0s autopkgtest [11:48:51]: starting date and time: 2024-03-23 11:48:51+0000 0s autopkgtest [11:48:51]: git checkout: 4a1cd702 l/adt_testbed: don't blame the testbed for unsolvable build deps 0s autopkgtest [11:48:51]: host juju-7f2275-prod-proposed-migration-environment-3; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work._zrov4a5/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:readline,src:asymptote --apt-upgrade cpptraj --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 '--env=ADT_TEST_TRIGGERS=readline/8.2-4 asymptote/2.87+ds-1build1' -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-3@bos02-s390x-16.secgroup --name adt-noble-s390x-cpptraj-20240323-114851-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/ 86s autopkgtest [11:50:17]: testbed dpkg architecture: s390x 86s autopkgtest [11:50:17]: testbed apt version: 2.7.12 86s autopkgtest [11:50:17]: @@@@@@@@@@@@@@@@@@@@ test bed setup 87s Get:1 http://ftpmaster.internal/ubuntu noble-proposed InRelease [117 kB] 87s Get:2 http://ftpmaster.internal/ubuntu noble-proposed/restricted Sources [6540 B] 88s Get:3 http://ftpmaster.internal/ubuntu noble-proposed/universe Sources [3975 kB] 88s Get:4 http://ftpmaster.internal/ubuntu noble-proposed/main Sources [494 kB] 88s Get:5 http://ftpmaster.internal/ubuntu noble-proposed/multiverse Sources [56.9 kB] 88s Get:6 http://ftpmaster.internal/ubuntu noble-proposed/main s390x Packages [651 kB] 88s Get:7 http://ftpmaster.internal/ubuntu noble-proposed/main s390x c-n-f Metadata [3032 B] 88s Get:8 http://ftpmaster.internal/ubuntu noble-proposed/restricted s390x Packages [1372 B] 88s Get:9 http://ftpmaster.internal/ubuntu noble-proposed/restricted s390x c-n-f Metadata [116 B] 88s Get:10 http://ftpmaster.internal/ubuntu noble-proposed/universe s390x Packages [4142 kB] 88s Get:11 http://ftpmaster.internal/ubuntu noble-proposed/universe s390x c-n-f Metadata [7292 B] 88s Get:12 http://ftpmaster.internal/ubuntu noble-proposed/multiverse s390x Packages [46.8 kB] 88s Get:13 http://ftpmaster.internal/ubuntu noble-proposed/multiverse s390x c-n-f Metadata [116 B] 90s Fetched 9502 kB in 3s (3770 kB/s) 91s Reading package lists... 93s Reading package lists... 93s Building dependency tree... 93s Reading state information... 94s Calculating upgrade... 94s The following packages will be upgraded: 94s readline-common 94s 1 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 94s Need to get 56.4 kB of archives. 94s After this operation, 0 B of additional disk space will be used. 94s Get:1 http://ftpmaster.internal/ubuntu noble-proposed/main s390x readline-common all 8.2-4 [56.4 kB] 94s Fetched 56.4 kB in 0s (208 kB/s) 94s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 52170 files and directories currently installed.) 94s Preparing to unpack .../readline-common_8.2-4_all.deb ... 94s Unpacking readline-common (8.2-4) over (8.2-3) ... 94s Setting up readline-common (8.2-4) ... 94s Processing triggers for install-info (7.1-3) ... 94s Processing triggers for man-db (2.12.0-3) ... 95s Reading package lists... 95s Building dependency tree... 95s Reading state information... 95s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 95s Unknown architecture, assuming PC-style ttyS0 95s sh: Attempting to set up Debian/Ubuntu apt sources automatically 95s sh: Distribution appears to be Ubuntu 96s Reading package lists... 96s Building dependency tree... 96s Reading state information... 97s eatmydata is already the newest version (131-1). 97s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 97s Reading package lists... 97s Building dependency tree... 97s Reading state information... 97s dbus is already the newest version (1.14.10-4ubuntu1). 97s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 97s Reading package lists... 97s Building dependency tree... 97s Reading state information... 97s rng-tools-debian is already the newest version (2.4). 97s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 97s Reading package lists... 97s Building dependency tree... 97s Reading state information... 98s The following packages will be REMOVED: 98s cloud-init* python3-configobj* python3-debconf* 98s 0 upgraded, 0 newly installed, 3 to remove and 0 not upgraded. 98s After this operation, 3256 kB disk space will be freed. 98s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 52170 files and directories currently installed.) 98s Removing cloud-init (24.1.2-0ubuntu1) ... 98s Removing python3-configobj (5.0.8-3) ... 98s Removing python3-debconf (1.5.86) ... 98s Processing triggers for man-db (2.12.0-3) ... 99s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 51781 files and directories currently installed.) 99s Purging configuration files for cloud-init (24.1.2-0ubuntu1) ... 99s dpkg: warning: while removing cloud-init, directory '/etc/cloud/cloud.cfg.d' not empty so not removed 99s Processing triggers for rsyslog (8.2312.0-3ubuntu3) ... 99s invoke-rc.d: policy-rc.d denied execution of try-restart. 100s Reading package lists... 100s Building dependency tree... 100s Reading state information... 100s linux-generic is already the newest version (6.8.0-11.11+1). 100s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 100s Hit:1 http://ftpmaster.internal/ubuntu noble InRelease 100s Hit:2 http://ftpmaster.internal/ubuntu noble-updates InRelease 100s Hit:3 http://ftpmaster.internal/ubuntu noble-security InRelease 102s Reading package lists... 102s Reading package lists... 102s Building dependency tree... 102s Reading state information... 102s Calculating upgrade... 103s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 103s Reading package lists... 103s Building dependency tree... 103s Reading state information... 103s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 103s autopkgtest [11:50:34]: rebooting testbed after setup commands that affected boot 123s autopkgtest [11:50:54]: testbed running kernel: Linux 6.8.0-11-generic #11-Ubuntu SMP Tue Feb 13 23:45:46 UTC 2024 125s autopkgtest [11:50:56]: @@@@@@@@@@@@@@@@@@@@ apt-source cpptraj 128s Get:1 http://ftpmaster.internal/ubuntu noble/universe cpptraj 5.1.0+dfsg-3build1 (dsc) [2160 B] 128s Get:2 http://ftpmaster.internal/ubuntu noble/universe cpptraj 5.1.0+dfsg-3build1 (tar) [28.4 MB] 128s Get:3 http://ftpmaster.internal/ubuntu noble/universe cpptraj 5.1.0+dfsg-3build1 (diff) [6064 B] 128s gpgv: Signature made Tue Jun 27 18:04:29 2023 UTC 128s gpgv: using RSA key 4D0BE12F0E4776D8AACE9696E66C775AEBFE6C7D 128s gpgv: Can't check signature: No public key 128s dpkg-source: warning: cannot verify inline signature for ./cpptraj_5.1.0+dfsg-3build1.dsc: no acceptable signature found 132s autopkgtest [11:51:03]: testing package cpptraj version 5.1.0+dfsg-3build1 132s autopkgtest [11:51:03]: build not needed 139s autopkgtest [11:51:10]: test command1: preparing testbed 146s Reading package lists... 146s Building dependency tree... 146s Reading state information... 146s Starting pkgProblemResolver with broken count: 0 146s Starting 2 pkgProblemResolver with broken count: 0 146s Done 146s The following additional packages will be installed: 146s cpptraj libaec0 libarpack2 libblas3 libfftw3-double3 libgfortran5 libgomp1 146s libhdf5-103-1 libhdf5-hl-100 liblapack3 libnetcdf19 libsz2 netcdf-bin 146s Suggested packages: 146s libfftw3-bin libfftw3-dev 146s The following NEW packages will be installed: 146s autopkgtest-satdep cpptraj libaec0 libarpack2 libblas3 libfftw3-double3 146s libgfortran5 libgomp1 libhdf5-103-1 libhdf5-hl-100 liblapack3 libnetcdf19 146s libsz2 netcdf-bin 146s 0 upgraded, 14 newly installed, 0 to remove and 0 not upgraded. 146s Need to get 8382 kB/8383 kB of archives. 146s After this operation, 24.2 MB of additional disk space will be used. 146s Get:1 /tmp/autopkgtest.3dWfzV/1-autopkgtest-satdep.deb autopkgtest-satdep s390x 0 [720 B] 146s Get:2 http://ftpmaster.internal/ubuntu noble/main s390x libblas3 s390x 3.12.0-3 [245 kB] 147s Get:3 http://ftpmaster.internal/ubuntu noble/main s390x libgfortran5 s390x 14-20240303-1ubuntu1 [598 kB] 147s Get:4 http://ftpmaster.internal/ubuntu noble/main s390x liblapack3 s390x 3.12.0-3 [2979 kB] 147s Get:5 http://ftpmaster.internal/ubuntu noble/universe s390x libarpack2 s390x 3.9.1-1 [111 kB] 147s Get:6 http://ftpmaster.internal/ubuntu noble/main s390x libgomp1 s390x 14-20240303-1ubuntu1 [151 kB] 147s Get:7 http://ftpmaster.internal/ubuntu noble/main s390x libfftw3-double3 s390x 3.3.10-1ubuntu1 [465 kB] 147s Get:8 http://ftpmaster.internal/ubuntu noble/universe s390x libaec0 s390x 1.1.2-1 [25.7 kB] 147s Get:9 http://ftpmaster.internal/ubuntu noble/universe s390x libsz2 s390x 1.1.2-1 [5346 B] 147s Get:10 http://ftpmaster.internal/ubuntu noble/universe s390x libhdf5-103-1 s390x 1.10.10+repack-3ubuntu1 [1425 kB] 147s Get:11 http://ftpmaster.internal/ubuntu noble/universe s390x libhdf5-hl-100 s390x 1.10.10+repack-3ubuntu1 [57.5 kB] 147s Get:12 http://ftpmaster.internal/ubuntu noble/universe s390x libnetcdf19 s390x 1:4.9.2-3ubuntu1 [506 kB] 147s Get:13 http://ftpmaster.internal/ubuntu noble/universe s390x cpptraj s390x 5.1.0+dfsg-3build1 [1595 kB] 147s Get:14 http://ftpmaster.internal/ubuntu noble/universe s390x netcdf-bin s390x 1:4.9.2-3ubuntu1 [220 kB] 147s Fetched 8382 kB in 1s (9858 kB/s) 147s Selecting previously unselected package libblas3:s390x. 147s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 51726 files and directories currently installed.) 