630.50 traj
252s 
252s   CPPTRAJ: CRD Replica Trajectory Run with remdout
252s 
252s All 8 comparisons passed.
252s 
252s ********************************************************************************
252s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_trajout_framerange
252s 
252s   CPPTRAJ: Trajout Frame Range [Amber Restart]
252s 
252s   CPPTRAJ: Trajout Frame Range [Amber Coordinates]
252s 
252s All 6 comparisons passed.
252s 
252s ********************************************************************************
252s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_PerResRMSD
252s 
252s   CPPTRAJ: Per-Residue RMSD Test.
252s 
252s   CPPTRAJ: Per-Residue RMSD Test with averaging
252s 
252s   CPPTRAJ: Per-Residue RMSD Test with residue centering.
252s 
252s All 3 comparisons passed.
252s 
252s ********************************************************************************
252s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_DSSP
252s 
252s   CPPTRAJ: Secstruct (DSSP) command test.
252s 
252s   CPPTRAJ: Secstruct (DSSP) command test, Ptraj Format.
252s 
252s   CPPTRAJ: Secstruct (DSSP) command with changing number of residues.
252s 
252s   CPPTRAJ: Secstruct (DSSP): SS assign output test
252s 
252s   CPPTRAJ: FtuFabI Assignment test
253s 
253s All 10 comparisons passed.
253s 
253s ********************************************************************************
253s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Center
253s 
253s   CPPTRAJ: Center command test.
253s 
253s   CPPTRAJ: Center origin command test.
253s 
253s   CPPTRAJ: Center origin mass command test.
253s 
253s   CPPTRAJ: Center reference command test.
253s 
253s   CPPTRAJ: Center point test.
253s 
253s All 5 comparisons passed.
253s 
253s ********************************************************************************
253s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Hbond
253s 
253s   CPPTRAJ: Solute Hbond test
253s 
253s   CPPTRAJ: Solute Hbond test with disk caching
253s 
253s   CPPTRAJ: Solute-solvent hbond test
253s 
253s   CPPTRAJ: Hbond, no intramolecular hydrogen bonds test
253s 
253s   CPPTRAJ: Hbond, specified solute masks
253s 
253s   CPPTRAJ: Hbond, no angle cutoff test
253s 
253s   CPPTRAJ: Hbond, Bridge nointramol test
253s 
253s   CPPTRAJ: Hbond with imaging
253s 
253s   CPPTRAJ: Hbond, orthogonal imaging
253s 
253s All 23 comparisons passed.
253s 
253s ********************************************************************************
253s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_NCrestart
253s 
253s   CPPTRAJ: NetCDF Restart Test - TXT->NetCDF
253s 
253s   CPPTRAJ: NetCDF Restart Test - NetCDF->TXT
253s 
253s   CPPTRAJ: NetCDF Restart w/ box Test - Txt->NetCDF
253s 
253s   CPPTRAJ: NetCDF Restart w/ box Test - NetCDF->Txt
253s 
253s All 2 comparisons passed.
253s 
253s ********************************************************************************
253s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Image
253s 
253s   CPPTRAJ: Orthorhombic imaged distance test.
253s 
253s   CPPTRAJ: Non-orthorhombic imaged distance test.
253s 
253s   CPPTRAJ: Orthorhombic coordinate imaging test
253s 
253s   CPPTRAJ: Nonorthorhombic coordinate imaging test
253s 
253s   CPPTRAJ: Nonorthorhombic coordinate imaging test with familiar
253s 
253s   CPPTRAJ: Nonorthorhombic coordinate imaging test with familiar and COM
253s 
253s All 6 comparisons passed.
253s 
253s ********************************************************************************
253s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Surf
253s 
253s   CPPTRAJ: Surface calculation test
254s 
254s   CPPTRAJ: Partial Surface calculation test
254s 
254s   CPPTRAJ: LCPO test with GAFF atom types
254s 
254s All 3 comparisons passed.
254s 
254s ********************************************************************************
254s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Radgyr
254s 
254s   CPPTRAJ: Radius of gyration command test
254s 
254s All 2 comparisons passed.
254s 
254s ********************************************************************************
254s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Mask
254s 
254s   CPPTRAJ: Mask single frame test
254s 
254s   CPPTRAJ: Mask longer command test.
254s 
254s All 5 comparisons passed.
254s 
254s ********************************************************************************
254s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Jcoupling
254s 
254s   CPPTRAJ: J-Coupling single frame test
254s   J-Coupling extended test requires CPPTRAJHOME or AMBERHOME to be set.
254s   Skipped test: J-Coupling extended test
254s 
254s All 1 comparisons passed.
254s 1 comparisons skipped.
254s 
254s ********************************************************************************
254s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Diffusion
254s 
254s   CPPTRAJ: Diffusion test, no imaging.
254s 
254s   CPPTRAJ: Diffusion test, old syntax.
254s 
254s   CPPTRAJ: Diffusion test, new syntax.
254s 
254s   CPPTRAJ: Diffusion test, nonorthogonal box
254s 
254s   CPPTRAJ: STFC Diffusion Test
254s 
254s   CPPTRAJ: STFC Diffusion Test with individual distances
254s 
254s   CPPTRAJ: STFC Diffusion Test with COM
254s 
254s   CPPTRAJ: STFC Diffusion Test with second mask
255s 
255s All 16 comparisons passed.
255s 
255s ********************************************************************************
255s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Outtraj
255s 
255s   CPPTRAJ: RMSD Test with outtraj.
255s 
255s   CPPTRAJ: Outtraj Test with maxmin.
255s 
255s All 4 comparisons passed.
255s 
255s ********************************************************************************
255s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Charmm
255s 
255s   CPPTRAJ: CHARMM PSF/DCD test
255s 
255s   CPPTRAJ: CHARMM DCD Write, step 1.
255s 
255s   CPPTRAJ: CHARMM DCD Write, step 2.
255s 
255s   CPPTRAJ: CHAMBER topology read/strip test.
255s 
255s   CPPTRAJ: Read CHARMM restart
255s 
255s   CPPTRAJ: CHARMM PSF write
255s 
255s   CPPTRAJ: CHARMM COORdinates test
255s 
255s All 6 comparisons passed.
255s 
255s ********************************************************************************
255s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CharmmParams
255s 
255s   CPPTRAJ: Test updating topology with Charmm parameters (single residue)
255s 
255s All 2 comparisons passed.
255s 
255s ********************************************************************************
255s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Rotdif
255s 
255s   CPPTRAJ: Rotational diffusion calculation test
255s 
255s All 4 comparisons passed.
255s 
255s ********************************************************************************
255s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_NetcdfTraj
255s 
255s   CPPTRAJ: Convert mdcrd -> NetCDF
255s 
255s   CPPTRAJ: Convert NetCDF -> mdcrd
255s 
255s All 1 comparisons passed.
