Task 38584286

Name JNK1_A27_A38_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-1-5-RND6968_1
Workunit 31545483
Created 17 Dec 2025, 5:18:39 UTC
Sent 17 Dec 2025, 5:18:43 UTC
Report deadline 22 Dec 2025, 5:18:43 UTC
Received 17 Dec 2025, 16:38:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624261
Run time 5 hours 57 min 57 sec
CPU time 4 hours 59 min 52 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 14,842.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.90 MB
Peak swap size 3.88 GB
Peak disk usage 5.02 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
12:24:33 (26312): wrapper (7.9.26016): starting
12:24:33 (26312): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A38_0.pdb
QB_A27_A38_0.xml
QB_A27_A38_equil.pdb
QB_A27_A38.inpcrd
QB_A27_A38_input.yaml
QB_A27_A38_mdlambda.pdb
QB_A27_A38_min.pdb
QB_A27_A38_npt.pdb
QB_A27_A38_out_merged_nowater.pdb
QB_A27_A38.pdb
QB_A27_A38.prmtop
QB_A27_A38_sys.xml
QB_A27_A38_therm.pdb
run.bat
run.sh
12:24:41 (26312): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:24:41 (26312): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  Running command pip subprocess to install build dependencies
  Using pip 24.3.1 from C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip (python 3.11)
  Collecting setuptools
    Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
    Using cached setuptools-80.9.0-py3-none-any.whl.metadata (6.6 kB)
  Collecting setuptools-scm>=8
    Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/3d/ea/ac2bf868899d0d2e82ef72d350d97a846110c709bacf2d968431576ca915/setuptools_scm-9.2.2-py3-none-any.whl.metadata
    Downloading setuptools_scm-9.2.2-py3-none-any.whl.metadata (7.7 kB)
  Collecting packaging>=20 (from setuptools-scm>=8)
    Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/20/12/38679034af332785aac8774540895e234f4d07f7545804097de4b666afd8/packaging-25.0-py3-none-any.whl.metadata
    Using cached packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
  Using cached setuptools-80.9.0-py3-none-any.whl (1.2 MB)
  Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
  Using cached packaging-25.0-py3-none-any.whl (66 kB)
  Installing collected packages: setuptools, packaging, setuptools-scm
    Creating C:\ProgramData\BOINC\slots\0\pip-build-env-bltced37\overlay\Scripts
  Successfully installed packaging-25.0 setuptools-80.9.0 setuptools-scm-9.2.2
  Running command Getting requirements to build wheel
  C:\ProgramData\BOINC\slots\0\pip-build-env-bltced37\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:51: UserWarning: version of None already set
    warnings.warn(self.message)
  running egg_info
  writing atom_openmm.egg-info\PKG-INFO
  writing dependency_links to atom_openmm.egg-info\dependency_links.txt
  writing entry points to atom_openmm.egg-info\entry_points.txt
  writing requirements to atom_openmm.egg-info\requires.txt
  writing top-level names to atom_openmm.egg-info\top_level.txt
  listing git files failed - pretending there aren't any
  reading manifest file 'atom_openmm.egg-info\SOURCES.txt'
  reading manifest template 'MANIFEST.in'
  adding license file 'LICENSE'
  writing manifest file 'atom_openmm.egg-info\SOURCES.txt'
  Running command Preparing metadata (pyproject.toml)
  C:\ProgramData\BOINC\slots\0\pip-build-env-bltced37\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:51: UserWarning: version of None already set
    warnings.warn(self.message)
  running dist_info
  creating C:\ProgramData\BOINC\slots\0\pip-modern-metadata-3v_gnrsb\atom_openmm.egg-info
  writing C:\ProgramData\BOINC\slots\0\pip-modern-metadata-3v_gnrsb\atom_openmm.egg-info\PKG-INFO
  writing dependency_links to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-3v_gnrsb\atom_openmm.egg-info\dependency_links.txt
  writing entry points to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-3v_gnrsb\atom_openmm.egg-info\entry_points.txt
  writing requirements to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-3v_gnrsb\atom_openmm.egg-info\requires.txt
  writing top-level names to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-3v_gnrsb\atom_openmm.egg-info\top_level.txt
  writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-3v_gnrsb\atom_openmm.egg-info\SOURCES.txt'
  listing git files failed - pretending there aren't any
  reading manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-3v_gnrsb\atom_openmm.egg-info\SOURCES.txt'
