Task 38580401

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:52:46 (5712): wrapper (7.9.26016): starting
09:52:46 (5712): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A14_0.pdb
QB_A28_A14_0.xml
QB_A28_A14_equil.pdb
QB_A28_A14.inpcrd
QB_A28_A14_input.yaml
QB_A28_A14_mdlambda.pdb
QB_A28_A14_min.pdb
QB_A28_A14_npt.pdb
QB_A28_A14_out_merged_nowater.pdb
QB_A28_A14.pdb
QB_A28_A14.prmtop
QB_A28_A14_sys.xml
QB_A28_A14_therm.pdb
run.bat
run.sh
09:52:56 (5712): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:53:04 (5712): 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 'D:\BOINC_Data\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 D:\BOINC_Data\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
    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 10.0 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 D:\BOINC_Data\BOINC\slots\0\pip-build-env-d8qds5jp\overlay\Scripts
  Successfully installed packaging-25.0 setuptools-80.9.0 setuptools-scm-9.2.2
  Running command Getting requirements to build wheel
  D:\BOINC_Data\BOINC\slots\0\pip-build-env-d8qds5jp\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)
  D:\BOINC_Data\BOINC\slots\0\pip-build-env-d8qds5jp\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 D:\BOINC_Data\BOINC\slots\0\pip-modern-metadata-6i8ztl6u\atom_openmm.egg-info
  writing D:\BOINC_Data\BOINC\slots\0\pip-modern-metadata-6i8ztl6u\atom_openmm.egg-info\PKG-INFO
  writing dependency_links to D:\BOINC_Data\BOINC\slots\0\pip-modern-metadata-6i8ztl6u\atom_openmm.egg-info\dependency_links.txt
  writing entry points to D:\BOINC_Data\BOINC\slots\0\pip-modern-metadata-6i8ztl6u\atom_openmm.egg-info\entry_points.txt
  writing requirements to D:\BOINC_Data\BOINC\slots\0\pip-modern-metadata-6i8ztl6u\atom_openmm.egg-info\requires.txt
  writing top-level names to D:\BOINC_Data\BOINC\slots\0\pip-modern-metadata-6i8ztl6u\atom_openmm.egg-info\top_level.txt
  writing manifest file 'D:\BOINC_Data\BOINC\slots\0\pip-modern-metadata-6i8ztl6u\atom_openmm.egg-info\SOURCES.txt'
  listing git files failed - pretending there aren't any
  reading manifest file 'D:\BOINC_Data\BOINC\slots\0\pip-modern-metadata-6i8ztl6u\atom_openmm.egg-info\SOURCES.txt'
  reading manifest template 'MANIFEST.in'
  adding license file 'LICENSE'
  writing manifest file 'D:\BOINC_Data\BOINC\slots\0\pip-modern-metadata-6i8ztl6u\atom_openmm.egg-info\SOURCES.txt'
  creating 'D:\BOINC_Data\BOINC\slots\0\pip-modern-metadata-6i8ztl6u\atom_openmm-8.4.0.dist-info'
  Running command Building wheel for atom-openmm (pyproject.toml)
  D:\BOINC_Data\BOINC\slots\0\pip-build-env-d8qds5jp\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 'D:\BOINC_Data\BOINC\slots\0\pip-wheel-zs56w623\.tmp-trupjrr9\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 'D:\BOINC_Data\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) : {3835129} normal block at 0x000002283719BF20, 8 bytes long.
 Data: <   7(   > 00 00 14 37 28 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x000002283718F020, 1080 bytes long.
 Data: <|-              > 7C 2D 00 00 CD CD CD CD C4 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002283718FB60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
15:42:31 (7648): wrapper (7.9.26016): starting
15:42:31 (7648): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1477} normal block at 0x000001CB90501D90, 8 bytes long.
 Data: <        > 00 00 D8 91 CB 01 00 00 
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000001CB905044E0, 1080 bytes long.
 Data: <T&      L       > 54 26 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
19:59:14 (5724): wrapper (7.9.26016): starting
19:59:14 (5724): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1477} normal block at 0x000001DF3F922010, 8 bytes long.