255s 
255s ********************************************************************************
255s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Runavg
255s 
255s   CPPTRAJ: Coordinate Running Average test.
255s 
255s   CPPTRAJ: Coordinate Running Average Traj Write
255s 
255s All 2 comparisons passed.
255s 
255s ********************************************************************************
255s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_RMSD
255s 
255s   CPPTRAJ: Basic RMSD tests
255s 
255s   CPPTRAJ: RMS coordinate rotation/rotation matrices test
255s 
255s   CPPTRAJ: RMS fit with no coordinates modification test.
255s 
255s   CPPTRAJ: RMS fit to previous test
255s 
255s   CPPTRAJ: RMS: imaging after unit cell rotation
255s 
255s All 12 comparisons passed.
255s 
255s ********************************************************************************
255s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_2DRMS
255s 
255s   CPPTRAJ: 2D RMSD Test.
255s 
255s   CPPTRAJ: 2D RMSD Test, mass-weighted.
255s 
255s   CPPTRAJ: 2D RMSD Test with reference trajectory
255s 
255s   CPPTRAJ: 2D DME Test.
255s 
255s   CPPTRAJ: 2D RMSD with reference mask test.
256s 
256s   CPPTRAJ: 2D RMSD test, no fitting.
256s 
256s All 6 comparisons passed.
256s 
256s ********************************************************************************
256s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Mol2
256s 
256s   CPPTRAJ: Mol2 Parm/Traj Read/Write Test.
256s 
256s   CPPTRAJ: PDB => Mol2
256s 
256s   CPPTRAJ: Amber Top/Rst => Mol2
256s   Amber Top/Rst => Mol2, SYBYL atom types requires CPPTRAJHOME or AMBERHOME to be set.
256s   Skipped test: Amber Top/Rst => Mol2, SYBYL atom types
256s 
256s All 4 comparisons passed.
256s 1 comparisons skipped.
256s 
256s ********************************************************************************
256s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_NAstruct
256s 
256s   CPPTRAJ: NAstruct command test.
256s 
256s   CPPTRAJ: NAstruct command test, single strand
256s 
256s All 11 comparisons passed.
256s 
256s ********************************************************************************
256s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_NAstruct_8OG
256s 
256s   CPPTRAJ: NA test (8OG)
256s 
256s All 3 comparisons passed.
256s 
256s ********************************************************************************
256s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Average
256s 
256s   CPPTRAJ: Average Test.
256s 
256s All 2 comparisons passed.
256s 
256s ********************************************************************************
256s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Pucker
256s 
256s   CPPTRAJ: Pucker command test
256s 
256s   CPPTRAJ: 5-member ring pucker, Cremer & Pople Furanoid test
256s 
256s   CPPTRAJ: 6-member ring pucker, Cremer & Pople Pyranoid test.
256s 
256s All 3 comparisons passed.
256s 
256s ********************************************************************************
256s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_AtomMap
256s 
256s   CPPTRAJ: AtomMap Test
256s 
256s   CPPTRAJ: AtomMap with 'rmsfit'
256s 
256s   CPPTRAJ: Atom map charmm->amber atom order
256s 
256s   CPPTRAJ: Atom map charmm->amber atom order, by residue
256s 
256s All 9 comparisons passed.
256s 
256s ********************************************************************************
256s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Datafile
256s 
256s   CPPTRAJ: Data file output precision test
256s 
256s   CPPTRAJ: Standard -> Grace Data
256s 
256s   CPPTRAJ: Grace -> Standard Data
256s 
256s   CPPTRAJ: X column format/precision test.
256s 
256s   CPPTRAJ: Data file group by name test
256s 
256s   CPPTRAJ: Data file group by aspect test
256s 
256s All 6 comparisons passed.
256s 
256s ********************************************************************************
256s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Radial
256s 
256s   CPPTRAJ: Radial test, non-orthogonal imaging
256s 
256s   CPPTRAJ: Radial test, orthogonal and no imaging
256s 
256s All 9 comparisons passed.
256s 
256s ********************************************************************************
256s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Hist
256s 
256s   CPPTRAJ: 1D/2D Histogram Analysis test
256s 
256s   CPPTRAJ: 3D histogram test.
256s 
256s All 7 comparisons passed.
256s 
256s ********************************************************************************
256s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Closest
256s 
256s   CPPTRAJ: Closest command test using first solvent atom.
256s 
256s   CPPTRAJ: Closest command test using all solvent atoms.
257s 
257s   CPPTRAJ: Closest command test, using mask center
257s 
257s   CPPTRAJ: Closest command test, using mask center and solvent mask
257s 
257s   CPPTRAJ: Closest command test, solvent mask, water oxygen only
257s 
257s All 8 comparisons passed.
257s 
257s ********************************************************************************
257s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_DRMSD
257s 
257s   CPPTRAJ: Distance RMSD test
257s 
257s All 1 comparisons passed.
257s 
257s ********************************************************************************
257s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cluster
257s 
257s   CPPTRAJ: Cluster command test, in-memory pairwise distances.
257s 
257s   CPPTRAJ: Cluster command test, read pairwise distances.
257s 
257s   CPPTRAJ: Cluster command test, read NetCDF pairwise distances.
257s 
257s   CPPTRAJ: Cluster command test, write ASCII pairwise distances.
257s 
257s   CPPTRAJ: Cluster command test, read ASCII pairwise distances.
257s 
257s All 9 comparisons passed.
257s 
257s ********************************************************************************
257s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cluster_Sieve
257s 
257s   CPPTRAJ: Cluster, nosieve 
257s 
257s   CPPTRAJ: Cluster, sieve5 
257s 
257s   CPPTRAJ: Cluster, nosieve savepairdist
257s 
257s   CPPTRAJ: Cluster, nosieve loadpairdist
257s 
257s   CPPTRAJ: Cluster, sieve5 savepairdist
257s 
257s   CPPTRAJ: Cluster, sieve5 loadpairdist
257s 
257s   CPPTRAJ: Cluster, nosieve pairwisecache none
258s 
258s   CPPTRAJ: Cluster, sieve5 pairwisecache none
258s 
258s   CPPTRAJ: Cluster, random 
258s 
258s All 28 comparisons passed.
258s 
258s ********************************************************************************
258s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cluster_RandomSieve
258s 
258s   CPPTRAJ: Cluster test with random sieve (Save Pairwise Distances).
258s 
258s   CPPTRAJ: Cluster test with random sieve (Load Pairwise Distances).
258s 
258s All 4 comparisons passed.
258s 
258s ********************************************************************************
258s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cluster_DataSet
258s 
258s   CPPTRAJ: Clustering, One DataSet
258s 
258s   CPPTRAJ: Clustering, Two DataSets
258s 
258s   CPPTRAJ: Clustering, dihedral DataSet
258s 
258s   CPPTRAJ: Clustering, two dihedral DataSets
258s 
258s   CPPTRAJ: Clustering, dihedral DataSet, K-means
258s 
258s   CPPTRAJ: Clustering, two dihedral DataSets, K-means
258s 
258s All 8 comparisons passed.
