Task 38580339

Name JNK1_A20_A16_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND7031_0
Workunit 31545184
Created 11 Dec 2025, 14:28:24 UTC
Sent 11 Dec 2025, 14:28:30 UTC
Report deadline 16 Dec 2025, 14:28:30 UTC
Received 18 Dec 2025, 12:09:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647108
Run time 2 days 18 hours 46 min 1 sec
CPU time 2 days 7 hours 54 min 5 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 8,187.11 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 901.73 MB
Peak swap size 6.79 GB
Peak disk usage 3.54 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:46:44 (17708): wrapper (7.9.26016): starting
17:46:44 (17708): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A16_0.pdb
QB_A20_A16_0.xml
QB_A20_A16_equil.pdb
QB_A20_A16.inpcrd
QB_A20_A16_input.yaml
QB_A20_A16_mdlambda.pdb
QB_A20_A16_min.pdb
QB_A20_A16_npt.pdb
QB_A20_A16_out_merged_nowater.pdb
QB_A20_A16.pdb
QB_A20_A16.prmtop
QB_A20_A16_sys.xml
QB_A20_A16_therm.pdb
run.bat
run.sh
17:47:00 (17708): Library/usr/bin/tar.exe exited; CPU time 0.156250
17:47:00 (17708): 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\16\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\16\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
    Downloading 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
    Downloading packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
  Downloading setuptools-80.9.0-py3-none-any.whl (1.2 MB)
     ---------------------------------------- 1.2/1.2 MB 4.3 MB/s eta 0:00:00
  Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
  Downloading packaging-25.0-py3-none-any.whl (66 kB)
  Installing collected packages: setuptools, packaging, setuptools-scm
    Creating C:\ProgramData\BOINC\slots\16\pip-build-env-big0jb5p\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\16\pip-build-env-big0jb5p\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\16\pip-build-env-big0jb5p\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\16\pip-modern-metadata-z38m0yqt\atom_openmm.egg-info
  writing C:\ProgramData\BOINC\slots\16\pip-modern-metadata-z38m0yqt\atom_openmm.egg-info\PKG-INFO
  writing dependency_links to C:\ProgramData\BOINC\slots\16\pip-modern-metadata-z38m0yqt\atom_openmm.egg-info\dependency_links.txt
  writing entry points to C:\ProgramData\BOINC\slots\16\pip-modern-metadata-z38m0yqt\atom_openmm.egg-info\entry_points.txt
  writing requirements to C:\ProgramData\BOINC\slots\16\pip-modern-metadata-z38m0yqt\atom_openmm.egg-info\requires.txt
  writing top-level names to C:\ProgramData\BOINC\slots\16\pip-modern-metadata-z38m0yqt\atom_openmm.egg-info\top_level.txt
  writing manifest file 'C:\ProgramData\BOINC\slots\16\pip-modern-metadata-z38m0yqt\atom_openmm.egg-info\SOURCES.txt'
  listing git files failed - pretending there aren't any
  reading manifest file 'C:\ProgramData\BOINC\slots\16\pip-modern-metadata-z38m0yqt\atom_openmm.egg-info\SOURCES.txt'
  reading manifest template 'MANIFEST.in'
  adding license file 'LICENSE'
  writing manifest file 'C:\ProgramData\BOINC\slots\16\pip-modern-metadata-z38m0yqt\atom_openmm.egg-info\SOURCES.txt'
  creating 'C:\ProgramData\BOINC\slots\16\pip-modern-metadata-z38m0yqt\atom_openmm-8.4.0.dist-info'
  Running command Building wheel for atom-openmm (pyproject.toml)
  C:\ProgramData\BOINC\slots\16\pip-build-env-big0jb5p\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\16\pip-wheel-2uglk1hq\.tmp-fb2pm6tn\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\16\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) : {3835116} normal block at 0x0000026AC9FAD1C0, 8 bytes long.
 Data: <    j   > 00 00 F3 C9 6A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000026AC9FDE9E0, 1080 bytes long.