 Data: <   ?    > 00 00 8F 3F DF 01 00 00 
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000001DF3F9244E0, 1080 bytes long.
 Data: <4J      D       > 34 4A 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
21:31:39 (13384): wrapper (7.9.26016): starting
21:31:39 (13384): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1477} normal block at 0x0000025036A925B0, 8 bytes long.
 Data: <   6P   > 00 00 A3 36 50 02 00 00 
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000025036A944E0, 1080 bytes long.
 Data: <        L       > 9C 12 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
23:34:03 (11396): wrapper (7.9.26016): starting
23:34:03 (11396): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1477} normal block at 0x000001C3D6272B50, 8 bytes long.
 Data: <  "     > 00 00 22 D6 C3 01 00 00 
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000001C3D62744E0, 1080 bytes long.
 Data: <        L       > E0 1F 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
01:36:06 (10872): wrapper (7.9.26016): starting
01:36:06 (10872): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1477} normal block at 0x000002784F444C10, 8 bytes long.
 Data: <   Px   > 00 00 CC 50 78 02 00 00 
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000002784F445540, 1080 bytes long.
 Data: < $      L       > FC 24 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
03:34:38 (15904): wrapper (7.9.26016): starting
03:34:38 (15904): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1477} normal block at 0x000001B4269E1F60, 8 bytes long.
 Data: <  9(    > 00 00 39 28 B4 01 00 00 
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000001B4269E44D0, 1080 bytes long.
 Data: <4J      L       > 34 4A 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
05:36:34 (8724): wrapper (7.9.26016): starting
05:36:34 (8724): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1477} normal block at 0x0000023C9D502730, 8 bytes long.
 Data: <    <   > 00 00 D8 9E 3C 02 00 00 
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000023C9D5044D0, 1080 bytes long.
 Data: <$N      D       > 24 4E 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 
Object dump complete.
07:38:12 (11680): wrapper (7.9.26016): starting
07:38:12 (11680): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Data\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "D:\BOINC_Data\BOINC\slots\0\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 "D:\BOINC_Data\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "D:\BOINC_Data\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "D:\BOINC_Data\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC_Data\BOINC\slots\0\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 "D:\BOINC_Data\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC_Data\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\BOINC_Data\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "D:\BOINC_Data\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "D:\BOINC_Data\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "D:\BOINC_Data\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
    stateid = self.status[repl]['stateid_current']
              ^^^^^^^^^^^
  File "D:\BOINC_Data\BOINC\slots\0\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'
07:38:52 (11680): C:/Windows/system32/cmd.exe exited; CPU time 7.656250
07:38:52 (11680): app exit status: 0x16
07:38:52 (11680): called boinc_finish(195)
0 bytes in 0 Free Blocks.
444 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: 304975 bytes.
Dumping objects ->
{1567} normal block at 0x0000021F8E74F620, 48 bytes long.
 Data: <PATH=D:\BOINC_Da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 61 
{1556} normal block at 0x0000021F8E74F380, 48 bytes long.
 Data: <HOME=D:\BOINC_Da> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 61 
{1545} normal block at 0x0000021F8E74DAE0, 32 bytes long.
 Data: <TMP=D:\BOINC_Dat> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 61 74 
{1534} normal block at 0x0000021F8E74F850, 48 bytes long.
 Data: <TEMP=D:\BOINC_Da> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 61 
{1523} normal block at 0x0000021F8E74F2A0, 48 bytes long.
 Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F 
{1492} normal block at 0x0000021F8E73D090, 64 bytes long.
 Data: <PATH=D:\BOINC_Da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 61 
{1481} normal block at 0x0000021F8E73CFE0, 102 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) : {1477} normal block at 0x0000021F8E7553D0, 8 bytes long.
 Data: <        > 00 00 10 90 1F 02 00 00 
{878} normal block at 0x0000021F8E73E690, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{303} normal block at 0x0000021F8E754F70, 8 bytes long.
 Data: < iu     > 10 69 75 8E 1F 02 00 00 
{294} normal block at 0x0000021F8E736220, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000021F8E755470, 16 bytes long.
 Data: < hu             > 18 68 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021F8E755380, 16 bytes long.