258s 
258s ********************************************************************************
258s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cluster_DBSCAN
258s 
258s   CPPTRAJ: DBSCAN test
258s 
258s   CPPTRAJ: DBSCAN automatic parameter determination test.
258s 
258s   CPPTRAJ: DBSCAN kdist map test
258s 
258s   CPPTRAJ: DBSCAN with sieve
258s 
258s All 4 comparisons passed.
258s 
258s ********************************************************************************
258s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cluster_Kmeans
258s 
258s   CPPTRAJ: Cpptraj Kmeans
258s 
258s   CPPTRAJ: Cpptraj Kmeans random
258s 
258s All 6 comparisons passed.
258s 
258s ********************************************************************************
258s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cluster_SymmRMSD
258s 
258s   CPPTRAJ: Clustering with symmetry-corrected RMSD metric (also 2D SRMSD)
258s 
258s All 5 comparisons passed.
258s 
258s ********************************************************************************
258s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cluster_TrajWrites
258s 
258s   CPPTRAJ: Cluster command test, coordinate writes.
258s 
258s   CPPTRAJ: Cluster command test, coordinate writes using info file.
258s 
258s All 8 comparisons passed.
258s 
258s ********************************************************************************
258s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cluster_Dpeaks
258s 
258s   CPPTRAJ: Density peaks clustering test
258s 
258s All 3 comparisons passed.
258s 
258s ********************************************************************************
258s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cluster_Nreps
258s 
258s   CPPTRAJ: Clustering with specified # reps
258s 
258s All 2 comparisons passed.
258s 
258s ********************************************************************************
258s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_IRED
258s 
258s   CPPTRAJ: IRED vector/matrix test
259s 
259s 
259s ********************************************************************************
259s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_RandomizeIons
259s 
259s   CPPTRAJ: randomizeions test (original algorithm)
259s 
259s   CPPTRAJ: Randomize (around, overlap)
259s 
259s   CPPTRAJ: Randomize (around)
260s 
260s   CPPTRAJ: Randomize (overlap)
260s 
260s   CPPTRAJ: Randomize (no restrictions)
260s 
260s All 5 comparisons passed.
260s 
260s ********************************************************************************
260s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Molsurf
260s 
260s   CPPTRAJ: Molsurf test
260s 
260s All 1 comparisons passed.
260s 
260s ********************************************************************************
260s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Corr
260s 
260s   CPPTRAJ: Correlation test
260s 
260s All 2 comparisons passed.
260s 
260s ********************************************************************************
260s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CheckStructure
260s 
260s   CPPTRAJ: Structure Check
260s 
260s   CPPTRAJ: Structure Check with Around and Skip
260s 
260s   CPPTRAJ: Structure Check with PBC
261s 
261s   CPPTRAJ: Structure Check with Around
261s 
261s All 8 comparisons passed.
261s 
261s ********************************************************************************
261s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_RmsAvgCorr
261s 
261s   CPPTRAJ: RmsAvgCorr Reference
261s 
261s   CPPTRAJ: RmsAvgCorr First
261s 
261s All 3 comparisons passed.
261s 
261s ********************************************************************************
261s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Contacts
261s 
261s   CPPTRAJ: Contacts test.
261s 
261s All 3 comparisons passed.
261s 
261s ********************************************************************************
261s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Principal
261s 
261s   CPPTRAJ: Principal Test
261s 
261s All 3 comparisons passed.
261s 
261s ********************************************************************************
261s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_ClusterDihedral
261s 
261s   CPPTRAJ: clusterdihedral test
261s 
261s All 4 comparisons passed.
261s 
261s ********************************************************************************
261s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Vector
261s 
261s   CPPTRAJ: Basic vector tests
261s 
261s   CPPTRAJ: Test vector center with magnitude
261s 
261s   CPPTRAJ: Momentum/velocity vector test.
261s 
261s   CPPTRAJ: Force vector test.
261s 
261s All 14 comparisons passed.
261s 
261s ********************************************************************************
261s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Matrix
261s 
261s   CPPTRAJ: Matrix Tests
261s 
261s   CPPTRAJ: Generate matrix with trajectory start/stop/offset
261s 
261s   CPPTRAJ: Generate matrix with action stop/start/offset
261s 
261s All 15 comparisons passed.
261s 
261s ********************************************************************************
261s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_AtomicFluct
261s 
261s   CPPTRAJ: Atomic fluctuations test [@C,CA,N byres bfactor].
261s 
261s   CPPTRAJ: Atomic fluctuations test [:2-12 byatom].
261s 
261s   CPPTRAJ: Atomic fluctuations test [bymask :3,4,5].
261s 
261s   CPPTRAJ: Atomic fluctuations test [start 10 stop 30 offset 2 byres bfactor].
261s 
261s   CPPTRAJ: Atomicfluct test with ADP output
261s 
261s   CPPTRAJ: Atomicfluct test with PDB B-factor/occupancy output.
262s 
262s All 13 comparisons passed.
262s 
262s ********************************************************************************
262s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Grid
262s 
262s   CPPTRAJ: Dipole test
262s 
262s   CPPTRAJ: Grid test
262s 
262s   CPPTRAJ: OpenDX Grid read test
262s 
262s   CPPTRAJ: Grid with specified center test.
262s 
262s   CPPTRAJ: Grid with box center offset test.
262s 
262s   CPPTRAJ: Grid with mask center offset test.
262s 
262s   CPPTRAJ: Non-orthogonal grid test.
262s 
262s   CPPTRAJ: Non-orthogonal grid centered on bin center and wrapped test
262s 
262s   CPPTRAJ: Grid generation from 'bounds' test.
262s 
262s All 13 comparisons passed.
262s 
262s ********************************************************************************
262s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Unwrap
262s 
262s   CPPTRAJ: Unwrap non-orthogonal test
262s 
262s   CPPTRAJ: Unwrap orthogonal test
262s 
262s All 2 comparisons passed.
262s 
262s ********************************************************************************
262s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Project
262s 
262s   CPPTRAJ: Projection
262s 
262s All 1 comparisons passed.
262s 
262s ********************************************************************************
262s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Analyze_Modes
262s 
262s   CPPTRAJ: Modes analysis, RMS fluctuations
262s 
262s   CPPTRAJ: Modes analysis, displacements
262s 
262s   CPPTRAJ: Modes analysis, dipole correlation
262s 
262s   CPPTRAJ: Modes analysis, pseudo trajectory creation test
262s 
262s   CPPTRAJ: Modes analysis, RMSIP and eigenvalue fraction test
262s 
262s All 6 comparisons passed.