147s Preparing to unpack .../00-libblas3_3.12.0-3_s390x.deb ... 147s Unpacking libblas3:s390x (3.12.0-3) ... 147s Selecting previously unselected package libgfortran5:s390x. 147s Preparing to unpack .../01-libgfortran5_14-20240303-1ubuntu1_s390x.deb ... 147s Unpacking libgfortran5:s390x (14-20240303-1ubuntu1) ... 147s Selecting previously unselected package liblapack3:s390x. 147s Preparing to unpack .../02-liblapack3_3.12.0-3_s390x.deb ... 147s Unpacking liblapack3:s390x (3.12.0-3) ... 147s Selecting previously unselected package libarpack2:s390x. 148s Preparing to unpack .../03-libarpack2_3.9.1-1_s390x.deb ... 148s Unpacking libarpack2:s390x (3.9.1-1) ... 148s Selecting previously unselected package libgomp1:s390x. 148s Preparing to unpack .../04-libgomp1_14-20240303-1ubuntu1_s390x.deb ... 148s Unpacking libgomp1:s390x (14-20240303-1ubuntu1) ... 148s Selecting previously unselected package libfftw3-double3:s390x. 148s Preparing to unpack .../05-libfftw3-double3_3.3.10-1ubuntu1_s390x.deb ... 148s Unpacking libfftw3-double3:s390x (3.3.10-1ubuntu1) ... 148s Selecting previously unselected package libaec0:s390x. 148s Preparing to unpack .../06-libaec0_1.1.2-1_s390x.deb ... 148s Unpacking libaec0:s390x (1.1.2-1) ... 148s Selecting previously unselected package libsz2:s390x. 148s Preparing to unpack .../07-libsz2_1.1.2-1_s390x.deb ... 148s Unpacking libsz2:s390x (1.1.2-1) ... 148s Selecting previously unselected package libhdf5-103-1:s390x. 148s Preparing to unpack .../08-libhdf5-103-1_1.10.10+repack-3ubuntu1_s390x.deb ... 148s Unpacking libhdf5-103-1:s390x (1.10.10+repack-3ubuntu1) ... 148s Selecting previously unselected package libhdf5-hl-100:s390x. 148s Preparing to unpack .../09-libhdf5-hl-100_1.10.10+repack-3ubuntu1_s390x.deb ... 148s Unpacking libhdf5-hl-100:s390x (1.10.10+repack-3ubuntu1) ... 148s Selecting previously unselected package libnetcdf19:s390x. 148s Preparing to unpack .../10-libnetcdf19_1%3a4.9.2-3ubuntu1_s390x.deb ... 148s Unpacking libnetcdf19:s390x (1:4.9.2-3ubuntu1) ... 148s Selecting previously unselected package cpptraj. 148s Preparing to unpack .../11-cpptraj_5.1.0+dfsg-3build1_s390x.deb ... 148s Unpacking cpptraj (5.1.0+dfsg-3build1) ... 148s Selecting previously unselected package netcdf-bin. 148s Preparing to unpack .../12-netcdf-bin_1%3a4.9.2-3ubuntu1_s390x.deb ... 148s Unpacking netcdf-bin (1:4.9.2-3ubuntu1) ... 148s Selecting previously unselected package autopkgtest-satdep. 148s Preparing to unpack .../13-1-autopkgtest-satdep.deb ... 148s Unpacking autopkgtest-satdep (0) ... 148s Setting up libgomp1:s390x (14-20240303-1ubuntu1) ... 148s Setting up libaec0:s390x (1.1.2-1) ... 148s Setting up libblas3:s390x (3.12.0-3) ... 148s 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 148s Setting up libfftw3-double3:s390x (3.3.10-1ubuntu1) ... 148s Setting up libgfortran5:s390x (14-20240303-1ubuntu1) ... 148s Setting up libsz2:s390x (1.1.2-1) ... 148s Setting up liblapack3:s390x (3.12.0-3) ... 148s 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 148s Setting up libarpack2:s390x (3.9.1-1) ... 148s Setting up libhdf5-103-1:s390x (1.10.10+repack-3ubuntu1) ... 148s Setting up libhdf5-hl-100:s390x (1.10.10+repack-3ubuntu1) ... 148s Setting up libnetcdf19:s390x (1:4.9.2-3ubuntu1) ... 148s Setting up cpptraj (5.1.0+dfsg-3build1) ... 148s Setting up netcdf-bin (1:4.9.2-3ubuntu1) ... 148s Setting up autopkgtest-satdep (0) ... 148s Processing triggers for man-db (2.12.0-3) ... 148s Processing triggers for libc-bin (2.39-0ubuntu6) ... 150s (Reading database ... 51813 files and directories currently installed.) 150s Removing autopkgtest-satdep (0) ... 151s autopkgtest [11:51:22]: test command1: mkdir bin && ln -s /usr/bin/cpptraj bin && make -C test test.complete summary 151s autopkgtest [11:51:22]: test command1: [----------------------- 151s make: Entering directory '/tmp/autopkgtest.3dWfzV/build.Pql/src/test' 151s lrwxrwxrwx 1 ubuntu ubuntu 16 Mar 23 11:51 ../bin/cpptraj -> /usr/bin/cpptraj 151s make[1]: Entering directory '/tmp/autopkgtest.3dWfzV/build.Pql/src/test' 151s ******************************************************************************** 151s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_General 151s 151s CPPTRAJ: General tests 151s 151s All 15 comparisons passed. 151s 151s ******************************************************************************** 151s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Parallel 151s 151s CPPTRAJ: Parallel tests. 151s 151s CPPTRAJ: Parallel test with trajectory offset 151s 151s All 7 comparisons passed. 151s 151s ******************************************************************************** 151s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Strip 151s 151s CPPTRAJ: One frame strip command test 151s 151s CPPTRAJ: Unstrip (Lig/Rec/Complex) command test 152s 152s CPPTRAJ: Multi frame strip command test. 152s 152s CPPTRAJ: Strip topology with PDB info 152s 152s All 11 comparisons passed. 152s 152s ******************************************************************************** 152s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_BrokenTraj 152s 152s CPPTRAJ: Broken Traj: Running good trajectory. 152s 152s CPPTRAJ: Broken Traj: Running broken trajectory. 152s 152s CPPTRAJ: Compressed broken trajectory test 152s 152s All 2 comparisons passed. 152s 152s ******************************************************************************** 152s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_TrajinOffset 152s 152s CPPTRAJ: Normal trajectory read with offsets. 152s 152s CPPTRAJ: Gzipped trajectory read with offsets 152s 152s CPPTRAJ: Bzip2ed trajectory read with offsets 152s 152s CPPTRAJ: Start argument offset 152s 152s All 4 comparisons passed. 152s 152s ******************************************************************************** 152s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_RemdTraj 152s 152s CPPTRAJ: CRD Replica Trajectory Run with offset 152s 152s CPPTRAJ: CRD Replica Trajectory Run 152s 152s CPPTRAJ: NetCDF Replica Trajectory Run test 152s 152s CPPTRAJ: CRD Replica Trajectory Run: Generating 300.00 traj 152s 152s CPPTRAJ: CRD Replica Trajectory Run: Generating 384.30 traj 152s 152s CPPTRAJ: CRD Replica Trajectory Run: Generating 492.20 traj 152s 152s CPPTRAJ: CRD Replica Trajectory Run: Generating 630.50 traj 152s 152s CPPTRAJ: CRD Replica Trajectory Run with remdout 152s 152s All 8 comparisons passed. 152s 152s ******************************************************************************** 152s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_trajout_framerange 152s 152s CPPTRAJ: Trajout Frame Range [Amber Restart] 152s 152s CPPTRAJ: Trajout Frame Range [Amber Coordinates] 152s 152s All 6 comparisons passed. 152s 152s ******************************************************************************** 152s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_PerResRMSD 152s 152s CPPTRAJ: Per-Residue RMSD Test. 152s 152s CPPTRAJ: Per-Residue RMSD Test with averaging 152s 152s CPPTRAJ: Per-Residue RMSD Test with residue centering. 152s 152s All 3 comparisons passed. 152s 152s ******************************************************************************** 152s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_DSSP 152s 152s CPPTRAJ: Secstruct (DSSP) command test. 152s 152s CPPTRAJ: Secstruct (DSSP) command test, Ptraj Format. 152s 152s CPPTRAJ: Secstruct (DSSP) command with changing number of residues. 152s 152s CPPTRAJ: Secstruct (DSSP): SS assign output test 152s 152s CPPTRAJ: FtuFabI Assignment test 152s 152s All 10 comparisons passed. 152s 152s ******************************************************************************** 152s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Center 152s 152s CPPTRAJ: Center command test. 152s 152s CPPTRAJ: Center origin command test. 152s 152s CPPTRAJ: Center origin mass command test. 152s 152s CPPTRAJ: Center reference command test. 152s 152s CPPTRAJ: Center point test. 152s 152s All 5 comparisons passed. 152s 152s ******************************************************************************** 152s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Hbond 152s 152s CPPTRAJ: Solute Hbond test 152s 152s CPPTRAJ: Solute Hbond test with disk caching 152s 152s CPPTRAJ: Solute-solvent hbond test 152s 152s CPPTRAJ: Hbond, no intramolecular hydrogen bonds test 152s 152s CPPTRAJ: Hbond, specified solute masks 153s 153s CPPTRAJ: Hbond, no angle cutoff test 153s 153s CPPTRAJ: Hbond, Bridge nointramol test 153s 153s CPPTRAJ: Hbond with imaging 153s 153s CPPTRAJ: Hbond, orthogonal imaging 153s 153s All 23 comparisons passed. 153s 153s ******************************************************************************** 153s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_NCrestart 153s 153s CPPTRAJ: NetCDF Restart Test - TXT->NetCDF 153s 153s CPPTRAJ: NetCDF Restart Test - NetCDF->TXT 153s 153s CPPTRAJ: NetCDF Restart w/ box Test - Txt->NetCDF 153s 153s CPPTRAJ: NetCDF Restart w/ box Test - NetCDF->Txt 153s 153s All 2 comparisons passed. 