 Data: < )              > 0C 29 00 00 CD CD CD CD F8 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000026AC9FA67A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
06:56:37 (11812): wrapper (7.9.26016): starting
06:56:37 (11812): 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\16\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) : {1461} normal block at 0x000002301B325C10, 8 bytes long.
 Data: <    0   > 00 00 DA 1C 30 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002301B326DC0, 1080 bytes long.
 Data: <HS              > 48 53 00 00 CD CD CD CD AC 01 00 00 00 00 00 00 
Object dump complete.
07:21:25 (27752): wrapper (7.9.26016): starting
07:21:25 (27752): 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\16\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) : {1461} normal block at 0x00000295FF0C6480, 8 bytes long.
 Data: <        > 00 00 07 FF 95 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000295FF0C6DC0, 1080 bytes long.
 Data: < l              > EC 6C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
07:25:45 (29096): wrapper (7.9.26016): starting
07:25:45 (29096): 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\16\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) : {1461} normal block at 0x0000020650DF6840, 8 bytes long.
 Data: <  'Q    > 00 00 27 51 06 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000020650DF6DC0, 1080 bytes long.
 Data: < p      \       > 20 70 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00 
Object dump complete.
05:18:08 (17024): wrapper (7.9.26016): starting
05:18:08 (17024): 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\16\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) : {1461} normal block at 0x000001DA85426400, 8 bytes long.
 Data: <  <     > 00 00 3C 85 DA 01 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001DA85424F40, 1080 bytes long.
 Data: <D;              > 44 3B 00 00 CD CD CD CD AC 01 00 00 00 00 00 00 
Object dump complete.
07:40:25 (33248): wrapper (7.9.26016): starting
07:40:25 (33248): 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\16\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
09:03:43 (25460): wrapper (7.9.26016): starting
09:03:43 (25460): 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\16\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) : {1459} normal block at 0x000001E7AD255880, 8 bytes long.
 Data: <  f     > 00 00 66 AD E7 01 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001E7AD256BC0, 1080 bytes long.
 Data: < u              > 84 75 00 00 CD CD CD CD BC 01 00 00 00 00 00 00 
Object dump complete.
10:28:25 (2820): wrapper (7.9.26016): starting
10:28:25 (2820): 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\16\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) : {1459} normal block at 0x0000025D55935220, 8 bytes long.
 Data: <   U]   > 00 00 C6 55 5D 02 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000025D559361F0, 1080 bytes long.
 Data: <h               > 68 05 00 00 CD CD CD CD B0 01 00 00 00 00 00 00 
Object dump complete.
10:01:56 (24492): wrapper (7.9.26016): starting
10:01:56 (24492): 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\16\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) : {1459} normal block at 0x00000239C7915BD0, 8 bytes long.
 Data: <    9   > 00 00 8D C7 39 02 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000239C7916C40, 1080 bytes long.
 Data: < {              > BC 7B 00 00 CD CD CD CD B0 01 00 00 00 00 00 00 
Object dump complete.
11:40:28 (31940): wrapper (7.9.26016): starting
11:40:28 (31940): 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\16\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
09:02:57 (31940): C:/Windows/system32/cmd.exe exited; CPU time 54872.171875
09:02:57 (31940): 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: 1402467997 bytes.
Dumping objects ->
{1547} normal block at 0x000001BD02C65260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1536} normal block at 0x000001BD02C64F50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1525} normal block at 0x000001BD02C65180, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1514} normal block at 0x000001BD02C64FC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1503} normal block at 0x000001BD02C65110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1472} normal block at 0x000001BD02C4F2A0, 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) : {1459} normal block at 0x000001BD02C65CE0, 8 bytes long.
 Data: <        > 00 00 10 03 BD 01 00 00 
{304} normal block at 0x000001BD02C66370, 8 bytes long.
 Data: < k      > C0 6B C6 02 BD 01 00 00 
{295} normal block at 0x000001BD02C51F40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001BD02C66690, 16 bytes long.
 Data: < j              > C8 6A C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BD02C662D0, 16 bytes long.