262s 
262s ********************************************************************************
262s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Watershell
262s 
262s   CPPTRAJ: Watershell Test, non-orthorhombic imaging.
263s 
263s   CPPTRAJ: Watershell Test, orthorhombic imaging.
263s 
263s   CPPTRAJ: Watershell Test, no imaging.
263s 
263s All 3 comparisons passed.
263s 
263s ********************************************************************************
263s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_AnalysisRunAvg
263s 
263s   CPPTRAJ: Analysis Running Average
263s 
263s All 2 comparisons passed.
263s 
263s ********************************************************************************
263s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Volmap
263s 
263s   CPPTRAJ: VMD VolMap Algorithm test
263s   VMD VolMap Algorithm longer tests is a long test and long tests disabled. Use 'long' to run.
263s   Skipped test: VMD VolMap Algorithm longer tests
263s 
263s All 2 comparisons passed.
263s 1 comparisons skipped.
263s 
263s ********************************************************************************
263s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_SPAM
263s 
263s   CPPTRAJ: SPAM Test
264s 
264s   CPPTRAJ: SPAM Pure Solvent Test
266s 
266s   1 out of 5 comparisons failed.
266s 
266s ********************************************************************************
266s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_LIE
266s 
266s   CPPTRAJ: LIE test
266s 
266s All 1 comparisons passed.
266s 
266s ********************************************************************************
266s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Density
266s 
266s   CPPTRAJ: Density along axis tests
266s 
266s   CPPTRAJ: Multi-frame density along axis test
266s 
266s   CPPTRAJ: Total system density test
266s 
266s All 7 comparisons passed.
266s 
266s ********************************************************************************
266s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_LipidOrder
266s 
266s   CPPTRAJ: Lipid Order Parameter Test.
266s 
266s All 6 comparisons passed.
266s 
266s ********************************************************************************
266s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_LipidSCD
266s 
266s   CPPTRAJ: Basic lipid order parameter test
266s 
266s   CPPTRAJ: New Lipid Order Parameter Test, DOPC.
266s 
266s All 4 comparisons passed.
266s 
266s ********************************************************************************
266s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_PairDist
266s 
266s   CPPTRAJ: PairDist Test.
267s 
267s   CPPTRAJ: Pairdist test, orthogonal imaging.
267s 
267s   CPPTRAJ: Pairdist test, nonorthogonal imaging.
268s 
268s   CPPTRAJ: Pairdist test, 2 masks.
268s 
268s All 4 comparisons passed.
268s 
268s ********************************************************************************
268s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_ReadData
268s 
268s   CPPTRAJ: Read vector data test (no origins, origins)
268s 
268s   CPPTRAJ: Read vector data set (origins, no origins)
268s 
268s   CPPTRAJ: Read Amber output test
268s 
268s   CPPTRAJ: Read CHARMM output test
268s 
268s   CPPTRAJ: 3D data read/write test
268s 
268s   CPPTRAJ: Standard 3D data write test
268s 
268s   CPPTRAJ: Standard 3D data read test
268s 
268s   CPPTRAJ: Standard 3D data read/append test
268s 
268s   CPPTRAJ: Standard 3D data, sparse
268s 
268s   CPPTRAJ: Nonorthogonal grid standard write/read tests.
268s 
268s   CPPTRAJ: Read specific columns test.
268s 
268s   CPPTRAJ: Write non-square matrix
268s 
268s   CPPTRAJ: Read non-square matrix
268s 
268s   CPPTRAJ: Read square matrix
268s 
268s All 15 comparisons passed.
268s 
268s ********************************************************************************
268s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_GIST
268s 
268s   CPPTRAJ: GIST water-water interaction test
270s 
270s   CPPTRAJ: GIST test, orthogonal cell
272s 
272s   CPPTRAJ: GIST test, nonorthogonal cell
277s 
277s All 11 comparisons passed.
277s 
277s ********************************************************************************
277s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_GIST_Order
277s 
277s   CPPTRAJ: TIP3P water cluster test
277s 
277s   CPPTRAJ: TIP4P water cluster test
277s 
277s   CPPTRAJ: TIP5P water cluster test
277s 
277s All 4 comparisons passed.
277s 
277s ********************************************************************************
277s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_systemVF
277s 
277s   CPPTRAJ: Amber NetCDF trajectory with Velocity/Force test
277s 
277s All 1 comparisons passed.
277s 
277s ********************************************************************************
277s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_AtomicCorr
277s 
277s   CPPTRAJ: Atomic Correlation test
277s 
277s All 1 comparisons passed.
277s 
277s ********************************************************************************
277s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_AutoCorr
277s 
277s   CPPTRAJ: AutoCorr test.
277s 
277s All 1 comparisons passed.
277s 
277s ********************************************************************************
277s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Box
277s 
277s   CPPTRAJ: Box Test (Add box info)
278s 
278s   CPPTRAJ: Box test (remove box info)
278s 
278s   CPPTRAJ: Box test (Modify box length)
278s 
278s   CPPTRAJ: Box test (auto orthogonal box, no radii)
278s 
278s   CPPTRAJ: Box test (auto orthogonal box, VDW radii)
278s 
278s All 7 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_AtomTypeSelect
278s 
278s   CPPTRAJ: Selection by atom type test.
278s 
278s All 1 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_AvgRef
278s 
278s   CPPTRAJ: RMSD Test with averaged reference coordinates.
278s 
278s All 1 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Crank_Stat
278s 
278s   CPPTRAJ: Crankshaft test
278s 
278s All 3 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CreateCrd
278s 
278s   CPPTRAJ: COORDS data set creation and CRDFLUCT test.
278s 
278s   CPPTRAJ: COORDS data set creation with velocities test
278s 
278s   CPPTRAJ: TRAJ data set creation and CRDFLUCT test.
278s 
278s   CPPTRAJ: TRAJ data set creation with velocities test.
278s 
278s   CPPTRAJ: COORDS data set append test
278s 
278s   CPPTRAJ: COORDS test storing frame metadata
278s 
278s   CPPTRAJ: TRAJ test storing frame metadata
278s 
278s All 8 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_AutoImage
278s 
278s   CPPTRAJ: AutoImage test (split DNA duplex)
278s 
278s   CPPTRAJ: AutoImage test, use anchor mask
278s 
278s All 2 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_LoadCrd
278s 
278s   CPPTRAJ: LoadCrd test.
278s 
278s   CPPTRAJ: LoadTraj test.
278s 
278s   CPPTRAJ: LoadTraj from trajin test.
278s 
278s   CPPTRAJ: LoadCrd append from multiple files test
278s 
278s All 4 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_MultiVector
278s 
278s   CPPTRAJ: Multivector test
278s 
278s All 1 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Lifetime
278s 
278s   CPPTRAJ: Lifetime test.
278s 
278s   CPPTRAJ: Lifetime test with data set caching.