  reading manifest template 'MANIFEST.in'
  adding license file 'LICENSE'
  writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-3v_gnrsb\atom_openmm.egg-info\SOURCES.txt'
  creating 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-3v_gnrsb\atom_openmm-8.4.0.dist-info'
  Running command Building wheel for atom-openmm (pyproject.toml)
  C:\ProgramData\BOINC\slots\0\pip-build-env-bltced37\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:51: UserWarning: version of None already set
    warnings.warn(self.message)
  running bdist_wheel
  running build
  running build_py
  creating build\lib\atom_openmm
  copying atom_openmm\abfe_explicit.py -> build\lib\atom_openmm
  copying atom_openmm\abfe_production.py -> build\lib\atom_openmm
  copying atom_openmm\abfe_structprep.py -> build\lib\atom_openmm
  copying atom_openmm\async_re.py -> build\lib\atom_openmm
  copying atom_openmm\gibbs_sampling.py -> build\lib\atom_openmm
  copying atom_openmm\local_openmm_transport.py -> build\lib\atom_openmm
  copying atom_openmm\make_atm_system_from_amber.py -> build\lib\atom_openmm
  copying atom_openmm\make_atm_system_from_pdb.py -> build\lib\atom_openmm
  copying atom_openmm\make_atm_system_from_rcpt_lig.py -> build\lib\atom_openmm
  copying atom_openmm\ommreplica.py -> build\lib\atom_openmm
  copying atom_openmm\ommsystem.py -> build\lib\atom_openmm
  copying atom_openmm\ommworker.py -> build\lib\atom_openmm
  copying atom_openmm\openmm_async_re.py -> build\lib\atom_openmm
  copying atom_openmm\rbfe_explicit.py -> build\lib\atom_openmm
  copying atom_openmm\rbfe_production.py -> build\lib\atom_openmm
  copying atom_openmm\rbfe_structprep.py -> build\lib\atom_openmm
  copying atom_openmm\temperatureRE_explicit.py -> build\lib\atom_openmm
  copying atom_openmm\transport.py -> build\lib\atom_openmm
  copying atom_openmm\uwham.py -> build\lib\atom_openmm
  copying atom_openmm\__init__.py -> build\lib\atom_openmm
  creating build\lib\atom_openmm\utils
  copying atom_openmm\utils\AtomUtils.py -> build\lib\atom_openmm\utils
  copying atom_openmm\utils\config.py -> build\lib\atom_openmm\utils
  copying atom_openmm\utils\singal_guard.py -> build\lib\atom_openmm\utils
  copying atom_openmm\utils\timer.py -> build\lib\atom_openmm\utils
  copying atom_openmm\utils\__init__.py -> build\lib\atom_openmm\utils
  running egg_info
  writing atom_openmm.egg-info\PKG-INFO
  writing dependency_links to atom_openmm.egg-info\dependency_links.txt
  writing entry points to atom_openmm.egg-info\entry_points.txt
  writing requirements to atom_openmm.egg-info\requires.txt
  writing top-level names to atom_openmm.egg-info\top_level.txt
  listing git files failed - pretending there aren't any
  reading manifest file 'atom_openmm.egg-info\SOURCES.txt'
  reading manifest template 'MANIFEST.in'
  adding license file 'LICENSE'
  writing manifest file 'atom_openmm.egg-info\SOURCES.txt'
  copying atom_openmm\utils\logging.conf -> build\lib\atom_openmm\utils
  installing to build\bdist.win-amd64\wheel
  running install
  running install_lib
  creating build\bdist.win-amd64\wheel
  creating build\bdist.win-amd64\wheel\atom_openmm
  copying build\lib\atom_openmm\abfe_explicit.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\abfe_production.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\abfe_structprep.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\async_re.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\gibbs_sampling.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\local_openmm_transport.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\make_atm_system_from_amber.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\make_atm_system_from_pdb.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\make_atm_system_from_rcpt_lig.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\ommreplica.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\ommsystem.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\ommworker.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\openmm_async_re.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\rbfe_explicit.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\rbfe_production.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\rbfe_structprep.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\temperatureRE_explicit.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\transport.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  creating build\bdist.win-amd64\wheel\atom_openmm\utils
