Task 38580369

Name JNK1_A24_A37_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND8752_0
Workunit 31545206
Created 11 Dec 2025, 14:30:14 UTC
Sent 11 Dec 2025, 14:30:22 UTC
Report deadline 16 Dec 2025, 14:30:22 UTC
Received 14 Dec 2025, 19:35:49 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 640939
Run time 1 days 9 hours 4 min 28 sec
CPU time 1 days 8 hours 25 min 26 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 53,155.79 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.36 MB
Peak swap size 13.02 GB
Peak disk usage 3.26 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann z�7� nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:31:09 (30472): wrapper (7.9.26016): starting
15:31:09 (30472): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A37_0.pdb
QB_A24_A37_0.xml
QB_A24_A37_equil.pdb
QB_A24_A37.inpcrd
QB_A24_A37_input.yaml
QB_A24_A37_mdlambda.pdb
QB_A24_A37_min.pdb
QB_A24_A37_npt.pdb
QB_A24_A37_out_merged_nowater.pdb
QB_A24_A37.pdb
QB_A24_A37.prmtop
QB_A24_A37_sys.xml
QB_A24_A37_therm.pdb
run.bat
run.sh
15:31:10 (30472): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:31:10 (30472): 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\5\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\5\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
    Using cached 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)
  Using cached 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\5\pip-build-env-em6goj3o\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\5\pip-build-env-em6goj3o\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\5\pip-build-env-em6goj3o\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\5\pip-modern-metadata-2fgyn2zv\atom_openmm.egg-info
  writing C:\ProgramData\BOINC\slots\5\pip-modern-metadata-2fgyn2zv\atom_openmm.egg-info\PKG-INFO
  writing dependency_links to C:\ProgramData\BOINC\slots\5\pip-modern-metadata-2fgyn2zv\atom_openmm.egg-info\dependency_links.txt
  writing entry points to C:\ProgramData\BOINC\slots\5\pip-modern-metadata-2fgyn2zv\atom_openmm.egg-info\entry_points.txt
  writing requirements to C:\ProgramData\BOINC\slots\5\pip-modern-metadata-2fgyn2zv\atom_openmm.egg-info\requires.txt
  writing top-level names to C:\ProgramData\BOINC\slots\5\pip-modern-metadata-2fgyn2zv\atom_openmm.egg-info\top_level.txt
  writing manifest file 'C:\ProgramData\BOINC\slots\5\pip-modern-metadata-2fgyn2zv\atom_openmm.egg-info\SOURCES.txt'
  listing git files failed - pretending there aren't any
  reading manifest file 'C:\ProgramData\BOINC\slots\5\pip-modern-metadata-2fgyn2zv\atom_openmm.egg-info\SOURCES.txt'
  reading manifest template 'MANIFEST.in'
  adding license file 'LICENSE'
  writing manifest file 'C:\ProgramData\BOINC\slots\5\pip-modern-metadata-2fgyn2zv\atom_openmm.egg-info\SOURCES.txt'
  creating 'C:\ProgramData\BOINC\slots\5\pip-modern-metadata-2fgyn2zv\atom_openmm-8.4.0.dist-info'
  Running command Building wheel for atom-openmm (pyproject.toml)
  C:\ProgramData\BOINC\slots\5\pip-build-env-em6goj3o\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\5\pip-wheel-p4wl2w9f\.tmp-btbgiy5o\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\5\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) : {3835482} normal block at 0x000001FE6E69DDC0, 8 bytes long.
 Data: <  gn    > 00 00 67 6E FE 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833976} normal block at 0x000001FE703D5050, 1080 bytes long.
 Data: < *              > B4 2A 00 00 CD CD CD CD 00 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001FE6E691950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
15:33:53 (2636): wrapper (7.9.26016): starting
15:33:53 (2636): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1817} normal block at 0x00000233BAC361A0, 8 bytes long.
 Data: <    3   > 00 00 BB BA 33 02 00 00 
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x00000233BAC37530, 1080 bytes long.
 Data: <                > C4 05 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
08:43:11 (5212): wrapper (7.9.26016): starting
08:43:11 (5212): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1821} normal block at 0x000002AFCC4B64F0, 8 bytes long.
 Data: <        > 00 00 9A CC AF 02 00 00 
..\lib\diagnostics_win.cpp(417) : {315} normal block at 0x000002AFCC4B76F0, 1080 bytes long.