278s 
278s   CPPTRAJ: Lifetime average and cumulative average test.
278s 
278s All 12 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_FFT
278s 
278s   CPPTRAJ: FFT test.
278s 
278s All 5 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Timecorr
278s 
278s   CPPTRAJ: Timecorr test.
278s 
278s All 7 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CrossCorr
278s 
278s   CPPTRAJ: CrossCorr test
278s 
278s All 1 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_SymmRmsd
278s 
278s   CPPTRAJ: SymmRmsd
278s 
278s   CPPTRAJ: ASP symmetry-corrected RMSD test
278s 
278s   CPPTRAJ: GLU symmetry-corrected RMSD test
278s 
278s   CPPTRAJ: TYR symmetry-corrected RMSD test
278s 
278s   CPPTRAJ: Longer symmetry-corrected RMSD test.
278s 
278s All 8 comparisons passed.
278s 
278s ********************************************************************************
278s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Multidihedral
278s 
278s   CPPTRAJ: Multidihedral test
279s 
279s   CPPTRAJ: Multidihedral Nucleotide CHI test
279s 
279s   CPPTRAJ: Multidihedral protein dihedrals test
279s 
279s   CPPTRAJ: Multidihedral cyclic molecule test
279s 
279s All 6 comparisons passed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Ensemble_MREMD
279s 
279s   CPPTRAJ: M-REMD sort test.
279s 
279s   CPPTRAJ: M-REMD actions test.
279s 
279s   CPPTRAJ: M-REMD ensemble outtraj test.
279s 
279s   CPPTRAJ: M-REMD no sort, running average test
279s 
279s   CPPTRAJ: M-REMD, generate RMS data
279s 
279s   CPPTRAJ: M-REMD, meltcurve analysis
279s 
279s All 17 comparisons passed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_MakeStructure
279s 
279s   CPPTRAJ: Basic makestructure test
279s 
279s   CPPTRAJ: Makestructure test with reference.
279s 
279s All 5 comparisons passed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Rotate
279s 
279s   CPPTRAJ: Rotation (and inverse) of coords from matrices
279s 
279s   CPPTRAJ: Rotate with defined axis
279s 
279s All 3 comparisons passed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Integrate
279s 
279s   CPPTRAJ: Integration test.
279s 
279s All 2 comparisons passed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_NativeContacts
279s 
279s   CPPTRAJ: NativeContacts test.
279s 
279s   CPPTRAJ: NativeContacts test, save non-native contacts, residue time series
279s 
279s   CPPTRAJ: NativeContacts test, orthorhombic imaging.
279s 
279s All 17 comparisons passed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CheckChiral
279s 
279s   CPPTRAJ: Check chirality test
279s 
279s All 1 comparisons passed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Energy
279s 
279s   CPPTRAJ: Simple energy tests
279s 
279s   CPPTRAJ: Test kinetic energy calculation
279s 
279s   CPPTRAJ: Test total energy calculation
279s 
279s   CPPTRAJ: Test partial energy calculation
279s 
279s All 6 comparisons passed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_LESsplit
279s 
279s   CPPTRAJ: LES split/average test
279s 
279s All 2 comparisons passed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_PermuteDihedrals
279s 
279s   CPPTRAJ: PermuteDihedrals interval -120, phi psi
279s 
279s   CPPTRAJ: PermuteDihedrals, random rotations
279s 
279s All 4 comparisons passed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CCP4
279s 
279s   CPPTRAJ: CCP4 read/write and DX conversion test.
279s Error: Mode 33554432; currently only mode 2 for CCP4 files is supported.
279s Error: reading datafile fav8.guv.O.1.ccp4
279s Error: Could not read data file 'fav8.guv.O.1.ccp4'.
279s 	1 errors encountered reading input.
279s Error: Error(s) occurred during execution.
279s Error:  cpptraj exited with status 1
279s 
279s   1 out of 1 executions exited with an error.
279s   2 out of 2 comparisons failed.
279s 
279s ********************************************************************************
279s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_DihCovar
279s 
279s   CPPTRAJ: Dihedral Covariance Matrix Test
280s 
280s All 3 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CurveFit
280s 
280s   CPPTRAJ: Curve fitting test.
280s 
280s   CPPTRAJ: Curve fitting multi-exponential tests.
280s 
280s   CPPTRAJ: Curve fitting, custom output range.
280s 
280s All 6 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Multicurve
280s 
280s   CPPTRAJ: Multicurve test
280s 
280s All 1 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_DataSetAverage
280s 
280s   CPPTRAJ: Data set averaging and averaging over all sets test.
280s 
280s All 2 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_VectorMath
280s 
280s   CPPTRAJ: Vector dot/cross product test
280s 
280s All 2 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Esander
280s   SANDER energy tests (long) requires SANDER API from AmberTools.
280s   Cpptraj was compiled without SANDER API from AmberTools support.
280s   SANDER energy tests (long) is a long test and long tests disabled. Use 'long' to run.
280s   SKIP: SANDER energy tests (long)
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Esander_Short
280s   Energy via sander API short tests (GB/PME) requires SANDER API from AmberTools.
280s   Cpptraj was compiled without SANDER API from AmberTools support.
280s   SKIP: Energy via sander API short tests (GB/PME)
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Temperature
280s 
280s   CPPTRAJ: Temperature test.
280s 
280s   CPPTRAJ: Temperature with SHAKE on hydrogens.
280s 
280s   CPPTRAJ: Temperature with SHAKE on all atoms.
280s 
280s   CPPTRAJ: Temperature calc with extra points.
280s 
280s All 5 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Spline
280s 
280s   CPPTRAJ: Spline test
280s 
280s All 1 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_KDE
280s 
280s   CPPTRAJ: KDE test.
280s 
280s   CPPTRAJ: KDE with Kullback-Leibler divergence test
280s 
280s All 4 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Wavelet
280s 
280s   CPPTRAJ: Wavelet analysis test
280s 
280s   CPPTRAJ: Wavelet WAFEX test
280s 
280s All 3 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CIF
280s 
280s   CPPTRAJ: CIF read test
280s 
280s   CPPTRAJ: Generate offset traj from PDB
280s 
280s   CPPTRAJ: Generate offset traj from CIF
280s 
280s All 2 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_PDB
280s 
280s   CPPTRAJ: PDB format read/write test
280s 
280s   CPPTRAJ: PQR file write with various radii
280s 
280s   CPPTRAJ: PDB filter alternate atom location IDs test
280s 
280s   CPPTRAJ: Adding PDB info to topology
280s 
280s All 10 comparisons passed.
280s 
280s ********************************************************************************
280s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Align
280s 
280s   CPPTRAJ: Align Tests.
280s 
280s   CPPTRAJ: Align, unit cell rotation/imaging test.
281s 
281s All 4 comparisons passed.