153s 153s ******************************************************************************** 153s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Image 153s 153s CPPTRAJ: Orthorhombic imaged distance test. 153s 153s CPPTRAJ: Non-orthorhombic imaged distance test. 153s 153s CPPTRAJ: Orthorhombic coordinate imaging test 153s 153s CPPTRAJ: Nonorthorhombic coordinate imaging test 153s 153s CPPTRAJ: Nonorthorhombic coordinate imaging test with familiar 153s 153s CPPTRAJ: Nonorthorhombic coordinate imaging test with familiar and COM 153s 153s All 6 comparisons passed. 153s 153s ******************************************************************************** 153s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Surf 153s 153s CPPTRAJ: Surface calculation test 153s 153s CPPTRAJ: Partial Surface calculation test 154s 154s CPPTRAJ: LCPO test with GAFF atom types 154s 154s All 3 comparisons passed. 154s 154s ******************************************************************************** 154s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Radgyr 154s 154s CPPTRAJ: Radius of gyration command test 154s 154s All 2 comparisons passed. 154s 154s ******************************************************************************** 154s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Mask 154s 154s CPPTRAJ: Mask single frame test 154s 154s CPPTRAJ: Mask longer command test. 154s 154s All 5 comparisons passed. 154s 154s ******************************************************************************** 154s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Jcoupling 154s 154s CPPTRAJ: J-Coupling single frame test 154s J-Coupling extended test requires CPPTRAJHOME or AMBERHOME to be set. 154s Skipped test: J-Coupling extended test 154s 154s All 1 comparisons passed. 154s 1 comparisons skipped. 154s 154s ******************************************************************************** 154s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Diffusion 154s 154s CPPTRAJ: Diffusion test, no imaging. 154s 154s CPPTRAJ: Diffusion test, old syntax. 154s 154s CPPTRAJ: Diffusion test, new syntax. 154s 154s CPPTRAJ: Diffusion test, nonorthogonal box 154s 154s CPPTRAJ: STFC Diffusion Test 154s 154s CPPTRAJ: STFC Diffusion Test with individual distances 154s 154s CPPTRAJ: STFC Diffusion Test with COM 154s 154s CPPTRAJ: STFC Diffusion Test with second mask 154s 154s All 16 comparisons passed. 154s 154s ******************************************************************************** 154s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Outtraj 154s 154s CPPTRAJ: RMSD Test with outtraj. 154s 154s CPPTRAJ: Outtraj Test with maxmin. 154s 154s All 4 comparisons passed. 154s 154s ******************************************************************************** 154s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Charmm 154s 154s CPPTRAJ: CHARMM PSF/DCD test 154s 154s CPPTRAJ: CHARMM DCD Write, step 1. 154s 154s CPPTRAJ: CHARMM DCD Write, step 2. 154s 154s CPPTRAJ: CHAMBER topology read/strip test. 155s 155s CPPTRAJ: Read CHARMM restart 155s 155s CPPTRAJ: CHARMM PSF write 155s 155s CPPTRAJ: CHARMM COORdinates test 155s 155s All 6 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CharmmParams 155s 155s CPPTRAJ: Test updating topology with Charmm parameters (single residue) 155s 155s All 2 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Rotdif 155s 155s CPPTRAJ: Rotational diffusion calculation test 155s 155s All 4 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_NetcdfTraj 155s 155s CPPTRAJ: Convert mdcrd -> NetCDF 155s 155s CPPTRAJ: Convert NetCDF -> mdcrd 155s 155s All 1 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Runavg 155s 155s CPPTRAJ: Coordinate Running Average test. 155s 155s CPPTRAJ: Coordinate Running Average Traj Write 155s 155s All 2 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_RMSD 155s 155s CPPTRAJ: Basic RMSD tests 155s 155s CPPTRAJ: RMS coordinate rotation/rotation matrices test 155s 155s CPPTRAJ: RMS fit with no coordinates modification test. 155s 155s CPPTRAJ: RMS fit to previous test 155s 155s CPPTRAJ: RMS: imaging after unit cell rotation 155s 155s All 12 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_2DRMS 155s 155s CPPTRAJ: 2D RMSD Test. 155s 155s CPPTRAJ: 2D RMSD Test, mass-weighted. 155s 155s CPPTRAJ: 2D RMSD Test with reference trajectory 155s 155s CPPTRAJ: 2D DME Test. 155s 155s CPPTRAJ: 2D RMSD with reference mask test. 155s 155s CPPTRAJ: 2D RMSD test, no fitting. 155s 155s All 6 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Mol2 155s 155s CPPTRAJ: Mol2 Parm/Traj Read/Write Test. 155s 155s CPPTRAJ: PDB => Mol2 155s 155s CPPTRAJ: Amber Top/Rst => Mol2 155s Amber Top/Rst => Mol2, SYBYL atom types requires CPPTRAJHOME or AMBERHOME to be set. 155s Skipped test: Amber Top/Rst => Mol2, SYBYL atom types 155s 155s All 4 comparisons passed. 155s 1 comparisons skipped. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_NAstruct 155s 155s CPPTRAJ: NAstruct command test. 155s 155s CPPTRAJ: NAstruct command test, single strand 155s 155s All 11 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_NAstruct_8OG 155s 155s CPPTRAJ: NA test (8OG) 155s 155s All 3 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Average 155s 155s CPPTRAJ: Average Test. 155s 155s All 2 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Pucker 155s 155s CPPTRAJ: Pucker command test 155s 155s CPPTRAJ: 5-member ring pucker, Cremer & Pople Furanoid test 155s 155s CPPTRAJ: 6-member ring pucker, Cremer & Pople Pyranoid test. 155s 155s All 3 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_AtomMap 155s 155s CPPTRAJ: AtomMap Test 155s 155s CPPTRAJ: AtomMap with 'rmsfit' 155s 155s CPPTRAJ: Atom map charmm->amber atom order 155s 155s CPPTRAJ: Atom map charmm->amber atom order, by residue 155s 155s All 9 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Datafile 155s 155s CPPTRAJ: Data file output precision test 155s 155s CPPTRAJ: Standard -> Grace Data 155s 155s CPPTRAJ: Grace -> Standard Data 155s 155s CPPTRAJ: X column format/precision test. 155s 155s CPPTRAJ: Data file group by name test 155s 155s CPPTRAJ: Data file group by aspect test 155s 155s All 6 comparisons passed. 155s 155s ******************************************************************************** 155s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Radial 155s 155s CPPTRAJ: Radial test, non-orthogonal imaging 156s 156s CPPTRAJ: Radial test, orthogonal and no imaging 156s 156s All 9 comparisons passed. 156s 156s ******************************************************************************** 156s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Hist 156s 156s CPPTRAJ: 1D/2D Histogram Analysis test 156s 156s CPPTRAJ: 3D histogram test. 156s 156s All 7 comparisons passed. 156s 156s ******************************************************************************** 156s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Closest 156s 156s CPPTRAJ: Closest command test using first solvent atom. 156s 156s CPPTRAJ: Closest command test using all solvent atoms. 156s 156s CPPTRAJ: Closest command test, using mask center 156s 156s CPPTRAJ: Closest command test, using mask center and solvent mask 156s 156s CPPTRAJ: Closest command test, solvent mask, water oxygen only 156s 156s All 8 comparisons passed. 156s 156s ******************************************************************************** 156s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_DRMSD 156s 156s CPPTRAJ: Distance RMSD test 156s 156s All 1 comparisons passed. 156s 156s ******************************************************************************** 156s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cluster 156s 156s CPPTRAJ: Cluster command test, in-memory pairwise distances. 156s 156s CPPTRAJ: Cluster command test, read pairwise distances. 156s 156s CPPTRAJ: Cluster command test, read NetCDF pairwise distances. 157s 157s CPPTRAJ: Cluster command test, write ASCII pairwise distances. 157s 157s CPPTRAJ: Cluster command test, read ASCII pairwise distances. 157s 157s All 9 comparisons passed. 157s 157s ******************************************************************************** 157s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cluster_Sieve 157s 157s CPPTRAJ: Cluster, nosieve 157s 157s CPPTRAJ: Cluster, sieve5 157s 157s CPPTRAJ: Cluster, nosieve savepairdist 157s 157s CPPTRAJ: Cluster, nosieve loadpairdist 157s 157s CPPTRAJ: Cluster, sieve5 savepairdist 157s 157s CPPTRAJ: Cluster, sieve5 loadpairdist 157s 157s CPPTRAJ: Cluster, nosieve pairwisecache none 157s 157s CPPTRAJ: Cluster, sieve5 pairwisecache none 157s 157s CPPTRAJ: Cluster, random 157s 157s All 28 comparisons passed. 157s 157s ******************************************************************************** 157s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cluster_RandomSieve 157s 157s CPPTRAJ: Cluster test with random sieve (Save Pairwise Distances). 