Task 38580350
| Name | JNK1_A20_A33_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND1241_0 |
| Workunit | 31545194 |
| Created | 11 Dec 2025, 14:29:14 UTC |
| Sent | 11 Dec 2025, 14:29:26 UTC |
| Report deadline | 16 Dec 2025, 14:29:26 UTC |
| Received | 12 Dec 2025, 9:51:23 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 627975 |
| Run time | 14 hours 38 min 31 sec |
| CPU time | 5 hours 52 min 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 34,105.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 683.15 MB |
| Peak swap size | 8.50 GB |
| Peak disk usage | 4.49 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:39:30 (313504): wrapper (7.9.26016): starting
09:39:30 (313504): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A33_0.pdb
QB_A20_A33_0.xml
QB_A20_A33_equil.pdb
QB_A20_A33.inpcrd
QB_A20_A33_input.yaml
QB_A20_A33_mdlambda.pdb
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835304} normal block at 0x00000252E843DAA0, 8 bytes long.
Data: < R > 00 00 9A E8 52 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833955} normal block at 0x00000252EA279350, 1080 bytes long.
Data: < > B8 D2 04 00 CD CD CD CD C8 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000252E84348D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:11:08 (168172): wrapper (7.9.26016): starting
10:11:09 (168172): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A33_0.pdb
QB_A20_A33_0.xml
QB_A20_A33_equil.pdb
QB_A20_A33.inpcrd
QB_A20_A33_input.yaml
QB_A20_A33_mdlambda.pdb
QB_A20_A33_min.pdb
QB_A20_A33_npt.pdb
QB_A20_A33_out_merged_nowater.pdb
QB_A20_A33.pdb
QB_A20_A33.prmtop
QB_A20_A33_sys.xml
QB_A20_A33_therm.pdb
run.bat
run.sh
10:11:15 (168172): Library/usr/bin/tar.exe exited; CPU time 0.125000
10:11:15 (168172): 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_GRC\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_GRC\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_GRC\slots\0\pip-build-env-r0g_4rp2\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_GRC\slots\0\pip-build-env-r0g_4rp2\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_GRC\slots\0\pip-build-env-r0g_4rp2\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_GRC\slots\0\pip-modern-metadata-4ryayfi9\atom_openmm.egg-info
writing C:\ProgramData\BOINC_GRC\slots\0\pip-modern-metadata-4ryayfi9\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC_GRC\slots\0\pip-modern-metadata-4ryayfi9\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC_GRC\slots\0\pip-modern-metadata-4ryayfi9\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC_GRC\slots\0\pip-modern-metadata-4ryayfi9\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC_GRC\slots\0\pip-modern-metadata-4ryayfi9\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC_GRC\slots\0\pip-modern-metadata-4ryayfi9\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC_GRC\slots\0\pip-modern-metadata-4ryayfi9\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC_GRC\slots\0\pip-modern-metadata-4ryayfi9\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC_GRC\slots\0\pip-modern-metadata-4ryayfi9\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC_GRC\slots\0\pip-build-env-r0g_4rp2\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_GRC\slots\0\pip-wheel-3qdst0a9\.tmp-l3_byej1\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_GRC\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) : {3849986} normal block at 0x0000026961A5DBD0, 8 bytes long.
Data: < ai > 00 00 9D 61 69 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848637} normal block at 0x00000269638445F0, 1080 bytes long.
Data: <$ > 24 CB 04 00 CD CD CD CD BC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000026961A50750, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:50:17 (314176): wrapper (7.9.26016): starting
10:50:17 (314176): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x000002348511DB20, 8 bytes long.
Data: < 4 > 00 00 BB 86 34 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x0000023486EF4D90, 1080 bytes long.
Data: << ( > 3C 9C 04 00 CD CD CD CD 28 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000023485110640, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:03:12 (286032): wrapper (7.9.26016): starting
15:03:12 (286032): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x0000026713F5D070, 8 bytes long.
Data: < g > 00 00 EC 13 67 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x0000026715D14C50, 1080 bytes long.
Data: <D d > 44 D2 04 00 CD CD CD CD 64 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000026713F50730, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:49:13 (38472): wrapper (7.9.26016): starting
15:49:13 (38472): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x00000296605AD770, 8 bytes long.
Data: < ` > 00 00 C0 60 96 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x00000296624345F0, 1080 bytes long.