  copying build\lib\atom_openmm\utils\AtomUtils.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
  copying build\lib\atom_openmm\utils\config.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
  copying build\lib\atom_openmm\utils\logging.conf -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
  copying build\lib\atom_openmm\utils\singal_guard.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
  copying build\lib\atom_openmm\utils\timer.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
  copying build\lib\atom_openmm\utils\__init__.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
  copying build\lib\atom_openmm\uwham.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  copying build\lib\atom_openmm\__init__.py -> build\bdist.win-amd64\wheel\.\atom_openmm
  running install_egg_info
  Copying atom_openmm.egg-info to build\bdist.win-amd64\wheel\.\atom_openmm-8.4.0-py3.11.egg-info
  running install_scripts
  creating build\bdist.win-amd64\wheel\atom_openmm-8.4.0.dist-info\WHEEL
  creating 'C:\ProgramData\BOINC\slots\0\pip-wheel-tzf9_ydi\.tmp-_6rqlfiz\atom_openmm-8.4.0-py3-none-any.whl' and adding 'build\bdist.win-amd64\wheel' to it
  adding 'atom_openmm/__init__.py'
  adding 'atom_openmm/abfe_explicit.py'
  adding 'atom_openmm/abfe_production.py'
  adding 'atom_openmm/abfe_structprep.py'
  adding 'atom_openmm/async_re.py'
  adding 'atom_openmm/gibbs_sampling.py'
  adding 'atom_openmm/local_openmm_transport.py'
  adding 'atom_openmm/make_atm_system_from_amber.py'
  adding 'atom_openmm/make_atm_system_from_pdb.py'
  adding 'atom_openmm/make_atm_system_from_rcpt_lig.py'
  adding 'atom_openmm/ommreplica.py'
  adding 'atom_openmm/ommsystem.py'
  adding 'atom_openmm/ommworker.py'
  adding 'atom_openmm/openmm_async_re.py'
  adding 'atom_openmm/rbfe_explicit.py'
  adding 'atom_openmm/rbfe_production.py'
  adding 'atom_openmm/rbfe_structprep.py'
  adding 'atom_openmm/temperatureRE_explicit.py'
  adding 'atom_openmm/transport.py'
  adding 'atom_openmm/uwham.py'
  adding 'atom_openmm/utils/AtomUtils.py'
  adding 'atom_openmm/utils/__init__.py'
  adding 'atom_openmm/utils/config.py'
  adding 'atom_openmm/utils/logging.conf'
  adding 'atom_openmm/utils/singal_guard.py'
  adding 'atom_openmm/utils/timer.py'
  adding 'atom_openmm-8.4.0.dist-info/licenses/LICENSE'
  adding 'atom_openmm-8.4.0.dist-info/METADATA'
  adding 'atom_openmm-8.4.0.dist-info/WHEEL'
  adding 'atom_openmm-8.4.0.dist-info/entry_points.txt'
  adding 'atom_openmm-8.4.0.dist-info/top_level.txt'
  adding 'atom_openmm-8.4.0.dist-info/RECORD'
  removing build\bdist.win-amd64\wheel
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835172} normal block at 0x00000197D813BCA0, 8 bytes long.
 Data: <        > 00 00 B2 D9 97 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x00000197D9DD4180, 1080 bytes long.
 Data: <Di      $       > 44 69 00 00 CD CD CD CD 24 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000197D81350E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
12:33:50 (17404): wrapper (7.9.26016): starting
12:33:50 (17404): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849855} normal block at 0x000001D12F9EB6B0, 8 bytes long.
 Data: <  >1    > 00 00 3E 31 D1 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000001D12F9DBF00, 1080 bytes long.
 Data: < b              > CC 62 00 00 CD CD CD CD 8C 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001D12F9E03D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
14:53:03 (24160): wrapper (7.9.26016): starting
14:53:03 (24160): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849855} normal block at 0x00000177A2C1AE70, 8 bytes long.
 Data: <  d w   > 00 00 64 A4 77 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x00000177A2C0BF00, 1080 bytes long.
 Data: < ;      T       > C0 3B 00 00 CD CD CD CD 54 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000177A2C0F090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
15:05:04 (6800): wrapper (7.9.26016): starting
15:05:04 (6800): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849855} normal block at 0x0000024D231DA990, 8 bytes long.
 Data: <   #M   > 00 00 1A 23 4D 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x0000024D24CD82C0, 1080 bytes long.