157s 157s CPPTRAJ: Cluster test with random sieve (Load Pairwise Distances). 157s 157s All 4 comparisons passed. 157s 157s ******************************************************************************** 157s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cluster_DataSet 157s 157s CPPTRAJ: Clustering, One DataSet 157s 157s CPPTRAJ: Clustering, Two DataSets 157s 157s CPPTRAJ: Clustering, dihedral DataSet 157s 157s CPPTRAJ: Clustering, two dihedral DataSets 157s 157s CPPTRAJ: Clustering, dihedral DataSet, K-means 157s 157s CPPTRAJ: Clustering, two dihedral DataSets, K-means 157s 157s All 8 comparisons passed. 157s 157s ******************************************************************************** 157s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cluster_DBSCAN 157s 157s CPPTRAJ: DBSCAN test 157s 157s CPPTRAJ: DBSCAN automatic parameter determination test. 157s 157s CPPTRAJ: DBSCAN kdist map test 157s 157s CPPTRAJ: DBSCAN with sieve 157s 157s All 4 comparisons passed. 157s 157s ******************************************************************************** 157s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cluster_Kmeans 157s 157s CPPTRAJ: Cpptraj Kmeans 157s 157s CPPTRAJ: Cpptraj Kmeans random 157s 157s All 6 comparisons passed. 157s 157s ******************************************************************************** 157s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cluster_SymmRMSD 157s 157s CPPTRAJ: Clustering with symmetry-corrected RMSD metric (also 2D SRMSD) 158s 158s All 5 comparisons passed. 158s 158s ******************************************************************************** 158s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cluster_TrajWrites 158s 158s CPPTRAJ: Cluster command test, coordinate writes. 158s 158s CPPTRAJ: Cluster command test, coordinate writes using info file. 158s 158s All 8 comparisons passed. 158s 158s ******************************************************************************** 158s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cluster_Dpeaks 158s 158s CPPTRAJ: Density peaks clustering test 158s 158s All 3 comparisons passed. 158s 158s ******************************************************************************** 158s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cluster_Nreps 158s 158s CPPTRAJ: Clustering with specified # reps 158s 158s All 2 comparisons passed. 158s 158s ******************************************************************************** 158s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_IRED 158s 158s CPPTRAJ: IRED vector/matrix test 158s 158s 158s ******************************************************************************** 158s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_RandomizeIons 158s 158s CPPTRAJ: randomizeions test (original algorithm) 159s 159s CPPTRAJ: Randomize (around, overlap) 159s 159s CPPTRAJ: Randomize (around) 159s 159s CPPTRAJ: Randomize (overlap) 159s 159s CPPTRAJ: Randomize (no restrictions) 159s 159s All 5 comparisons passed. 159s 159s ******************************************************************************** 159s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Molsurf 159s 159s CPPTRAJ: Molsurf test 160s 160s All 1 comparisons passed. 160s 160s ******************************************************************************** 160s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Corr 160s 160s CPPTRAJ: Correlation test 160s 160s All 2 comparisons passed. 160s 160s ******************************************************************************** 160s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CheckStructure 160s 160s CPPTRAJ: Structure Check 160s 160s CPPTRAJ: Structure Check with Around and Skip 160s 160s CPPTRAJ: Structure Check with PBC 160s 160s CPPTRAJ: Structure Check with Around 160s 160s All 8 comparisons passed. 160s 160s ******************************************************************************** 160s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_RmsAvgCorr 160s 160s CPPTRAJ: RmsAvgCorr Reference 160s 160s CPPTRAJ: RmsAvgCorr First 160s 160s All 3 comparisons passed. 160s 160s ******************************************************************************** 160s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Contacts 160s 160s CPPTRAJ: Contacts test. 160s 160s All 3 comparisons passed. 160s 160s ******************************************************************************** 160s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Principal 160s 160s CPPTRAJ: Principal Test 161s 161s All 3 comparisons passed. 161s 161s ******************************************************************************** 161s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_ClusterDihedral 161s 161s CPPTRAJ: clusterdihedral test 161s 161s All 4 comparisons passed. 161s 161s ******************************************************************************** 161s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Vector 161s 161s CPPTRAJ: Basic vector tests 161s 161s CPPTRAJ: Test vector center with magnitude 161s 161s CPPTRAJ: Momentum/velocity vector test. 161s 161s CPPTRAJ: Force vector test. 161s 161s All 14 comparisons passed. 161s 161s ******************************************************************************** 161s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Matrix 161s 161s CPPTRAJ: Matrix Tests 161s 161s CPPTRAJ: Generate matrix with trajectory start/stop/offset 161s 161s CPPTRAJ: Generate matrix with action stop/start/offset 161s 161s All 15 comparisons passed. 161s 161s ******************************************************************************** 161s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_AtomicFluct 161s 161s CPPTRAJ: Atomic fluctuations test [@C,CA,N byres bfactor]. 161s 161s CPPTRAJ: Atomic fluctuations test [:2-12 byatom]. 161s 161s CPPTRAJ: Atomic fluctuations test [bymask :3,4,5]. 161s 161s CPPTRAJ: Atomic fluctuations test [start 10 stop 30 offset 2 byres bfactor]. 161s 161s CPPTRAJ: Atomicfluct test with ADP output 161s 161s CPPTRAJ: Atomicfluct test with PDB B-factor/occupancy output. 161s 161s All 13 comparisons passed. 161s 161s ******************************************************************************** 161s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Grid 161s 161s CPPTRAJ: Dipole test 161s 161s CPPTRAJ: Grid test 161s 161s CPPTRAJ: OpenDX Grid read test 161s 161s CPPTRAJ: Grid with specified center test. 161s 161s CPPTRAJ: Grid with box center offset test. 161s 161s CPPTRAJ: Grid with mask center offset test. 161s 161s CPPTRAJ: Non-orthogonal grid test. 161s 161s CPPTRAJ: Non-orthogonal grid centered on bin center and wrapped test 161s 161s CPPTRAJ: Grid generation from 'bounds' test. 161s 161s All 13 comparisons passed. 161s 161s ******************************************************************************** 161s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Unwrap 161s 161s CPPTRAJ: Unwrap non-orthogonal test 161s 161s CPPTRAJ: Unwrap orthogonal test 161s 161s All 2 comparisons passed. 161s 161s ******************************************************************************** 161s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Project 161s 161s CPPTRAJ: Projection 161s 161s All 1 comparisons passed. 161s 161s ******************************************************************************** 161s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Analyze_Modes 161s 161s CPPTRAJ: Modes analysis, RMS fluctuations 161s 161s CPPTRAJ: Modes analysis, displacements 161s 161s CPPTRAJ: Modes analysis, dipole correlation 161s 161s CPPTRAJ: Modes analysis, pseudo trajectory creation test 161s 161s CPPTRAJ: Modes analysis, RMSIP and eigenvalue fraction test 161s 161s All 6 comparisons passed. 161s 161s ******************************************************************************** 161s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Watershell 161s 161s CPPTRAJ: Watershell Test, non-orthorhombic imaging. 162s 162s CPPTRAJ: Watershell Test, orthorhombic imaging. 163s 163s CPPTRAJ: Watershell Test, no imaging. 163s 163s All 3 comparisons passed. 163s 163s ******************************************************************************** 163s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_AnalysisRunAvg 163s 163s CPPTRAJ: Analysis Running Average 163s 163s All 2 comparisons passed. 163s 163s ******************************************************************************** 163s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Volmap 163s 163s CPPTRAJ: VMD VolMap Algorithm test 163s VMD VolMap Algorithm longer tests is a long test and long tests disabled. Use 'long' to run. 163s Skipped test: VMD VolMap Algorithm longer tests 163s 163s All 2 comparisons passed. 163s 1 comparisons skipped. 163s 163s ******************************************************************************** 163s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_SPAM 163s 163s CPPTRAJ: SPAM Test 163s 163s CPPTRAJ: SPAM Pure Solvent Test 165s 165s 1 out of 5 comparisons failed. 165s 165s ******************************************************************************** 165s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_LIE 165s 165s CPPTRAJ: LIE test 166s 166s All 1 comparisons passed. 