 Data: < j              > A0 6A C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BD02C61410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001BD02C66550, 16 bytes long.
 Data: <xj              > 78 6A C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BD02C66000, 16 bytes long.
 Data: <Pj              > 50 6A C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BD02C65F60, 16 bytes long.
 Data: <(j              > 28 6A C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BD02C66410, 16 bytes long.
 Data: < j              > 00 6A C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BD02C652D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001BD02C66280, 16 bytes long.
 Data: <8               > 38 07 C5 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BD02C610B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001BD02C661E0, 16 bytes long.
 Data: <                > 10 07 C5 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BD02C66140, 16 bytes long.
 Data: <                > E8 06 C5 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BD02C66190, 16 bytes long.
 Data: <                > C0 06 C5 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BD02C66320, 16 bytes long.
 Data: <                > 98 06 C5 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BD02C65AB0, 16 bytes long.
 Data: <p               > 70 06 C5 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BD02C66640, 16 bytes long.
 Data: <H               > 48 06 C5 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BD02C612F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001BD02C65970, 16 bytes long.
 Data: <                > 20 06 C5 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BD02C50620, 320 bytes long.
 Data: <pY              > 70 59 C6 02 BD 01 00 00 F0 12 C6 02 BD 01 00 00 
{274} normal block at 0x000001BD02C65B50, 16 bytes long.
 Data: < i              > E0 69 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BD02C66730, 16 bytes long.
 Data: < i              > B8 69 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BD02C61470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001BD02C66500, 16 bytes long.
 Data: < i              > 90 69 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BD02C61590, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001BD02C65F10, 16 bytes long.
 Data: < h              > D8 68 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BD02C66230, 16 bytes long.
 Data: < h              > B0 68 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BD02C658D0, 16 bytes long.
 Data: < h              > 88 68 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BD02C664B0, 16 bytes long.
 Data: <`h              > 60 68 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BD02C65FB0, 16 bytes long.
 Data: <8h              > 38 68 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BD02C657E0, 16 bytes long.
 Data: < h              > 10 68 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BD02C660F0, 16 bytes long.
 Data: < P              > A0 50 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BD02C650A0, 40 bytes long.
 Data: < `              > F0 60 C6 02 BD 01 00 00 A0 F2 C4 02 BD 01 00 00 
{260} normal block at 0x000001BD02C65EC0, 16 bytes long.
 Data: < g              > F0 67 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BD02C659C0, 16 bytes long.
 Data: < g              > C8 67 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BD02C616B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001BD02C665A0, 16 bytes long.
 Data: < g              > A0 67 C6 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001BD02C667A0, 992 bytes long.
 Data: < e              > A0 65 C6 02 BD 01 00 00 B0 16 C6 02 BD 01 00 00 
{92} normal block at 0x000001BD02C61D70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001BD02C5D1F0, 16 bytes long.
 Data: <                > 10 8D C4 02 BD 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001BD02C48D10, 40 bytes long.
 Data: <        p       > F0 D1 C5 02 BD 01 00 00 70 1D C6 02 BD 01 00 00 
{69} normal block at 0x000001BD02C5DD30, 16 bytes long.
 Data: <  y             > 80 EA 79 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BD02C5D5B0, 16 bytes long.
 Data: <@ y             > 40 E9 79 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BD02C5D420, 16 bytes long.
 Data: < Wv             > F8 57 76 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BD02C5DF10, 16 bytes long.
 Data: < Wv             > D8 57 76 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BD02C5D8D0, 16 bytes long.
 Data: <P v             > 50 04 76 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BD02C5DE20, 16 bytes long.
 Data: <0 v             > 30 04 76 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BD02C5DB00, 16 bytes long.
 Data: <  v             > E0 02 76 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BD02C5D510, 16 bytes long.
 Data: <  v             > 10 04 76 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BD02C5DDD0, 16 bytes long.
 Data: <p v             > 70 04 76 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BD02C5D880, 16 bytes long.
 Data: <  t             > 18 C0 74 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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