Task 38582012
| Name | PFKFB3_A27_A21_r0_2-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND8578_0 |
| Workunit | 31546387 |
| Created | 12 Dec 2025, 19:08:26 UTC |
| Sent | 12 Dec 2025, 19:08:28 UTC |
| Report deadline | 17 Dec 2025, 19:08:28 UTC |
| Received | 13 Dec 2025, 15:51:26 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 627530 |
| Run time | 1 hours 13 min 12 sec |
| CPU time | 50 min 39 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 48,744.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 776.42 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 4.61 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:44:46 (16348): wrapper (7.9.26016): starting
14:44:46 (16348): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A21_0.pdb
QB_A27_A21_0.xml
QB_A27_A21_equil.pdb
QB_A27_A21.inpcrd
QB_A27_A21_input.yaml
QB_A27_A21_mdlambda.pdb
QB_A27_A21_min.pdb
QB_A27_A21_npt.pdb
QB_A27_A21.pdb
QB_A27_A21.prmtop
QB_A27_A21_sys.xml
QB_A27_A21_therm.pdb
run.bat
run.sh
14:44:49 (16348): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:44:49 (16348): 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\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 C:\ProgramData\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
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\0\pip-build-env-xxext4w7\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\0\pip-build-env-xxext4w7\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\0\pip-build-env-xxext4w7\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\0\pip-modern-metadata-_9u4dg_e\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_9u4dg_e\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_9u4dg_e\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_9u4dg_e\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_9u4dg_e\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_9u4dg_e\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_9u4dg_e\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_9u4dg_e\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_9u4dg_e\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_9u4dg_e\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\0\pip-build-env-xxext4w7\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\0\pip-wheel-6o6s7w25\.tmp-ldyo3_0w\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\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) : {3835187} normal block at 0x000001A3D268AAF0, 8 bytes long.
Data: < > 00 00 0B D4 A3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000001A3D42B47B0, 1080 bytes long.
Data: < > F4 0C 00 00 CD CD CD CD E0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001A3D267F080, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:36:30 (31224): wrapper (7.9.26016): starting
15:36:30 (31224): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x000001F6C1EBB2F0, 8 bytes long.
Data: < x > 00 00 78 C3 F6 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x000001F6C3BB6070, 1080 bytes long.
Data: <$D > 24 44 00 00 CD CD CD CD 04 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001F6C1EAF300, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:42:55 (21068): wrapper (7.9.26016): starting
15:42:55 (21068): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x0000027E5E5EB2A0, 8 bytes long.
Data: < _~ > 00 00 ED 5F 7E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000027E602A6810, 1080 bytes long.
Data: < ( > 14 28 00 00 CD CD CD CD BC 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000027E5E5DEF40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:23:44 (15056): wrapper (7.9.26016): starting
16:23:44 (15056): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x000002110E47AD00, 8 bytes long.
Data: < > 00 00 EC 0F 11 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000021110276810, 1080 bytes long.
Data: < Z > 0C 5A 00 00 CD CD CD CD F8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002110E46F330, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:40:07 (20288): wrapper (7.9.26016): starting
16:40:07 (20288): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x00000227336BB9C0, 8 bytes long.
Data: < 5' > 00 00 15 35 27 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x00000227353E2AB0, 1080 bytes long.
Data: < O > 20 4F 00 00 CD CD CD CD E0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000227336AF820, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:44:25 (3988): wrapper (7.9.26016): starting
17:44:25 (3988): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x0000028E6B8DA790, 8 bytes long.
Data: < k > 00 00 88 6B 8E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000028E6D5C8810, 1080 bytes long.
Data: <({ > 28 7B 00 00 CD CD CD CD E0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000028E6B8CF310, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:53:34 (31764): wrapper (7.9.26016): starting
17:53:34 (31764): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x0000011C1D16BA20, 8 bytes long.
Data: < > 00 00 AC 1E 1C 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000011C1D172EE0, 1080 bytes long.
Data: <x/ > 78 2F 00 00 CD CD CD CD D8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000011C1D160150, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:28:59 (13136): wrapper (7.9.26016): starting
21:28:59 (13136): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x000002847668B450, 8 bytes long.
Data: < x > 00 00 00 78 84 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x00000284781A0D20, 1080 bytes long.
Data: <\b > 5C 62 00 00 CD CD CD CD B8 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002847667FE10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:39:44 (27936): wrapper (7.9.26016): starting
21:39:44 (27936): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x00000182250CA8C0, 8 bytes long.
Data: < & > 00 00 F3 26 82 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000018226EE6810, 1080 bytes long.
Data: <P > 50 1D 00 00 CD CD CD CD DC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000182250BF580, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:58:49 (16324): wrapper (7.9.26016): starting
21:58:49 (16324): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849870} normal block at 0x0000024E276FAE60, 8 bytes long.
Data: < )N > 00 00 19 29 4E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848633} normal block at 0x0000024E29556810, 1080 bytes long.
Data: <pT > 70 54 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000024E276EF300, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:27:03 (1360): wrapper (7.9.26016): starting
10:27:03 (1360): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849866} normal block at 0x000002136538AC50, 8 bytes long.
Data: < f > 00 00 CE 66 13 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848629} normal block at 0x0000021367048090, 1080 bytes long.
Data: < 5 > 88 35 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002136537EC10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:49:33 (7428): wrapper (7.9.26016): starting
10:49:33 (7428): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\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 "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\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 "C:\ProgramData\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'
10:50:03 (7428): C:/Windows/system32/cmd.exe exited; CPU time 16.468750
10:50:03 (7428): app exit status: 0x16
10:50:03 (7428): 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: 422430 bytes.