166s 166s ******************************************************************************** 166s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Density 166s 166s CPPTRAJ: Density along axis tests 166s 166s CPPTRAJ: Multi-frame density along axis test 166s 166s CPPTRAJ: Total system density test 166s 166s All 7 comparisons passed. 166s 166s ******************************************************************************** 166s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_LipidOrder 166s 166s CPPTRAJ: Lipid Order Parameter Test. 166s 166s All 6 comparisons passed. 166s 166s ******************************************************************************** 166s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_LipidSCD 166s 166s CPPTRAJ: Basic lipid order parameter test 166s 166s CPPTRAJ: New Lipid Order Parameter Test, DOPC. 166s 166s All 4 comparisons passed. 166s 166s ******************************************************************************** 166s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_PairDist 166s 166s CPPTRAJ: PairDist Test. 166s 166s CPPTRAJ: Pairdist test, orthogonal imaging. 167s 167s CPPTRAJ: Pairdist test, nonorthogonal imaging. 167s 167s CPPTRAJ: Pairdist test, 2 masks. 167s 167s All 4 comparisons passed. 167s 167s ******************************************************************************** 167s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_ReadData 167s 167s CPPTRAJ: Read vector data test (no origins, origins) 167s 167s CPPTRAJ: Read vector data set (origins, no origins) 167s 167s CPPTRAJ: Read Amber output test 167s 167s CPPTRAJ: Read CHARMM output test 167s 167s CPPTRAJ: 3D data read/write test 167s 167s CPPTRAJ: Standard 3D data write test 167s 167s CPPTRAJ: Standard 3D data read test 167s 167s CPPTRAJ: Standard 3D data read/append test 167s 167s CPPTRAJ: Standard 3D data, sparse 167s 167s CPPTRAJ: Nonorthogonal grid standard write/read tests. 168s 168s CPPTRAJ: Read specific columns test. 168s 168s CPPTRAJ: Write non-square matrix 168s 168s CPPTRAJ: Read non-square matrix 168s 168s CPPTRAJ: Read square matrix 168s 168s All 15 comparisons passed. 168s 168s ******************************************************************************** 168s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_GIST 168s 168s CPPTRAJ: GIST water-water interaction test 169s 169s CPPTRAJ: GIST test, orthogonal cell 172s 172s CPPTRAJ: GIST test, nonorthogonal cell 177s 177s All 11 comparisons passed. 177s 177s ******************************************************************************** 177s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_GIST_Order 177s 177s CPPTRAJ: TIP3P water cluster test 177s 177s CPPTRAJ: TIP4P water cluster test 177s 177s CPPTRAJ: TIP5P water cluster test 177s 177s All 4 comparisons passed. 177s 177s ******************************************************************************** 177s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_systemVF 177s 177s CPPTRAJ: Amber NetCDF trajectory with Velocity/Force test 177s 177s All 1 comparisons passed. 177s 177s ******************************************************************************** 177s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_AtomicCorr 177s 177s CPPTRAJ: Atomic Correlation test 177s 177s All 1 comparisons passed. 177s 177s ******************************************************************************** 177s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_AutoCorr 177s 177s CPPTRAJ: AutoCorr test. 177s 177s All 1 comparisons passed. 177s 177s ******************************************************************************** 177s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Box 177s 177s CPPTRAJ: Box Test (Add box info) 177s 177s CPPTRAJ: Box test (remove box info) 177s 177s CPPTRAJ: Box test (Modify box length) 177s 177s CPPTRAJ: Box test (auto orthogonal box, no radii) 177s 177s CPPTRAJ: Box test (auto orthogonal box, VDW radii) 177s 177s All 7 comparisons passed. 177s 177s ******************************************************************************** 177s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_AtomTypeSelect 177s 177s CPPTRAJ: Selection by atom type test. 177s 177s All 1 comparisons passed. 177s 177s ******************************************************************************** 177s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_AvgRef 177s 177s CPPTRAJ: RMSD Test with averaged reference coordinates. 177s 177s All 1 comparisons passed. 177s 177s ******************************************************************************** 177s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Crank_Stat 177s 177s CPPTRAJ: Crankshaft test 177s 177s All 3 comparisons passed. 177s 177s ******************************************************************************** 177s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CreateCrd 177s 177s CPPTRAJ: COORDS data set creation and CRDFLUCT test. 178s 178s CPPTRAJ: COORDS data set creation with velocities test 178s 178s CPPTRAJ: TRAJ data set creation and CRDFLUCT test. 178s 178s CPPTRAJ: TRAJ data set creation with velocities test. 178s 178s CPPTRAJ: COORDS data set append test 178s 178s CPPTRAJ: COORDS test storing frame metadata 178s 178s CPPTRAJ: TRAJ test storing frame metadata 178s 178s All 8 comparisons passed. 178s 178s ******************************************************************************** 178s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_AutoImage 178s 178s CPPTRAJ: AutoImage test (split DNA duplex) 178s 178s CPPTRAJ: AutoImage test, use anchor mask 178s 178s All 2 comparisons passed. 178s 178s ******************************************************************************** 178s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_LoadCrd 178s 178s CPPTRAJ: LoadCrd test. 178s 178s CPPTRAJ: LoadTraj test. 178s 178s CPPTRAJ: LoadTraj from trajin test. 178s 178s CPPTRAJ: LoadCrd append from multiple files test 178s 178s All 4 comparisons passed. 178s 178s ******************************************************************************** 178s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_MultiVector 178s 178s CPPTRAJ: Multivector test 178s 178s All 1 comparisons passed. 178s 178s ******************************************************************************** 178s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Lifetime 178s 178s CPPTRAJ: Lifetime test. 178s 178s CPPTRAJ: Lifetime test with data set caching. 178s 178s CPPTRAJ: Lifetime average and cumulative average test. 178s 178s All 12 comparisons passed. 178s 178s ******************************************************************************** 178s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_FFT 178s 178s CPPTRAJ: FFT test. 178s 178s All 5 comparisons passed. 178s 178s ******************************************************************************** 178s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Timecorr 178s 178s CPPTRAJ: Timecorr test. 178s 178s All 7 comparisons passed. 178s 178s ******************************************************************************** 178s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CrossCorr 178s 178s CPPTRAJ: CrossCorr test 178s 178s All 1 comparisons passed. 178s 178s ******************************************************************************** 178s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_SymmRmsd 178s 178s CPPTRAJ: SymmRmsd 178s 178s CPPTRAJ: ASP symmetry-corrected RMSD test 178s 178s CPPTRAJ: GLU symmetry-corrected RMSD test 178s 178s CPPTRAJ: TYR symmetry-corrected RMSD test 178s 178s CPPTRAJ: Longer symmetry-corrected RMSD test. 178s 178s All 8 comparisons passed. 178s 178s ******************************************************************************** 178s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Multidihedral 178s 178s CPPTRAJ: Multidihedral test 178s 178s CPPTRAJ: Multidihedral Nucleotide CHI test 178s 178s CPPTRAJ: Multidihedral protein dihedrals test 178s 178s CPPTRAJ: Multidihedral cyclic molecule test 178s 178s All 6 comparisons passed. 178s 178s ******************************************************************************** 178s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Ensemble_MREMD 178s 178s CPPTRAJ: M-REMD sort test. 178s 178s CPPTRAJ: M-REMD actions test. 178s 178s CPPTRAJ: M-REMD ensemble outtraj test. 178s 178s CPPTRAJ: M-REMD no sort, running average test 179s 179s CPPTRAJ: M-REMD, generate RMS data 179s 179s CPPTRAJ: M-REMD, meltcurve analysis 179s 179s All 17 comparisons passed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_MakeStructure 179s 179s CPPTRAJ: Basic makestructure test 179s 179s CPPTRAJ: Makestructure test with reference. 179s 179s All 5 comparisons passed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Rotate 179s 179s CPPTRAJ: Rotation (and inverse) of coords from matrices 179s 179s CPPTRAJ: Rotate with defined axis 179s 179s All 3 comparisons passed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Integrate 179s 179s CPPTRAJ: Integration test. 179s 179s All 2 comparisons passed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_NativeContacts 179s 179s CPPTRAJ: NativeContacts test. 179s 179s CPPTRAJ: NativeContacts test, save non-native contacts, residue time series 179s 179s CPPTRAJ: NativeContacts test, orthorhombic imaging. 