 Data: < $              > 8C 24 00 00 CD CD CD CD 18 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000024D231CF060, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
15:19:57 (17924): wrapper (7.9.26016): starting
15:19:57 (17924): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849854} normal block at 0x000002368922B280, 8 bytes long.
 Data: <    6   > 00 00 BD 8A 36 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848634} normal block at 0x000002368921BF00, 1080 bytes long.
 Data: < w              > 8C 77 00 00 CD CD CD CD C8 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002368921EE10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
17:48:02 (4116): wrapper (7.9.26016): starting
17:48:02 (4116): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849855} normal block at 0x000001D73C02A340, 8 bytes long.
 Data: <   ;    > 00 00 FF 3B D7 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000001D73C01BF00, 1080 bytes long.
 Data: < [              > F4 5B 00 00 CD CD CD CD CC 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001D73C01F3E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
17:58:03 (25776): wrapper (7.9.26016): starting
17:58:03 (25776): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849855} normal block at 0x000002A28CE9B480, 8 bytes long.
 Data: <        > 00 00 8C 8E A2 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000002A28CEA2A60, 1080 bytes long.
 Data: < o              > E8 6F 00 00 CD CD CD CD 0C 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002A28CE900F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
18:15:48 (5300): wrapper (7.9.26016): starting
18:15:48 (5300): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849855} normal block at 0x0000022C885DAED0, 8 bytes long.
 Data: <    ,   > 00 00 E6 89 2C 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x0000022C885E1920, 1080 bytes long.
 Data: < E      p       > 08 45 00 00 CD CD CD CD 70 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000022C885CF330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
18:27:08 (10236): wrapper (7.9.26016): starting
18:27:08 (10236): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849855} normal block at 0x00000221BF16B0F0, 8 bytes long.
 Data: <    !   > 00 00 B8 C0 21 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x00000221BF15BF00, 1080 bytes long.
 Data: <$9      T       > 24 39 00 00 CD CD CD CD 54 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000221BF15F090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
21:18:50 (10568): wrapper (7.9.26016): starting
21:18:50 (10568): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849855} normal block at 0x000001F77515AB10, 8 bytes long.
 Data: <   v    > 00 00 AB 76 F7 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000001F776DE5800, 1080 bytes long.
 Data: <Hs              > 48 73 00 00 CD CD CD CD 80 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F77514EFB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
21:32:26 (21472): wrapper (7.9.26016): starting
21:32:26 (21472): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
23:06:38 (21472): C:/Windows/system32/cmd.exe exited; CPU time 4689.312500
23:06:38 (21472): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 77272208 bytes.
Dumping objects ->
{3849943} normal block at 0x00000275397F1480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849932} normal block at 0x00000275397F07D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849921} normal block at 0x00000275397F1640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3849910} normal block at 0x00000275397F0BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849899} normal block at 0x00000275397F0A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3849868} normal block at 0x00000275399030A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3849855} normal block at 0x0000027537DAB370, 8 bytes long.
 Data: <  &#128;9u   > 00 00 80 39 75 02 00 00 
{3848636} normal block at 0x0000027537DAA830, 8 bytes long.
 Data: < &#191;&#217;7u   > 00 BF D9 37 75 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000027537D9F1D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027537D9BB00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000027537DB3680, 16 bytes long.
 Data: < :&#219;7u           > 18 3A DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027537DB3630, 16 bytes long.
 Data: <&#240;9&#219;7u           > F0 39 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027537DAE7D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000027537DB2C30, 16 bytes long.
 Data: <&#200;9&#219;7u           > C8 39 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027537DB2AF0, 16 bytes long.
 Data: <&#160;9&#219;7u           > A0 39 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027537DB2820, 16 bytes long.
 Data: <x9&#219;7u           > 78 39 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027537DB2A00, 16 bytes long.
 Data: <P9&#219;7u           > 50 39 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027537DAC7D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000027537DB32C0, 16 bytes long.
 Data: <&#184;&#218;&#217;7u           > B8 DA D9 37 75 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027537DAEE30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000027537DB3590, 16 bytes long.
 Data: <&#144;&#218;&#217;7u           > 90 DA D9 37 75 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027537DB34F0, 16 bytes long.
 Data: <h&#218;&#217;7u           > 68 DA D9 37 75 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027537DB2FA0, 16 bytes long.