281s 
281s ********************************************************************************
281s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_VelocityAutoCorr
281s 
281s   CPPTRAJ: Velocity autocorrelation test
281s 
281s All 3 comparisons passed.
281s 
281s ********************************************************************************
281s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_VelFrc
281s 
281s   CPPTRAJ: Test combining coordinates, velocities, and forces.
281s 
281s   CPPTRAJ: Test using velocities as coordinates.
281s 
281s   CPPTRAJ: Test writing velocities (MDVEL)
281s 
281s   CPPTRAJ: Test using forces as coordinates.
281s 
281s   CPPTRAJ: Test writing forces (MDFRC)
281s 
281s   CPPTRAJ: Test writing combined coords/velocity/force NetCDF restart.
281s 
281s   CPPTRAJ: Test reading combined coords/velocity/force NetCDF restart.
281s 
281s All 5 comparisons passed.
281s 
281s ********************************************************************************
281s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_RotateDihedral
281s 
281s   CPPTRAJ: Rotate dihedral to target value.
281s 
281s   CPPTRAJ: Rotate dihedral by increment
281s 
281s   CPPTRAJ: Rotate dihedral in TRAJ data set
281s 
281s All 3 comparisons passed.
281s 
281s ********************************************************************************
281s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_DataSetCmd
281s 
281s   CPPTRAJ: Data Set commands test
281s 
281s All 10 comparisons passed.
281s 
281s ********************************************************************************
281s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Remap
281s 
281s   CPPTRAJ: Remap Test
281s 
281s All 1 comparisons passed.
281s 
281s ********************************************************************************
281s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CompareTop
281s 
281s   CPPTRAJ: Compare topology test
281s 
281s All 1 comparisons passed.
281s 
281s ********************************************************************************
281s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Filter
281s 
281s   CPPTRAJ: Basic filter test
281s 
281s   CPPTRAJ: Data filter test.
281s 
281s   CPPTRAJ: Filter matrix test.
281s 
281s All 5 comparisons passed.
281s 
281s ********************************************************************************
281s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CombineCrd
281s 
281s   CPPTRAJ: Combine COORDS test.
281s 
281s   CPPTRAJ: Combine COORDS test with box info.
281s 
281s   CPPTRAJ: Split coords and recombine test.
282s 
282s All 5 comparisons passed.
282s 
282s ********************************************************************************
282s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_TopInfo
282s 
282s   CPPTRAJ: Topology info print test.
282s 
282s   CPPTRAJ: Topology info with reference coords test
282s 
282s All 12 comparisons passed.
282s 
282s ********************************************************************************
282s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_GromacsTrr
282s 
282s   CPPTRAJ: TRR force/velocity read -> NetCDF write test
283s Error: # atoms in TRX file (0) does not match # atoms in parm nvt.protein.mol2 (1960)
283s Error: Could not set up 'nvt.2frame.trr' for reading.
283s Error: Could not set up input trajectory 'nvt.2frame.trr'.
283s 	1 errors encountered reading input.
283s Error: Error(s) occurred during execution.
283s Error:  cpptraj exited with status 1
283s 
283s   CPPTRAJ: TRR force/velocity read -> TRR write test
284s Error: # atoms in TRX file (0) does not match # atoms in parm nvt.protein.mol2 (1960)
284s Error: Could not set up 'nvt.2frame.trr' for reading.
284s Error: Could not set up input trajectory 'nvt.2frame.trr'.
284s 	1 errors encountered reading input.
284s Error: Error(s) occurred during execution.
284s Error:  cpptraj exited with status 1
284s 
284s   CPPTRAJ: CRD => TRR
284s 
284s   CPPTRAJ: TRR => CRD
284s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827)
284s Error: Could not set up 'mop.trr' for reading.
284s Error: Could not set up input trajectory 'mop.trr'.
284s 	1 errors encountered reading input.
284s Error: Error(s) occurred during execution.
284s Error:  cpptraj exited with status 1
284s 
284s   CPPTRAJ: CRD(1-5) => TRR
284s 
284s   CPPTRAJ: CRD(6-10) => TRR
284s 
284s   CPPTRAJ: TRR (appended) => CRD
285s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827)
285s Error: Could not set up 'mop.trr' for reading.
285s Error: Could not set up input trajectory 'mop.trr'.
285s 	1 errors encountered reading input.
285s Error: Error(s) occurred during execution.
285s Error:  cpptraj exited with status 1
285s 
285s   CPPTRAJ: GMX: CRD with offset
285s 
285s   CPPTRAJ: GMX: TRR with offset
285s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827)
285s Error: Could not set up 'mop.trr' for reading.
285s Error: Could not set up input trajectory 'mop.trr'.
285s 	1 errors encountered reading input.
285s Error: Error(s) occurred during execution.
285s Error:  cpptraj exited with status 1
285s 
285s   5 out of 9 executions exited with an error.
285s   5 out of 5 comparisons failed.
285s 
285s ********************************************************************************
285s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_GromacsXtc
285s 
285s   CPPTRAJ: XTC read test
285s 
285s   CPPTRAJ: CRD => XTC
286s 
286s   CPPTRAJ: XTC => CRD
286s 
286s   CPPTRAJ: CRD(1-5) => XTC
286s 
286s   CPPTRAJ: CRD(6-10) => XTC
286s 
286s   CPPTRAJ: XTC (appended) => CRD
286s 
286s   CPPTRAJ: GMX: CRD with offset
286s 
286s   CPPTRAJ: GMX: XTC with offset
286s 
286s All 4 comparisons passed.
286s 
286s ********************************************************************************
286s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_GromacsTNG
286s 
286s   CPPTRAJ: TNG read test
286s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
286s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
286s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
286s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
286s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s 
286s   CPPTRAJ: TNG read test (with offset)
286s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
286s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
286s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
286s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
286s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
286s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
286s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
286s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
286s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
286s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
286s 
286s   6 out of 6 comparisons failed.
286s 
286s ********************************************************************************
286s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Ewald
286s 
286s   CPPTRAJ: Direct sum test
287s 
287s   CPPTRAJ: Ewald test (NaCl crystal)
287s 
287s   CPPTRAJ: Ewald test (trunc. oct)
287s 
287s   CPPTRAJ: Ewald test (partial system, trunc. oct)
287s   Ewald test (trunc. oct), 10 frames is a long test and long tests disabled. Use 'long' to run.
287s   Skipped test: Ewald test (trunc. oct), 10 frames
287s   Ewald test (ortho), 10 frames is a long test and long tests disabled. Use 'long' to run.
287s   Skipped test: Ewald test (ortho), 10 frames
287s 
287s All 4 comparisons passed.
287s 2 comparisons skipped.