 Data: < "              > E4 22 00 00 CD CD CD CD B8 01 00 00 00 00 00 00 
Object dump complete.
09:11:45 (29476): wrapper (7.9.26016): starting
09:11:45 (29476): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1819} normal block at 0x0000021B922562D0, 8 bytes long.
 Data: <  "     > 00 00 22 92 1B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {313} normal block at 0x0000021B92257430, 1080 bytes long.
 Data: <@s              > 40 73 00 00 CD CD CD CD B0 01 00 00 00 00 00 00 
Object dump complete.
08:25:41 (10224): wrapper (7.9.26016): starting
08:25:41 (10224): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1821} normal block at 0x0000021C46875C90, 8 bytes long.
 Data: <   F    > 00 00 84 46 1C 02 00 00 
..\lib\diagnostics_win.cpp(417) : {315} normal block at 0x0000021C46877020, 1080 bytes long.
 Data: <|               > 7C 10 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
09:26:08 (35028): wrapper (7.9.26016): starting
09:26:08 (35028): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1815} normal block at 0x000001EAC9FF6280, 8 bytes long.
 Data: <        > 00 00 FB C9 EA 01 00 00 
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001EAC9FF7340, 1080 bytes long.
 Data: <xb              > 78 62 00 00 CD CD CD CD C4 00 00 00 00 00 00 00 
Object dump complete.
14:02:19 (40436): wrapper (7.9.26016): starting
14:02:19 (40436): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1815} normal block at 0x0000020D4BFD5D50, 8 bytes long.
 Data: <  <L    > 00 00 3C 4C 0D 02 00 00 
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000020D4BFD6E10, 1080 bytes long.
 Data: <,               > 2C 9F 00 00 CD CD CD CD B0 01 00 00 00 00 00 00 
Object dump complete.
14:48:30 (37480): wrapper (7.9.26016): starting
14:48:30 (37480): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1815} normal block at 0x000001C3D9DD68D0, 8 bytes long.
 Data: <  )     > 00 00 29 DA C3 01 00 00 
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001C3D9DD71C0, 1080 bytes long.
 Data: < y              > 88 79 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
17:21:52 (32324): wrapper (7.9.26016): starting
17:21:52 (32324): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1821} normal block at 0x000001FB3ADA6FB0, 8 bytes long.
 Data: <   :    > 00 00 D1 3A FB 01 00 00 
..\lib\diagnostics_win.cpp(417) : {315} normal block at 0x000001FB3ADA7710, 1080 bytes long.
 Data: < s              > 90 73 00 00 CD CD CD CD B0 01 00 00 00 00 00 00 
Object dump complete.
20:34:37 (30872): wrapper (7.9.26016): starting
20:34:37 (30872): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
    replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
              ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\openmm\openmm.py", line 19618, in deserialize
    raise ValueError("Invalid input string")
ValueError: Invalid input string

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "C:\ProgramData\BOINC\slots\5\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
    stateid = self.status[repl]['stateid_current']
              ^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
    return object.__getattribute__(self,name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'status'
20:35:07 (30872): C:/Windows/system32/cmd.exe exited; CPU time 17.062500
20:35:07 (30872): app exit status: 0x16
20:35:07 (30872): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 507242 bytes.
Dumping objects ->
{1910} normal block at 0x0000022FCD762600, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1899} normal block at 0x0000022FCD762670, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1888} normal block at 0x0000022FCD7621A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1877} normal block at 0x0000022FCD7624B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1866} normal block at 0x0000022FCD762440, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1835} normal block at 0x0000022FCD74F480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1824} normal block at 0x0000022FCD74EE50, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {1821} normal block at 0x0000022FCD766F10, 8 bytes long.
 Data: <    /   > 00 00 B7 CD 2F 02 00 00 
{1045} normal block at 0x0000022FCD74ED80, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{316} normal block at 0x0000022FCD766970, 8 bytes long.
 Data: < wv /   > 10 77 76 CD 2F 02 00 00 
{307} normal block at 0x0000022FCD7520E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{306} normal block at 0x0000022FCD7664C0, 16 bytes long.
 Data: < vv /           > 18 76 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000022FCD766380, 16 bytes long.
 Data: < uv /           > F0 75 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000022FCD760540, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{303} normal block at 0x0000022FCD767230, 16 bytes long.