 Data: < gu             > F0 67 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021F8E74D540, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000021F8E7548E0, 16 bytes long.
 Data: < gu             > C8 67 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021F8E755290, 16 bytes long.
 Data: < gu             > A0 67 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021F8E754E80, 16 bytes long.
 Data: <xgu             > 78 67 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021F8E754D40, 16 bytes long.
 Data: <Pgu             > 50 67 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021F8E74F770, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000021F8E754BB0, 16 bytes long.
 Data: < as             > B8 61 73 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021F8E74D240, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000021F8E7547A0, 16 bytes long.
 Data: < as             > 90 61 73 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021F8E755240, 16 bytes long.
 Data: <has             > 68 61 73 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021F8E7551A0, 16 bytes long.
 Data: <@as             > 40 61 73 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021F8E754B60, 16 bytes long.
 Data: < as             > 18 61 73 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021F8E755100, 16 bytes long.
 Data: < `s             > F0 60 73 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021F8E755010, 16 bytes long.
 Data: < `s             > C8 60 73 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021F8E74DC60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000021F8E754A70, 16 bytes long.
 Data: < `s             > A0 60 73 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021F8E7360A0, 320 bytes long.
 Data: <pJu     ` t     > 70 4A 75 8E 1F 02 00 00 60 DC 74 8E 1F 02 00 00 
{273} normal block at 0x0000021F8E754750, 16 bytes long.
 Data: <0gu             > 30 67 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021F8E754B10, 16 bytes long.
 Data: < gu             > 08 67 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021F8E74D7E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000021F8E754700, 16 bytes long.
 Data: < fu             > E0 66 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021F8E74D900, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000021F8E754660, 16 bytes long.
 Data: <(fu             > 28 66 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021F8E754F20, 16 bytes long.
 Data: < fu             > 00 66 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021F8E754DE0, 16 bytes long.
 Data: < eu             > D8 65 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021F8E754AC0, 16 bytes long.
 Data: < eu             > B0 65 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021F8E754C50, 16 bytes long.
 Data: < eu             > 88 65 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021F8E754FC0, 16 bytes long.
 Data: <`eu             > 60 65 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021F8E754980, 16 bytes long.
 Data: <  t             > 90 F6 74 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021F8E74F690, 40 bytes long.
 Data: < Iu       s     > 80 49 75 8E 1F 02 00 00 90 D0 73 8E 1F 02 00 00 
{259} normal block at 0x0000021F8E754D90, 16 bytes long.
 Data: <@eu             > 40 65 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021F8E754C00, 16 bytes long.
 Data: < eu             > 18 65 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021F8E74D720, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000021F8E754CF0, 16 bytes long.
 Data: < du             > F0 64 75 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021F8E7564F0, 992 bytes long.
 Data: < Lu       t     > F0 4C 75 8E 1F 02 00 00 20 D7 74 8E 1F 02 00 00 
{91} normal block at 0x0000021F8E74E020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000021F8E7487F0, 16 bytes long.
 Data: <0 t             > 30 F2 74 8E 1F 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000021F8E74F230, 40 bytes long.
 Data: <  t       t     > F0 87 74 8E 1F 02 00 00 20 E0 74 8E 1F 02 00 00 
{68} normal block at 0x0000021F8E748570, 16 bytes long.
 Data: <                > 80 EA B2 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021F8E7488E0, 16 bytes long.
 Data: <@               > 40 E9 B2 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021F8E748890, 16 bytes long.
 Data: < W              > F8 57 AF EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021F8E748CA0, 16 bytes long.
 Data: < W              > D8 57 AF EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021F8E748840, 16 bytes long.
 Data: <P               > 50 04 AF EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021F8E7490B0, 16 bytes long.
 Data: <0               > 30 04 AF EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021F8E748A70, 16 bytes long.
 Data: <                > E0 02 AF EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021F8E748F70, 16 bytes long.
 Data: <                > 10 04 AF EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021F8E748C50, 16 bytes long.
 Data: <p               > 70 04 AF EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021F8E748CF0, 16 bytes long.
 Data: <                > 18 C0 AD EB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>

©2025 Universitat Pompeu Fabra