Task 38582686
| Name | HIF2A_A34_A01_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND8136_0 |
| Workunit | 31546961 |
| Created | 13 Dec 2025, 9:38:15 UTC |
| Sent | 13 Dec 2025, 9:38:20 UTC |
| Report deadline | 18 Dec 2025, 9:38:20 UTC |
| Received | 13 Dec 2025, 17:50:33 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 592940 |
| Run time | 3 hours 13 min |
| CPU time | 3 hours 1 min 8 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,256.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 425.39 MB |
| Peak swap size | 4.93 GB |
| Peak disk usage | 4.34 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
13:26:37 (11348): wrapper (7.9.26016): starting
13:26:37 (11348): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A01_0.pdb
QB_A34_A01_0.xml
QB_A34_A01_equil.pdb
QB_A34_A01.inpcrd
QB_A34_A01_input.yaml
QB_A34_A01_mdlambda.pdb
QB_A34_A01_min.pdb
QB_A34_A01_npt.pdb
QB_A34_A01.pdb
QB_A34_A01.prmtop
QB_A34_A01_sys.xml
QB_A34_A01_therm.pdb
run.bat
run.sh
13:26:39 (11348): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:26:39 (11348): 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\24\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\24\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
Using cached setuptools-80.9.0-py3-none-any.whl.metadata (6.6 kB)
Collecting setuptools-scm>=8
Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/3d/ea/ac2bf868899d0d2e82ef72d350d97a846110c709bacf2d968431576ca915/setuptools_scm-9.2.2-py3-none-any.whl.metadata
Downloading setuptools_scm-9.2.2-py3-none-any.whl.metadata (7.7 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/20/12/38679034af332785aac8774540895e234f4d07f7545804097de4b666afd8/packaging-25.0-py3-none-any.whl.metadata
Using cached packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
Using cached setuptools-80.9.0-py3-none-any.whl (1.2 MB)
Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
Using cached packaging-25.0-py3-none-any.whl (66 kB)
Installing collected packages: setuptools, packaging, setuptools-scm
Creating C:\ProgramData\BOINC\slots\24\pip-build-env-9acgbzd0\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\24\pip-build-env-9acgbzd0\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\24\pip-build-env-9acgbzd0\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\24\pip-modern-metadata-_uswqgzc\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\24\pip-modern-metadata-_uswqgzc\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\24\pip-modern-metadata-_uswqgzc\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\24\pip-modern-metadata-_uswqgzc\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\24\pip-modern-metadata-_uswqgzc\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\24\pip-modern-metadata-_uswqgzc\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\24\pip-modern-metadata-_uswqgzc\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\24\pip-modern-metadata-_uswqgzc\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\24\pip-modern-metadata-_uswqgzc\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\24\pip-modern-metadata-_uswqgzc\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\24\pip-build-env-9acgbzd0\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\24\pip-wheel-tpdf1pmt\.tmp-0jadrn5e\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\24\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) : {3835187} normal block at 0x0000024F4A9CB940, 8 bytes long.
Data: < JO > 00 00 95 4A 4F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x0000024F4A9D5C70, 1080 bytes long.
Data: <D l > 44 07 00 00 CD CD CD CD 6C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024F4A9BF740, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:39:43 (12464): wrapper (7.9.26016): starting
13:39:43 (12464): 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\24\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x00000287DD109A70, 8 bytes long.
Data: < > 00 00 D1 DE 87 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000287DEC531E0, 1080 bytes long.
Data: < > C0 0E 00 00 CD CD CD CD D8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000287DD113820, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:44:50 (22684): wrapper (7.9.26016): starting
13:44:51 (22684): 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\24\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x0000023D57757070, 8 bytes long.
Data: < "Y= > 00 00 22 59 3D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x0000023D5921E920, 1080 bytes long.
Data: < P > C4 1B 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000023D577612B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:53:24 (23324): wrapper (7.9.26016): starting
13:53:24 (23324): 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\24\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x0000021CA1E26A30, 8 bytes long.