287s 
287s ********************************************************************************
287s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_LibPME
287s 
287s   CPPTRAJ: Particle mesh Ewald test (NaCl crystal)
287s 
287s   CPPTRAJ: Particle mesh Ewald test (trunc. oct)
287s 
287s   CPPTRAJ: Particle mesh Ewald test (ortho)
287s 
287s   CPPTRAJ: Particle mesh Ewald test (ortho, with mask)
287s 
287s   CPPTRAJ: PME test (partial system, trunc. oct)
288s   PME test (trunc. oct), 10 frames is a long test and long tests disabled. Use 'long' to run.
288s   Skipped test: PME test (trunc. oct), 10 frames
288s 
288s All 5 comparisons passed.
288s 1 comparisons skipped.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_LJ_PME
288s 
288s   CPPTRAJ: LJ PME test.
288s 
288s   CPPTRAJ: LJ PME kappa sweep test, 0.25
288s 
288s   CPPTRAJ: LJ PME kappa sweep test, 0.35
288s 
288s   CPPTRAJ: LJ PME kappa sweep test, 0.45
288s 
288s   CPPTRAJ: LJ PME kappa sweep test, 0.5
288s 
288s   CPPTRAJ: LJ with switch function test
288s 
288s All 5 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_TI
288s 
288s   CPPTRAJ: TI analysis test.
288s 
288s All 5 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_FixImagedBonds
288s 
288s   CPPTRAJ: Fix imaged bonds test (Ortho.)
288s 
288s   CPPTRAJ: Fix imaged bonds test (Non-ortho.)
288s 
288s All 2 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Distance
288s 
288s   CPPTRAJ: Distance tests
288s 
288s   CPPTRAJ: Orthogonal imaged distance
288s 
288s   CPPTRAJ: Non-orthogonal imaged distance
288s 
288s All 3 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Volume
288s 
288s   CPPTRAJ: Volume tests
288s 
288s All 1 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_SetVelocity
288s 
288s   CPPTRAJ: Set Velocity test
288s 
288s   CPPTRAJ: Scale velocity test
288s 
288s   1 out of 3 comparisons failed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Remlog
288s 
288s   CPPTRAJ: Replica log read/analyze test.
288s 
288s All 7 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_AreaPerMol
288s 
288s   CPPTRAJ: Area per molecule test
288s 
288s All 6 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_DistBasedMask
288s 
288s   CPPTRAJ: Distance-based atom mask tests (atom, residue)
288s 
288s   CPPTRAJ: Distance-based atom mask tests (molecule)
288s 
288s All 6 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Calc
288s 
288s   CPPTRAJ: Calc test
288s 
288s   CPPTRAJ: Calc test with data sets
288s 
288s   CPPTRAJ: Test math functions
288s 
288s All 4 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CalcState
288s 
288s   CPPTRAJ: Calcstate test
288s 
288s All 4 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Change
288s 
288s   CPPTRAJ: Change atom and residue name tests
288s 
288s   CPPTRAJ: Change chain ID test
288s 
288s   CPPTRAJ: Change chain ID of COORDS set test
288s 
288s All 3 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CreateReservoir
288s 
288s   CPPTRAJ: Create RREMD NetCDF reservoir test
288s 
288s All 1 comparisons passed.
288s 
288s ********************************************************************************
288s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_FixAtomOrder
288s 
288s   CPPTRAJ: Out of order molecules test
289s 
289s All 2 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_LowestCurve
289s 
289s   CPPTRAJ: LowestCurve test
289s 
289s All 1 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_MinImage
289s 
289s   CPPTRAJ: Minimum Image test.
289s 
289s All 1 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Regress
289s 
289s   CPPTRAJ: Linear regression test.
289s 
289s All 3 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Rst
289s 
289s   CPPTRAJ: Generate restraints (rst) test
289s 
289s All 1 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Pairwise
289s 
289s   CPPTRAJ: Pairwise tests
289s 
289s   CPPTRAJ: Pairwise test, partial system
289s 
289s All 10 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_ParmBox
289s 
289s   CPPTRAJ: Parmbox test
289s 
289s All 1 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Solvent
289s 
289s   CPPTRAJ: Test solvent command with closest
289s 
289s All 1 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Translate
289s 
289s   CPPTRAJ: Translate test
289s 
289s All 1 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_ReplicateCell
289s 
289s   CPPTRAJ: Replicate cell test
289s 
289s All 1 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_ScaleDihedralK
289s 
289s   CPPTRAJ: Scale dihedral force constant test
289s 
289s   CPPTRAJ: Scale dihedral force constant with 'useall'
289s 
289s All 2 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_PhiPsi
289s 
289s   CPPTRAJ: Phipsi test
289s 
289s All 1 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Control
289s 
289s   CPPTRAJ: Loop tests
289s 
289s   CPPTRAJ: Test set command
289s 
289s   CPPTRAJ: Test reading comma-separated list of strings
289s 
289s   CPPTRAJ: Test nested loops and variables in loops
289s 
289s   CPPTRAJ: Test loop over data set blocks
289s 
289s   CPPTRAJ: Test for filename wildcards and oversets
289s 
289s All 13 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_InfraredSpec
289s 
289s   CPPTRAJ: Infrared spectrum calculation test
289s 
289s All 2 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Cphstats
289s 
289s   CPPTRAJ: Explicit pH REMD ensemble data read / sort
289s 
289s   CPPTRAJ: Constant pH stats test
289s 
289s   CPPTRAJ: Sorted implicit constant pH stats test
289s 
289s   CPPTRAJ: Implicit pH REMD ensemble data read / sort / stats
289s 
289s   CPPTRAJ: Unsorted pH read/write test
289s 
289s All 16 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CmdLine
289s 
289s   CPPTRAJ: Command line trajectory args test, part 1
289s 
289s   CPPTRAJ: Command line test trajectory args test, part 2
289s 
289s   CPPTRAJ: Command line wildcard test, part 1
289s 
289s   CPPTRAJ: Command line wildcard test, part 2
289s 
289s All 2 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_XYZformat
289s 
289s   CPPTRAJ: XYZ format write
289s 
289s   CPPTRAJ: Atom XYZ format read, test 1
289s 
289s   CPPTRAJ: Atom XYZ format read, test 2
289s 
289s   CPPTRAJ: Atom XYZ format read, test 3
289s 
289s   CPPTRAJ: Atom XYZ format read, test 4
289s 
289s   CPPTRAJ: Atom XYZ format read, test 5
289s 
289s   CPPTRAJ: Atom XYZ format read, test 6
289s 
289s All 6 comparisons passed.
289s 
289s ********************************************************************************
289s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Hausdorff
289s 
289s   CPPTRAJ: Simple Hausdorff distance test.
289s 
289s   CPPTRAJ: Hausdorff distance of 2D rms output test.
290s 
290s   CPPTRAJ: Hausdorff distance of 2D rms output test.
290s 
290s All 3 comparisons passed.
290s 
290s ********************************************************************************
290s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_CatCrd
290s 
290s   CPPTRAJ: Concatenate COORDS data set test
290s 
290s All 1 comparisons passed.