Dumping objects ->
{3849954} normal block at 0x0000022B12DDBA70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849943} normal block at 0x0000022B12DDBB50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849932} normal block at 0x0000022B12DDBDF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849921} normal block at 0x0000022B12D937D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849910} normal block at 0x0000022B12D93920, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849879} normal block at 0x0000022B14A16B00, 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) : {3849866} normal block at 0x0000022B12D8BC90, 8 bytes long.
Data: < Ô + > 00 00 D4 12 2B 02 00 00
{3848630} normal block at 0x0000022B12D8BAB0, 8 bytes long.
Data: <`\§ + > 60 5C A7 14 2B 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000022B12D96D50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022B12D7FEF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x0000022B12D94F70, 16 bytes long.
Data: < _Ù + > 88 5F D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022B12D94D90, 16 bytes long.
Data: <`_Ù + > 60 5F D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022B12D8E080, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x0000022B12D94F20, 16 bytes long.
Data: <8_Ù + > 38 5F D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022B12D95060, 16 bytes long.
Data: < _Ù + > 10 5F D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022B12D95B00, 16 bytes long.
Data: <è^Ù + > E8 5E D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022B12D95470, 16 bytes long.
Data: <À^Ù + > C0 5E D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022B12D93680, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x0000022B12D94E80, 16 bytes long.
Data: <¨ç× + > A8 E7 D7 12 2B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022B12D8E740, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x0000022B12D955B0, 16 bytes long.
Data: < ç× + > 80 E7 D7 12 2B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022B12D95010, 16 bytes long.
Data: <Xç× + > 58 E7 D7 12 2B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022B12D94D40, 16 bytes long.
Data: <0ç× + > 30 E7 D7 12 2B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022B12D951F0, 16 bytes long.
Data: < ç× + > 08 E7 D7 12 2B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022B12D95330, 16 bytes long.
Data: <àæ× + > E0 E6 D7 12 2B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022B12D94CF0, 16 bytes long.
Data: <¸æ× + > B8 E6 D7 12 2B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022B12D8E5C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000022B12D958D0, 16 bytes long.
Data: < æ× + > 90 E6 D7 12 2B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022B12D7E690, 320 bytes long.
Data: <ÐXÙ + ÀåØ + > D0 58 D9 12 2B 02 00 00 C0 E5 D8 12 2B 02 00 00
{269} normal block at 0x0000022B12D95600, 16 bytes long.
Data: < ^Ù + > A0 5E D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022B12D94CA0, 16 bytes long.
Data: <x^Ù + > 78 5E D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022B12D8E680, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x0000022B12D959C0, 16 bytes long.
Data: <P^Ù + > 50 5E D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022B12D8EF20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x0000022B12D95560, 16 bytes long.
Data: < ]Ù + > 98 5D D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022B12D94DE0, 16 bytes long.
Data: <p]Ù + > 70 5D D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022B12D95100, 16 bytes long.
Data: <H]Ù + > 48 5D D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022B12D95BF0, 16 bytes long.
Data: < ]Ù + > 20 5D D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022B12D95650, 16 bytes long.
Data: <ø\Ù + > F8 5C D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022B12D95290, 16 bytes long.
Data: <Ð\Ù + > D0 5C D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000022B12D951A0, 16 bytes long.
Data: <@8Ù + > 40 38 D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000022B12D93840, 40 bytes long.
Data: < QÙ + k¡ + > A0 51 D9 12 2B 02 00 00 00 6B A1 14 2B 02 00 00
{255} normal block at 0x0000022B12D95150, 16 bytes long.
Data: <°\Ù + > B0 5C D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000022B12D952E0, 16 bytes long.
Data: < \Ù + > 88 5C D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000022B12D8EEC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000022B12D95B50, 16 bytes long.
Data: <`\Ù + > 60 5C D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000022B12D95C60, 992 bytes long.
Data: <P[Ù + ÀîØ + > 50 5B D9 12 2B 02 00 00 C0 EE D8 12 2B 02 00 00
{87} normal block at 0x0000022B12D8EDA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000022B12D8B4C0, 16 bytes long.
Data: < 5Ù + > A0 35 D9 12 2B 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000022B12D935A0, 40 bytes long.
Data: <À´Ø +  íØ + > C0 B4 D8 12 2B 02 00 00 A0 ED D8 12 2B 02 00 00
{64} normal block at 0x0000022B12D8BBF0, 16 bytes long.
Data: < êÒ ö > 80 EA D2 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022B12D8B470, 16 bytes long.
Data: <@éÒ ö > 40 E9 D2 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022B12D8BBA0, 16 bytes long.
Data: <øWÏ ö > F8 57 CF 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022B12D8BA60, 16 bytes long.
Data: <ØWÏ ö > D8 57 CF 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000022B12D8B240, 16 bytes long.
Data: <P Ï ö > 50 04 CF 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000022B12D8B100, 16 bytes long.
Data: <0 Ï ö > 30 04 CF 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000022B12D8B740, 16 bytes long.
Data: <à Ï ö > E0 02 CF 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000022B12D8B790, 16 bytes long.
Data: < Ï ö > 10 04 CF 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000022B12D8B1F0, 16 bytes long.
Data: <p Ï ö > 70 04 CF 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000022B12D8B1A0, 16 bytes long.
Data: < ÀÍ ö > 18 C0 CD 8D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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