 Data: < uv /           > C8 75 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000022FCD7671E0, 16 bytes long.
 Data: < uv /           > A0 75 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000022FCD767190, 16 bytes long.
 Data: <xuv /           > 78 75 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022FCD7666A0, 16 bytes long.
 Data: <Puv /           > 50 75 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022FCD7626E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{298} normal block at 0x0000022FCD767050, 16 bytes long.
 Data: <x v /           > 78 1D 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022FCD760840, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{296} normal block at 0x0000022FCD766920, 16 bytes long.
 Data: <P v /           > 50 1D 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022FCD766FB0, 16 bytes long.
 Data: <( v /           > 28 1D 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022FCD766470, 16 bytes long.
 Data: <  v /           > 00 1D 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022FCD766D80, 16 bytes long.
 Data: <  v /           > D8 1C 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022FCD766F60, 16 bytes long.
 Data: <  v /           > B0 1C 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022FCD7670A0, 16 bytes long.
 Data: <  v /           > 88 1C 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022FCD760E40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{288} normal block at 0x0000022FCD766830, 16 bytes long.
 Data: <` v /           > 60 1C 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022FCD761C60, 320 bytes long.
 Data: <0hv /   @ v /   > 30 68 76 CD 2F 02 00 00 40 0E 76 CD 2F 02 00 00 
{286} normal block at 0x0000022FCD766330, 16 bytes long.
 Data: <0uv /           > 30 75 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022FCD766C40, 16 bytes long.
 Data: < uv /           > 08 75 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022FCD760420, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{283} normal block at 0x0000022FCD767000, 16 bytes long.
 Data: < tv /           > E0 74 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022FCD760720, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{281} normal block at 0x0000022FCD766BF0, 16 bytes long.
 Data: <(tv /           > 28 74 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022FCD767280, 16 bytes long.
 Data: < tv /           > 00 74 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022FCD766EC0, 16 bytes long.
 Data: < sv /           > D8 73 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022FCD766BA0, 16 bytes long.
 Data: < sv /           > B0 73 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022FCD766E70, 16 bytes long.
 Data: < sv /           > 88 73 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022FCD766B50, 16 bytes long.
 Data: <`sv /           > 60 73 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022FCD766B00, 16 bytes long.
 Data: < "v /           > 80 22 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022FCD762280, 40 bytes long.
 Data: < kv /     t /   > 00 6B 76 CD 2F 02 00 00 80 F4 74 CD 2F 02 00 00 
{272} normal block at 0x0000022FCD766790, 16 bytes long.
 Data: <@sv /           > 40 73 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022FCD766CE0, 16 bytes long.
 Data: < sv /           > 18 73 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022FCD760D20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{269} normal block at 0x0000022FCD7668D0, 16 bytes long.
 Data: < rv /           > F0 72 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022FCD7672F0, 992 bytes long.
 Data: < hv /     v /   > D0 68 76 CD 2F 02 00 00 20 0D 76 CD 2F 02 00 00 
{104} normal block at 0x0000022FCD760BA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{103} normal block at 0x0000022FCD759D60, 16 bytes long.
 Data: < "v /           > 10 22 76 CD 2F 02 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x0000022FCD762210, 40 bytes long.
 Data: <` u /     v /   > 60 9D 75 CD 2F 02 00 00 A0 0B 76 CD 2F 02 00 00 
{81} normal block at 0x0000022FCD759A90, 16 bytes long.
 Data: <  I             > 80 EA 49 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000022FCD75A210, 16 bytes long.
 Data: <@ I             > 40 E9 49 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000022FCD7598B0, 16 bytes long.
 Data: < WF             > F8 57 46 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000022FCD75A080, 16 bytes long.
 Data: < WF             > D8 57 46 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000022FCD759860, 16 bytes long.
 Data: <P F             > 50 04 46 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000022FCD75A670, 16 bytes long.
 Data: <0 F             > 30 04 46 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000022FCD75A350, 16 bytes long.
 Data: <  F             > E0 02 46 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000022FCD75A260, 16 bytes long.
 Data: <  F             > 10 04 46 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022FCD759F90, 16 bytes long.
 Data: <p F             > 70 04 46 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022FCD75A620, 16 bytes long.
 Data: <  D             > 18 C0 44 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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