Data: < k > 00 00 6B A3 1C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x0000021CA3863FD0, 1080 bytes long.
Data: <h/ 8 > 68 2F 00 00 CD CD CD CD 38 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000021CA1E312B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:16:55 (20628): wrapper (7.9.26016): starting
14:16:55 (20628): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x0000019D14777340, 8 bytes long.
Data: < > 00 00 1B 16 9D 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x0000019D164073B0, 1080 bytes long.
Data: <$ > 24 0A 00 00 CD CD CD CD 88 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000019D147812B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:47:45 (3552): wrapper (7.9.26016): starting
14:47:45 (3552): 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\24\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x00000208D4E699F0, 8 bytes long.
Data: < > 00 00 E0 D4 08 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000208D690AAA0, 1080 bytes long.
Data: < 0 0 > 94 30 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000208D4E74240, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:58:03 (13064): wrapper (7.9.26016): starting
17:58:03 (13064): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x000002C064436C50, 8 bytes long.
Data: < e > 00 00 E0 65 C0 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x000002C0660F6A60, 1080 bytes long.
Data: <8 > 38 17 00 00 CD CD CD CD E0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002C0644426E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:03:45 (2848): wrapper (7.9.26016): starting
18:03:45 (2848): 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\24\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x000001DFB2D26670, 8 bytes long.
Data: < > 00 00 87 B4 DF 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x000001DFB4863FD0, 1080 bytes long.
Data: < J > C0 4A 00 00 CD CD CD CD DC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001DFB2D312B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:08:11 (7308): wrapper (7.9.26016): starting
18:08:11 (7308): 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\24\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x000001F061D368D0, 8 bytes long.
Data: < a > 00 00 D0 61 F0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x000001F063A32E80, 1080 bytes long.
Data: < . $ > 98 2E 00 00 CD CD CD CD 24 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F061D40B00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:14:18 (16920): wrapper (7.9.26016): starting
18:14:18 (16920): 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\24\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x00000203D25F7020, 8 bytes long.
Data: < ] > 00 00 5D D2 03 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000203D41173B0, 1080 bytes long.
Data: < - > AC 2D 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000203D26012B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:48:15 (12436): wrapper (7.9.26016): starting
18:48:15 (12436): 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\24\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\24\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\24\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\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\24\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\24\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\24\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'
18:48:36 (12436): C:/Windows/system32/cmd.exe exited; CPU time 19.640625
18:48:36 (12436): app exit status: 0x16
18:48:36 (12436): called boinc_finish(195)
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: 441659 bytes.
Dumping objects ->
{3849958} normal block at 0x000001D656507EC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849947} normal block at 0x000001D656508940, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849936} normal block at 0x000001D6565088D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849925} normal block at 0x000001D656508160, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849914} normal block at 0x000001D65490BAA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849883} normal block at 0x000001D6564AD130, 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) : {3849870} normal block at 0x000001D654906700, 8 bytes long.
Data: < ‹TÖ > 00 00 8B 54 D6 01 00 00
{3848638} normal block at 0x000001D6549073D0, 8 bytes long.
Data: <Àd\VÖ > C0 64 5C 56 D6 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001D6549126C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D6548FA870, 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 0x000001D6549140B0, 16 bytes long.
Data: <èI‘TÖ > E8 49 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D654913E80, 16 bytes long.
Data: <ÀI‘TÖ > C0 49 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D65490CEB0, 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 0x000001D654914560, 16 bytes long.
Data: < I‘TÖ > 98 49 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D654913D90, 16 bytes long.
Data: <pI‘TÖ > 70 49 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D654913BB0, 16 bytes long.
Data: <HI‘TÖ > 48 49 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D6549141F0, 16 bytes long.
Data: < I‘TÖ > 20 49 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D65490B8E0, 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 0x000001D654913B10, 16 bytes long.