179s 179s All 17 comparisons passed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CheckChiral 179s 179s CPPTRAJ: Check chirality test 179s 179s All 1 comparisons passed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Energy 179s 179s CPPTRAJ: Simple energy tests 179s 179s CPPTRAJ: Test kinetic energy calculation 179s 179s CPPTRAJ: Test total energy calculation 179s 179s CPPTRAJ: Test partial energy calculation 179s 179s All 6 comparisons passed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_LESsplit 179s 179s CPPTRAJ: LES split/average test 179s 179s All 2 comparisons passed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_PermuteDihedrals 179s 179s CPPTRAJ: PermuteDihedrals interval -120, phi psi 179s 179s CPPTRAJ: PermuteDihedrals, random rotations 179s 179s All 4 comparisons passed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CCP4 179s 179s CPPTRAJ: CCP4 read/write and DX conversion test. 179s Error: Mode 33554432; currently only mode 2 for CCP4 files is supported. 179s Error: reading datafile fav8.guv.O.1.ccp4 179s Error: Could not read data file 'fav8.guv.O.1.ccp4'. 179s 1 errors encountered reading input. 179s Error: Error(s) occurred during execution. 179s Error: cpptraj exited with status 1 179s 179s 1 out of 1 executions exited with an error. 179s 2 out of 2 comparisons failed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_DihCovar 179s 179s CPPTRAJ: Dihedral Covariance Matrix Test 179s 179s All 3 comparisons passed. 179s 179s ******************************************************************************** 179s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CurveFit 179s 179s CPPTRAJ: Curve fitting test. 179s 179s CPPTRAJ: Curve fitting multi-exponential tests. 180s 180s CPPTRAJ: Curve fitting, custom output range. 180s 180s All 6 comparisons passed. 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Multicurve 180s 180s CPPTRAJ: Multicurve test 180s 180s All 1 comparisons passed. 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_DataSetAverage 180s 180s CPPTRAJ: Data set averaging and averaging over all sets test. 180s 180s All 2 comparisons passed. 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_VectorMath 180s 180s CPPTRAJ: Vector dot/cross product test 180s 180s All 2 comparisons passed. 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Esander 180s SANDER energy tests (long) requires SANDER API from AmberTools. 180s Cpptraj was compiled without SANDER API from AmberTools support. 180s SANDER energy tests (long) is a long test and long tests disabled. Use 'long' to run. 180s SKIP: SANDER energy tests (long) 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Esander_Short 180s Energy via sander API short tests (GB/PME) requires SANDER API from AmberTools. 180s Cpptraj was compiled without SANDER API from AmberTools support. 180s SKIP: Energy via sander API short tests (GB/PME) 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Temperature 180s 180s CPPTRAJ: Temperature test. 180s 180s CPPTRAJ: Temperature with SHAKE on hydrogens. 180s 180s CPPTRAJ: Temperature with SHAKE on all atoms. 180s 180s CPPTRAJ: Temperature calc with extra points. 180s 180s All 5 comparisons passed. 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Spline 180s 180s CPPTRAJ: Spline test 180s 180s All 1 comparisons passed. 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_KDE 180s 180s CPPTRAJ: KDE test. 180s 180s CPPTRAJ: KDE with Kullback-Leibler divergence test 180s 180s All 4 comparisons passed. 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Wavelet 180s 180s CPPTRAJ: Wavelet analysis test 180s 180s CPPTRAJ: Wavelet WAFEX test 180s 180s All 3 comparisons passed. 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CIF 180s 180s CPPTRAJ: CIF read test 180s 180s CPPTRAJ: Generate offset traj from PDB 180s 180s CPPTRAJ: Generate offset traj from CIF 180s 180s All 2 comparisons passed. 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_PDB 180s 180s CPPTRAJ: PDB format read/write test 180s 180s CPPTRAJ: PQR file write with various radii 180s 180s CPPTRAJ: PDB filter alternate atom location IDs test 180s 180s CPPTRAJ: Adding PDB info to topology 180s 180s All 10 comparisons passed. 180s 180s ******************************************************************************** 180s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Align 180s 180s CPPTRAJ: Align Tests. 180s 180s CPPTRAJ: Align, unit cell rotation/imaging test. 181s 181s All 4 comparisons passed. 181s 181s ******************************************************************************** 181s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_VelocityAutoCorr 181s 181s CPPTRAJ: Velocity autocorrelation test 181s 181s All 3 comparisons passed. 181s 181s ******************************************************************************** 181s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_VelFrc 181s 181s CPPTRAJ: Test combining coordinates, velocities, and forces. 181s 181s CPPTRAJ: Test using velocities as coordinates. 181s 181s CPPTRAJ: Test writing velocities (MDVEL) 181s 181s CPPTRAJ: Test using forces as coordinates. 181s 181s CPPTRAJ: Test writing forces (MDFRC) 181s 181s CPPTRAJ: Test writing combined coords/velocity/force NetCDF restart. 181s 181s CPPTRAJ: Test reading combined coords/velocity/force NetCDF restart. 181s 181s All 5 comparisons passed. 181s 181s ******************************************************************************** 181s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_RotateDihedral 181s 181s CPPTRAJ: Rotate dihedral to target value. 181s 181s CPPTRAJ: Rotate dihedral by increment 181s 181s CPPTRAJ: Rotate dihedral in TRAJ data set 181s 181s All 3 comparisons passed. 181s 181s ******************************************************************************** 181s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_DataSetCmd 181s 181s CPPTRAJ: Data Set commands test 181s 181s All 10 comparisons passed. 181s 181s ******************************************************************************** 181s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Remap 181s 181s CPPTRAJ: Remap Test 181s 181s All 1 comparisons passed. 181s 181s ******************************************************************************** 181s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CompareTop 181s 181s CPPTRAJ: Compare topology test 181s 181s All 1 comparisons passed. 181s 181s ******************************************************************************** 181s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Filter 181s 181s CPPTRAJ: Basic filter test 181s 181s CPPTRAJ: Data filter test. 181s 181s CPPTRAJ: Filter matrix test. 181s 181s All 5 comparisons passed. 181s 181s ******************************************************************************** 181s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CombineCrd 181s 181s CPPTRAJ: Combine COORDS test. 181s 181s CPPTRAJ: Combine COORDS test with box info. 181s 181s CPPTRAJ: Split coords and recombine test. 182s 182s All 5 comparisons passed. 182s 182s ******************************************************************************** 182s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_TopInfo 182s 182s CPPTRAJ: Topology info print test. 182s 182s CPPTRAJ: Topology info with reference coords test 182s 182s All 12 comparisons passed. 182s 182s ******************************************************************************** 182s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_GromacsTrr 182s 182s CPPTRAJ: TRR force/velocity read -> NetCDF write test 183s Error: # atoms in TRX file (0) does not match # atoms in parm nvt.protein.mol2 (1960) 183s Error: Could not set up 'nvt.2frame.trr' for reading. 183s Error: Could not set up input trajectory 'nvt.2frame.trr'. 183s 1 errors encountered reading input. 183s Error: Error(s) occurred during execution. 183s Error: cpptraj exited with status 1 183s 183s CPPTRAJ: TRR force/velocity read -> TRR write test 183s Error: # atoms in TRX file (0) does not match # atoms in parm nvt.protein.mol2 (1960) 183s Error: Could not set up 'nvt.2frame.trr' for reading. 183s Error: Could not set up input trajectory 'nvt.2frame.trr'. 184s 1 errors encountered reading input. 184s Error: Error(s) occurred during execution. 184s Error: cpptraj exited with status 1 184s 184s CPPTRAJ: CRD => TRR 184s 184s CPPTRAJ: TRR => CRD 184s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827) 184s Error: Could not set up 'mop.trr' for reading. 184s Error: Could not set up input trajectory 'mop.trr'. 184s 1 errors encountered reading input. 184s Error: Error(s) occurred during execution. 184s Error: cpptraj exited with status 1 184s 184s CPPTRAJ: CRD(1-5) => TRR 184s 184s CPPTRAJ: CRD(6-10) => TRR 184s 184s CPPTRAJ: TRR (appended) => CRD 185s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827) 185s Error: Could not set up 'mop.trr' for reading. 