| 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 |
<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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