 Data: <@&#218;&#217;7u           > 40 DA D9 37 75 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027537DB3180, 16 bytes long.
 Data: < &#218;&#217;7u           > 18 DA D9 37 75 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027537DB3400, 16 bytes long.
 Data: <&#240;&#217;&#217;7u           > F0 D9 D9 37 75 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027537DB3220, 16 bytes long.
 Data: <&#200;&#217;&#217;7u           > C8 D9 D9 37 75 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027537DAEA10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000027537DB2AA0, 16 bytes long.
 Data: <&#160;&#217;&#217;7u           > A0 D9 D9 37 75 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027537D9D9A0, 320 bytes long.
 Data: <&#160;*&#219;7u    &#234;&#218;7u   > A0 2A DB 37 75 02 00 00 10 EA DA 37 75 02 00 00 
{272} normal block at 0x0000027537DB3130, 16 bytes long.
 Data: <09&#219;7u           > 30 39 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027537DB30E0, 16 bytes long.
 Data: < 9&#219;7u           > 08 39 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027537DAE410, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000027537DB3540, 16 bytes long.
 Data: <&#224;8&#219;7u           > E0 38 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027537DAE830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000027537DB2EB0, 16 bytes long.
 Data: <(8&#219;7u           > 28 38 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027537DB33B0, 16 bytes long.
 Data: < 8&#219;7u           > 00 38 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027537DB2730, 16 bytes long.
 Data: <&#216;7&#219;7u           > D8 37 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027537DB29B0, 16 bytes long.
 Data: <&#176;7&#219;7u           > B0 37 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027537DB31D0, 16 bytes long.
 Data: < 7&#219;7u           > 88 37 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027537DB28C0, 16 bytes long.
 Data: <`7&#219;7u           > 60 37 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027537DB3360, 16 bytes long.
 Data: <&#224;&#202;&#218;7u           > E0 CA DA 37 75 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027537DACAE0, 40 bytes long.
 Data: <`3&#219;7u   &#160;0&#144;9u   > 60 33 DB 37 75 02 00 00 A0 30 90 39 75 02 00 00 
{258} normal block at 0x0000027537DB3450, 16 bytes long.
 Data: <@7&#219;7u           > 40 37 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027537DB34A0, 16 bytes long.
 Data: < 7&#219;7u           > 18 37 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027537DAE770, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000027537DB2BE0, 16 bytes long.
 Data: <&#240;6&#219;7u           > F0 36 DB 37 75 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027537DB36F0, 992 bytes long.
 Data: <&#224;+&#219;7u   p&#231;&#218;7u   > E0 2B DB 37 75 02 00 00 70 E7 DA 37 75 02 00 00 
{90} normal block at 0x0000027537DAE950, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000027537DAAB00, 16 bytes long.
 Data: <`&#206;&#218;7u           > 60 CE DA 37 75 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000027537DACE60, 40 bytes long.
 Data: < &#171;&#218;7u   P&#233;&#218;7u   > 00 AB DA 37 75 02 00 00 50 E9 DA 37 75 02 00 00 
{67} normal block at 0x0000027537DAA790, 16 bytes long.
 Data: <&#128;&#234; &#215;&#246;           > 80 EA 99 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027537DAB0F0, 16 bytes long.
 Data: <@&#233; &#215;&#246;           > 40 E9 99 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027537DAB050, 16 bytes long.
 Data: <&#248;W&#150;&#215;&#246;           > F8 57 96 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027537DAB000, 16 bytes long.
 Data: <&#216;W&#150;&#215;&#246;           > D8 57 96 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027537DAAD30, 16 bytes long.
 Data: <P &#150;&#215;&#246;           > 50 04 96 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027537DAA9C0, 16 bytes long.
 Data: <0 &#150;&#215;&#246;           > 30 04 96 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027537DAAE70, 16 bytes long.
 Data: <&#224; &#150;&#215;&#246;           > E0 02 96 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027537DAB0A0, 16 bytes long.
 Data: <  &#150;&#215;&#246;           > 10 04 96 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027537DAA650, 16 bytes long.
 Data: <p &#150;&#215;&#246;           > 70 04 96 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027537DAAFB0, 16 bytes long.
 Data: < &#192;&#148;&#215;&#246;           > 18 C0 94 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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