185s Error: Could not set up input trajectory 'mop.trr'. 185s 1 errors encountered reading input. 185s Error: Error(s) occurred during execution. 185s Error: cpptraj exited with status 1 185s 185s CPPTRAJ: GMX: CRD with offset 185s 185s CPPTRAJ: GMX: TRR with offset 185s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827) 185s Error: Could not set up 'mop.trr' for reading. 185s Error: Could not set up input trajectory 'mop.trr'. 186s 1 errors encountered reading input. 186s Error: Error(s) occurred during execution. 186s Error: cpptraj exited with status 1 186s 186s 5 out of 9 executions exited with an error. 186s 5 out of 5 comparisons failed. 186s 186s ******************************************************************************** 186s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_GromacsXtc 186s 186s CPPTRAJ: XTC read test 186s 186s CPPTRAJ: CRD => XTC 186s 186s CPPTRAJ: XTC => CRD 186s 186s CPPTRAJ: CRD(1-5) => XTC 186s 186s CPPTRAJ: CRD(6-10) => XTC 186s 186s CPPTRAJ: XTC (appended) => CRD 186s 186s CPPTRAJ: GMX: CRD with offset 186s 186s CPPTRAJ: GMX: XTC with offset 186s 186s All 4 comparisons passed. 186s 186s ******************************************************************************** 186s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_GromacsTNG 186s 186s CPPTRAJ: TNG read test 186s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 186s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 186s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 186s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 186s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s 186s CPPTRAJ: TNG read test (with offset) 186s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 186s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 186s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 186s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 186s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 186s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 186s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 186s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 186s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 186s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 186s 186s 6 out of 6 comparisons failed. 186s 186s ******************************************************************************** 186s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Ewald 186s 186s CPPTRAJ: Direct sum test 187s 187s CPPTRAJ: Ewald test (NaCl crystal) 187s 187s CPPTRAJ: Ewald test (trunc. oct) 187s 187s CPPTRAJ: Ewald test (partial system, trunc. oct) 187s Ewald test (trunc. oct), 10 frames is a long test and long tests disabled. Use 'long' to run. 187s Skipped test: Ewald test (trunc. oct), 10 frames 187s Ewald test (ortho), 10 frames is a long test and long tests disabled. Use 'long' to run. 187s Skipped test: Ewald test (ortho), 10 frames 187s 187s All 4 comparisons passed. 187s 2 comparisons skipped. 187s 187s ******************************************************************************** 187s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_LibPME 187s 187s CPPTRAJ: Particle mesh Ewald test (NaCl crystal) 187s 187s CPPTRAJ: Particle mesh Ewald test (trunc. oct) 187s 187s CPPTRAJ: Particle mesh Ewald test (ortho) 187s 187s CPPTRAJ: Particle mesh Ewald test (ortho, with mask) 188s 188s CPPTRAJ: PME test (partial system, trunc. oct) 188s PME test (trunc. oct), 10 frames is a long test and long tests disabled. Use 'long' to run. 188s Skipped test: PME test (trunc. oct), 10 frames 188s 188s All 5 comparisons passed. 188s 1 comparisons skipped. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_LJ_PME 188s 188s CPPTRAJ: LJ PME test. 188s 188s CPPTRAJ: LJ PME kappa sweep test, 0.25 188s 188s CPPTRAJ: LJ PME kappa sweep test, 0.35 188s 188s CPPTRAJ: LJ PME kappa sweep test, 0.45 188s 188s CPPTRAJ: LJ PME kappa sweep test, 0.5 188s 188s CPPTRAJ: LJ with switch function test 188s 188s All 5 comparisons passed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_TI 188s 188s CPPTRAJ: TI analysis test. 188s 188s All 5 comparisons passed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_FixImagedBonds 188s 188s CPPTRAJ: Fix imaged bonds test (Ortho.) 188s 188s CPPTRAJ: Fix imaged bonds test (Non-ortho.) 188s 188s All 2 comparisons passed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Distance 188s 188s CPPTRAJ: Distance tests 188s 188s CPPTRAJ: Orthogonal imaged distance 188s 188s CPPTRAJ: Non-orthogonal imaged distance 188s 188s All 3 comparisons passed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Volume 188s 188s CPPTRAJ: Volume tests 188s 188s All 1 comparisons passed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_SetVelocity 188s 188s CPPTRAJ: Set Velocity test 188s 188s CPPTRAJ: Scale velocity test 188s 188s 1 out of 3 comparisons failed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Remlog 188s 188s CPPTRAJ: Replica log read/analyze test. 188s 188s All 7 comparisons passed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_AreaPerMol 188s 188s CPPTRAJ: Area per molecule test 188s 188s All 6 comparisons passed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_DistBasedMask 188s 188s CPPTRAJ: Distance-based atom mask tests (atom, residue) 188s 188s CPPTRAJ: Distance-based atom mask tests (molecule) 188s 188s All 6 comparisons passed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Calc 188s 188s CPPTRAJ: Calc test 188s 188s CPPTRAJ: Calc test with data sets 188s 188s CPPTRAJ: Test math functions 188s 188s All 4 comparisons passed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CalcState 188s 188s CPPTRAJ: Calcstate test 188s 188s All 4 comparisons passed. 188s 188s ******************************************************************************** 188s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Change 188s 188s CPPTRAJ: Change atom and residue name tests 188s 188s CPPTRAJ: Change chain ID test 188s 188s CPPTRAJ: Change chain ID of COORDS set test 189s 189s All 3 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CreateReservoir 189s 189s CPPTRAJ: Create RREMD NetCDF reservoir test 189s 189s All 1 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_FixAtomOrder 189s 189s CPPTRAJ: Out of order molecules test 189s 189s All 2 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_LowestCurve 189s 189s CPPTRAJ: LowestCurve test 189s 189s All 1 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_MinImage 189s 189s CPPTRAJ: Minimum Image test. 189s 189s All 1 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Regress 189s 189s CPPTRAJ: Linear regression test. 189s 189s All 3 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Rst 189s 189s CPPTRAJ: Generate restraints (rst) test 189s 189s All 1 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Pairwise 189s 189s CPPTRAJ: Pairwise tests 189s 189s CPPTRAJ: Pairwise test, partial system 189s 189s All 10 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_ParmBox 189s 189s CPPTRAJ: Parmbox test 189s 189s All 1 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Solvent 189s 189s CPPTRAJ: Test solvent command with closest 189s 189s All 1 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Translate 189s 189s CPPTRAJ: Translate test 189s 189s All 1 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_ReplicateCell 189s 189s CPPTRAJ: Replicate cell test 189s 189s All 1 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_ScaleDihedralK 189s 189s CPPTRAJ: Scale dihedral force constant test 189s 189s CPPTRAJ: Scale dihedral force constant with 'useall' 189s 189s All 2 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_PhiPsi 189s 189s CPPTRAJ: Phipsi test 189s 189s All 1 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Control 189s 189s CPPTRAJ: Loop tests 189s 189s CPPTRAJ: Test set command 189s 189s CPPTRAJ: Test reading comma-separated list of strings 189s 189s CPPTRAJ: Test nested loops and variables in loops 189s 189s CPPTRAJ: Test loop over data set blocks 189s 189s CPPTRAJ: Test for filename wildcards and oversets 189s 189s All 13 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_InfraredSpec 189s 189s CPPTRAJ: Infrared spectrum calculation test 189s 189s All 2 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Cphstats 189s 189s CPPTRAJ: Explicit pH REMD ensemble data read / sort 189s 189s CPPTRAJ: Constant pH stats test 189s 189s CPPTRAJ: Sorted implicit constant pH stats test 189s 189s CPPTRAJ: Implicit pH REMD ensemble data read / sort / stats 189s 189s CPPTRAJ: Unsorted pH read/write test 189s 189s All 16 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CmdLine 189s 189s CPPTRAJ: Command line trajectory args test, part 1 189s 189s CPPTRAJ: Command line test trajectory args test, part 2 189s 189s CPPTRAJ: Command line wildcard test, part 1 189s 189s CPPTRAJ: Command line wildcard test, part 2 189s 189s All 2 comparisons passed. 