Data: < 5‘TÖ > 98 35 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D65490D1B0, 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 0x000001D654913C50, 16 bytes long.
Data: <p5‘TÖ > 70 35 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D6549144C0, 16 bytes long.
Data: <H5‘TÖ > 48 35 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D654913AC0, 16 bytes long.
Data: < 5‘TÖ > 20 35 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D654913A20, 16 bytes long.
Data: <ø4‘TÖ > F8 34 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D6549139D0, 16 bytes long.
Data: <Ð4‘TÖ > D0 34 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D654913890, 16 bytes long.
Data: <¨4‘TÖ > A8 34 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D65490CD90, 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 0x000001D654913D40, 16 bytes long.
Data: < 4‘TÖ > 80 34 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D654913480, 320 bytes long.
Data: <@=‘TÖ Í TÖ > 40 3D 91 54 D6 01 00 00 90 CD 90 54 D6 01 00 00
{273} normal block at 0x000001D654913840, 16 bytes long.
Data: < I‘TÖ > 00 49 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D6549137A0, 16 bytes long.
Data: <ØH‘TÖ > D8 48 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D65490D510, 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 0x000001D654914060, 16 bytes long.
Data: <°H‘TÖ > B0 48 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D65490D5D0, 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 0x000001D6549137F0, 16 bytes long.
Data: <øG‘TÖ > F8 47 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D654913CA0, 16 bytes long.
Data: <ÐG‘TÖ > D0 47 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D654914010, 16 bytes long.
Data: <¨G‘TÖ > A8 47 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D6549141A0, 16 bytes long.
Data: < G‘TÖ > 80 47 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D654914380, 16 bytes long.
Data: <XG‘TÖ > 58 47 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D6549145B0, 16 bytes long.
Data: <0G‘TÖ > 30 47 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D654913750, 16 bytes long.
Data: <p¸ TÖ > 70 B8 90 54 D6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D65490B870, 40 bytes long.
Data: <P7‘TÖ 0ÑJVÖ > 50 37 91 54 D6 01 00 00 30 D1 4A 56 D6 01 00 00
{259} normal block at 0x000001D654914150, 16 bytes long.
Data: < G‘TÖ > 10 47 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D654914470, 16 bytes long.
Data: <èF‘TÖ > E8 46 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D65490D090, 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 0x000001D654913B60, 16 bytes long.
Data: <ÀF‘TÖ > C0 46 91 54 D6 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001D6549146C0, 992 bytes long.
Data: <`;‘TÖ Ð TÖ > 60 3B 91 54 D6 01 00 00 90 D0 90 54 D6 01 00 00
{91} normal block at 0x000001D65490CD30, 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 0x000001D654906C50, 16 bytes long.
Data: <@¶ TÖ > 40 B6 90 54 D6 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001D65490B640, 40 bytes long.
Data: <Pl TÖ 0Í TÖ > 50 6C 90 54 D6 01 00 00 30 CD 90 54 D6 01 00 00
{68} normal block at 0x000001D654907100, 16 bytes long.
Data: < ê¾T÷ > 80 EA BE 54 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D654906C00, 16 bytes long.
Data: <@é¾T÷ > 40 E9 BE 54 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D6549065C0, 16 bytes long.
Data: <øW»T÷ > F8 57 BB 54 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D654907420, 16 bytes long.
Data: <ØW»T÷ > D8 57 BB 54 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D654907060, 16 bytes long.
Data: <P »T÷ > 50 04 BB 54 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D654907010, 16 bytes long.
Data: <0 »T÷ > 30 04 BB 54 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D654906B60, 16 bytes long.
Data: <à »T÷ > E0 02 BB 54 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D654906FC0, 16 bytes long.
Data: < »T÷ > 10 04 BB 54 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D654906E80, 16 bytes long.
Data: <p »T÷ > 70 04 BB 54 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D654907510, 16 bytes long.
Data: < À¹T÷ > 18 C0 B9 54 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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