290s 
290s ********************************************************************************
290s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_XtalSymm
290s 
290s   CPPTRAJ: XtalSymm Reference
290s 
290s   CPPTRAJ: XtalSymm Reimaging by Atom
292s 
292s   CPPTRAJ: XtalSymm Reimaging by Molecule
293s 
293s All 3 comparisons passed.
293s 
293s ********************************************************************************
293s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Time
293s 
293s   CPPTRAJ: Add time to restart test
293s 
293s   CPPTRAJ: Remove time from restart test
293s 
293s   CPPTRAJ: Add time to trajectory test
293s 
293s   CPPTRAJ: Modify time info test.
293s 
293s All 4 comparisons passed.
293s 
293s ********************************************************************************
293s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_SplitCoords
293s 
293s   CPPTRAJ: SplitCoords test
293s 
293s All 1 comparisons passed.
293s 
293s ********************************************************************************
293s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_DihedralRMS
293s 
293s   CPPTRAJ: Dihedral RMSD tests (first, reference, reference traj.)
293s 
293s   CPPTRAJ: Dihedral RMSD test (to previous)
293s 
293s   CPPTRAJ: Dihedral RMS fluctuation test.
293s 
293s All 5 comparisons passed.
293s 
293s ********************************************************************************
293s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Slope
293s 
293s   CPPTRAJ: Finite difference test.
293s 
293s All 1 comparisons passed.
293s 
293s ********************************************************************************
293s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Diagmatrix
293s 
293s   CPPTRAJ: MW covariance matrix thermo analysis test
293s 
293s All 1 comparisons passed.
293s 
293s ********************************************************************************
293s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Emin
293s 
293s   CPPTRAJ: Basic energy minimization test.
293s 
293s   CPPTRAJ: Energy minimization with angle term test.
293s 
293s   CPPTRAJ: Energy minimization with dihedral and 1-4 terms test.
294s 
294s   CPPTRAJ: Energy minimization with nonbond term test.
294s   OpenMM basic energy minimization tests requires OpenMM.
294s   Cpptraj was compiled without OpenMM support.
294s   Skipped test: OpenMM basic energy minimization tests
294s 
294s All 4 comparisons passed.
294s 1 comparisons skipped.
294s 
294s ********************************************************************************
294s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_EvalPlateau
294s 
294s   CPPTRAJ: Evalulate plateau test
294s 
294s All 2 comparisons passed.
294s 
294s ********************************************************************************
294s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Graft
294s 
294s   CPPTRAJ: Graft test
294s 
294s All 1 comparisons passed.
294s 
294s ********************************************************************************
294s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Flatten
294s 
294s   CPPTRAJ: Flatten test.
294s 
294s All 1 comparisons passed.
294s 
294s ********************************************************************************
294s TEST: /tmp/autopkgtest.jAowUr/build.orh/src/test/Test_Random
294s 
294s   CPPTRAJ: Test Marsaglia, PCG32, and Xoshiro128++ RNGs
294s 
294s   CPPTRAJ: PCG32 RNG test.
294s 
294s   CPPTRAJ: Test Stdlib RNG
294s 
294s   CPPTRAJ: Test Mersenne Twister RNG
294s 
294s All 4 comparisons passed.
294s 
294s make[1]: Leaving directory '/tmp/autopkgtest.jAowUr/build.orh/src/test'
294s lrwxrwxrwx 1 ubuntu ubuntu 16 Mar 16 23:11 ../bin/cpptraj -> /usr/bin/cpptraj
294s ===================== TEST SUMMARY ======================
294s   833 out of 855 comparisons OK (15 failed, 0 warnings, 7 skipped).
294s   469 out of 475 program executions completed.
294s   165 out of 173 tests completed with no issues.
294s   2 tests skipped.
294s =========================================================
294s make: Leaving directory '/tmp/autopkgtest.jAowUr/build.orh/src/test'
294s make: *** [Makefile:662: summary] Error 21
294s autopkgtest [23:11:44]: test command1: -----------------------]
295s autopkgtest [23:11:45]: test command1:  - - - - - - - - - - results - - - - - - - - - -
295s command1             FAIL non-zero exit status 2
295s autopkgtest [23:11:45]: test command1:  - - - - - - - - - - stderr - - - - - - - - - -
295s Error: Mode 33554432; currently only mode 2 for CCP4 files is supported.
295s Error: reading datafile fav8.guv.O.1.ccp4
295s Error: Could not read data file 'fav8.guv.O.1.ccp4'.
295s 	1 errors encountered reading input.
295s Error: Error(s) occurred during execution.
295s Error:  cpptraj exited with status 1
295s Error: # atoms in TRX file (0) does not match # atoms in parm nvt.protein.mol2 (1960)
295s Error: Could not set up 'nvt.2frame.trr' for reading.
295s Error: Could not set up input trajectory 'nvt.2frame.trr'.
295s 	1 errors encountered reading input.
295s Error: Error(s) occurred during execution.
295s Error:  cpptraj exited with status 1
295s Error: # atoms in TRX file (0) does not match # atoms in parm nvt.protein.mol2 (1960)
295s Error: Could not set up 'nvt.2frame.trr' for reading.
295s Error: Could not set up input trajectory 'nvt.2frame.trr'.
295s 	1 errors encountered reading input.
295s Error: Error(s) occurred during execution.
295s Error:  cpptraj exited with status 1
295s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827)
295s Error: Could not set up 'mop.trr' for reading.
295s Error: Could not set up input trajectory 'mop.trr'.
295s 	1 errors encountered reading input.
295s Error: Error(s) occurred during execution.
295s Error:  cpptraj exited with status 1
295s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827)
295s Error: Could not set up 'mop.trr' for reading.
295s Error: Could not set up input trajectory 'mop.trr'.
295s 	1 errors encountered reading input.
295s Error: Error(s) occurred during execution.
295s Error:  cpptraj exited with status 1
295s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827)
295s Error: Could not set up 'mop.trr' for reading.
295s Error: Could not set up input trajectory 'mop.trr'.
295s 	1 errors encountered reading input.
295s Error: Error(s) occurred during execution.
295s Error:  cpptraj exited with status 1
295s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
295s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
295s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
295s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
295s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
295s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
295s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
295s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
295s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
295s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
295s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370
295s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277
295s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445
295s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445
295s make: *** [Makefile:662: summary] Error 21
295s autopkgtest [23:11:45]: @@@@@@@@@@@@@@@@@@@@ summary
295s command1             FAIL non-zero exit status 2
316s Creating nova instance adt-noble-s390x-cpptraj-20240316-230650-juju-7f2275-prod-proposed-migration-environment-3 from image adt/ubuntu-noble-s390x-server-20240315.img (UUID 72478735-497c-4832-870c-30bdd7312d7f)...