189s 189s ******************************************************************************** 189s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_XYZformat 189s 189s CPPTRAJ: XYZ format write 189s 189s CPPTRAJ: Atom XYZ format read, test 1 189s 189s CPPTRAJ: Atom XYZ format read, test 2 189s 189s CPPTRAJ: Atom XYZ format read, test 3 190s 190s CPPTRAJ: Atom XYZ format read, test 4 190s 190s CPPTRAJ: Atom XYZ format read, test 5 190s 190s CPPTRAJ: Atom XYZ format read, test 6 190s 190s All 6 comparisons passed. 190s 190s ******************************************************************************** 190s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Hausdorff 190s 190s CPPTRAJ: Simple Hausdorff distance test. 190s 190s CPPTRAJ: Hausdorff distance of 2D rms output test. 190s 190s CPPTRAJ: Hausdorff distance of 2D rms output test. 190s 190s All 3 comparisons passed. 190s 190s ******************************************************************************** 190s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_CatCrd 190s 190s CPPTRAJ: Concatenate COORDS data set test 190s 190s All 1 comparisons passed. 190s 190s ******************************************************************************** 190s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_XtalSymm 190s 190s CPPTRAJ: XtalSymm Reference 190s 190s CPPTRAJ: XtalSymm Reimaging by Atom 192s 192s CPPTRAJ: XtalSymm Reimaging by Molecule 193s 193s All 3 comparisons passed. 193s 193s ******************************************************************************** 193s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Time 193s 193s CPPTRAJ: Add time to restart test 193s 193s CPPTRAJ: Remove time from restart test 193s 193s CPPTRAJ: Add time to trajectory test 193s 193s CPPTRAJ: Modify time info test. 193s 193s All 4 comparisons passed. 193s 193s ******************************************************************************** 193s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_SplitCoords 193s 193s CPPTRAJ: SplitCoords test 193s 193s All 1 comparisons passed. 193s 193s ******************************************************************************** 193s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_DihedralRMS 193s 193s CPPTRAJ: Dihedral RMSD tests (first, reference, reference traj.) 193s 193s CPPTRAJ: Dihedral RMSD test (to previous) 193s 193s CPPTRAJ: Dihedral RMS fluctuation test. 194s 194s All 5 comparisons passed. 194s 194s ******************************************************************************** 194s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Slope 194s 194s CPPTRAJ: Finite difference test. 194s 194s All 1 comparisons passed. 194s 194s ******************************************************************************** 194s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Diagmatrix 194s 194s CPPTRAJ: MW covariance matrix thermo analysis test 194s 194s All 1 comparisons passed. 194s 194s ******************************************************************************** 194s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Emin 194s 194s CPPTRAJ: Basic energy minimization test. 194s 194s CPPTRAJ: Energy minimization with angle term test. 194s 194s CPPTRAJ: Energy minimization with dihedral and 1-4 terms test. 194s 194s CPPTRAJ: Energy minimization with nonbond term test. 194s OpenMM basic energy minimization tests requires OpenMM. 194s Cpptraj was compiled without OpenMM support. 194s Skipped test: OpenMM basic energy minimization tests 194s 194s All 4 comparisons passed. 194s 1 comparisons skipped. 194s 194s ******************************************************************************** 194s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_EvalPlateau 194s 194s CPPTRAJ: Evalulate plateau test 194s 194s All 2 comparisons passed. 194s 194s ******************************************************************************** 194s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Graft 194s 194s CPPTRAJ: Graft test 194s 194s All 1 comparisons passed. 194s 194s ******************************************************************************** 194s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Flatten 194s 194s CPPTRAJ: Flatten test. 194s 194s All 1 comparisons passed. 194s 194s ******************************************************************************** 194s TEST: /tmp/autopkgtest.3dWfzV/build.Pql/src/test/Test_Random 194s 194s CPPTRAJ: Test Marsaglia, PCG32, and Xoshiro128++ RNGs 194s 194s CPPTRAJ: PCG32 RNG test. 194s 194s CPPTRAJ: Test Stdlib RNG 194s 194s CPPTRAJ: Test Mersenne Twister RNG 194s 194s All 4 comparisons passed. 194s 194s make[1]: Leaving directory '/tmp/autopkgtest.3dWfzV/build.Pql/src/test' 194s lrwxrwxrwx 1 ubuntu ubuntu 16 Mar 23 11:51 ../bin/cpptraj -> /usr/bin/cpptraj 194s ===================== TEST SUMMARY ====================== 194s 833 out of 855 comparisons OK (15 failed, 0 warnings, 7 skipped). 194s 469 out of 475 program executions completed. 194s 165 out of 173 tests completed with no issues. 194s 2 tests skipped. 194s ========================================================= 194s make: *** [Makefile:662: summary] Error 21 194s make: Leaving directory '/tmp/autopkgtest.3dWfzV/build.Pql/src/test' 194s autopkgtest [11:52:05]: test command1: -----------------------] 195s command1 FAIL non-zero exit status 2 195s autopkgtest [11:52:06]: test command1: - - - - - - - - - - results - - - - - - - - - - 195s autopkgtest [11:52:06]: test command1: - - - - - - - - - - stderr - - - - - - - - - - 195s Error: Mode 33554432; currently only mode 2 for CCP4 files is supported. 195s Error: reading datafile fav8.guv.O.1.ccp4 195s Error: Could not read data file 'fav8.guv.O.1.ccp4'. 195s 1 errors encountered reading input. 195s Error: Error(s) occurred during execution. 195s Error: cpptraj exited with status 1 195s Error: # atoms in TRX file (0) does not match # atoms in parm nvt.protein.mol2 (1960) 195s Error: Could not set up 'nvt.2frame.trr' for reading. 195s Error: Could not set up input trajectory 'nvt.2frame.trr'. 195s 1 errors encountered reading input. 195s Error: Error(s) occurred during execution. 195s Error: cpptraj exited with status 1 195s Error: # atoms in TRX file (0) does not match # atoms in parm nvt.protein.mol2 (1960) 195s Error: Could not set up 'nvt.2frame.trr' for reading. 195s Error: Could not set up input trajectory 'nvt.2frame.trr'. 195s 1 errors encountered reading input. 195s Error: Error(s) occurred during execution. 195s Error: cpptraj exited with status 1 195s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827) 195s Error: Could not set up 'mop.trr' for reading. 195s Error: Could not set up input trajectory 'mop.trr'. 195s 1 errors encountered reading input. 195s Error: Error(s) occurred during execution. 195s Error: cpptraj exited with status 1 195s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827) 195s Error: Could not set up 'mop.trr' for reading. 195s Error: Could not set up input trajectory 'mop.trr'. 195s 1 errors encountered reading input. 195s Error: Error(s) occurred during execution. 195s Error: cpptraj exited with status 1 195s Error: # atoms in TRX file (0) does not match # atoms in parm tz2.truncoct.parm7 (5827) 195s Error: Could not set up 'mop.trr' for reading. 195s Error: Could not set up input trajectory 'mop.trr'. 195s 1 errors encountered reading input. 195s Error: Error(s) occurred during execution. 195s Error: cpptraj exited with status 1 195s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 195s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 195s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 195s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 195s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 195s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 195s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 195s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 195s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 195s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 195s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: General info block contents corrupt. Hashes do not match. tng_io.c: 2370 195s TNG library: Molecules block contents corrupt. Hashes do not match. tng_io.c: 3277 195s TNG library: Data block contents corrupt (PARTIAL CHARGES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (ATOM MASSES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Frame set block contents corrupt (first frame 0). Hashes do not match. tng_io.c: 3701 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (LAMBDAS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (POSITIONS). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (FORCES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (VELOCITIES). Hashes do not match. tng_io.c: 6445 195s TNG library: Data block contents corrupt (BOX SHAPE). Hashes do not match. tng_io.c: 6445 195s make: *** [Makefile:662: summary] Error 21 195s autopkgtest [11:52:06]: @@@@@@@@@@@@@@@@@@@@ summary 195s command1 FAIL non-zero exit status 2 210s Creating nova instance adt-noble-s390x-cpptraj-20240323-114851-juju-7f2275-prod-proposed-migration-environment-3 from image adt/ubuntu-noble-s390x-server-20240323.img (UUID 15bd59e1-c29b-45d7-aba1-73ff15182fb5)...