Data: <8 H > 38 D5 04 00 CD CD CD CD 48 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000296605A0C50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:47:17 (316764): wrapper (7.9.26016): starting
16:47:18 (316764): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x00000234D62AD740, 8 bytes long.
Data: < $ 4 > 00 00 24 D6 34 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x00000234D629DB20, 1080 bytes long.
Data: <p > 70 C3 04 00 CD CD CD CD 10 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000234D62A0FF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:47:36 (8692): wrapper (7.9.26016): starting
17:47:37 (8692): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x00000183C0A8D090, 8 bytes long.
Data: < > 00 00 02 C1 83 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x00000183C2924A40, 1080 bytes long.
Data: < n > C0 6E 00 00 CD CD CD CD 88 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000183C0A80580, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:47:37 (48836): wrapper (7.9.26016): starting
19:47:37 (48836): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x0000023B7CE2CF90, 8 bytes long.
Data: < |; > 00 00 D8 7C 3B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x0000023B7EB34290, 1080 bytes long.
Data: < > 80 CF 04 00 CD CD CD CD 98 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000023B7CE1FEB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:02:49 (318288): wrapper (7.9.26016): starting
21:02:49 (318288): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x0000024987A6D8F0, 8 bytes long.
Data: < I > 00 00 E3 87 49 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x00000249897245F0, 1080 bytes long.
Data: <D > 44 88 00 00 CD CD CD CD EC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000024987A5FEE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:10:32 (263592): wrapper (7.9.26016): starting
22:10:32 (263592): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x0000023600BEDB00, 8 bytes long.
Data: < 6 > 00 00 B6 00 36 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x0000023600CCDB30, 1080 bytes long.
Data: <p > 70 DA 04 00 CD CD CD CD DC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000023600BE0C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
00:20:33 (137668): wrapper (7.9.26016): starting
00:20:36 (137668): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x00000190B7B5D530, 8 bytes long.
Data: < > 00 00 B3 B7 90 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x00000190B99C7300, 1080 bytes long.
Data: <p > 70 D8 04 00 CD CD CD CD 8C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000190B7B4FEB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
02:08:26 (316400): wrapper (7.9.26016): starting
02:08:26 (316400): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x000001966395CC50, 8 bytes long.
Data: < c > 00 00 93 63 96 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x00000196656A4290, 1080 bytes long.
Data: <d > 64 D8 04 00 CD CD CD CD 1C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000019663950890, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
03:47:05 (319260): wrapper (7.9.26016): starting
03:47:05 (319260): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849987} normal block at 0x000002F50AC9D2A0, 8 bytes long.
Data: < > 00 00 C1 0A F5 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848638} normal block at 0x000002F50CAF36C0, 1080 bytes long.
Data: < | > 08 D8 02 00 CD CD CD CD 7C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002F50AC909F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
04:47:27 (296200): wrapper (7.9.26016): starting
04:47:27 (296200): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC_GRC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC_GRC\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_GRC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC_GRC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC_GRC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC_GRC\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_GRC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC_GRC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC_GRC\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_GRC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC_GRC\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_GRC\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_GRC\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'
04:49:28 (296200): C:/Windows/system32/cmd.exe exited; CPU time 40.828125
04:49:28 (296200): app exit status: 0x16
04:49:28 (296200): called boinc_finish(195)
0 bytes in 0 Free Blocks.
554 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: 1624302 bytes.
Dumping objects ->
{3850077} normal block at 0x000001BDF4BD8E80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850066} normal block at 0x000001BDF4C65D40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850055} normal block at 0x000001BDF2EC4510, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3850044} normal block at 0x000001BDF2EC4580, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850033} normal block at 0x000001BDF2EC4C10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3850002} normal block at 0x000001BDF4BD9680, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849991} normal block at 0x000001BDF2F1BD90, 141 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) : {3849987} normal block at 0x000001BDF2EBCEE0, 8 bytes long.
Data: < éò½ > 00 00 E9 F2 BD 01 00 00
{3849306} normal block at 0x000001BDF2F1C410, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3848639} normal block at 0x000001BDF2EBD930, 8 bytes long.
Data: <@Öêò½ > 40 D6 EA F2 BD 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001BDF2EB0940, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BDF2EB15E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001BDF2EC5850, 16 bytes long.
Data: <¸eìò½ > B8 65 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BDF2EC5E40, 16 bytes long.
Data: < eìò½ > 90 65 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BDF2EC0030, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001BDF2EC5710, 16 bytes long.
Data: <heìò½ > 68 65 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BDF2EC5AD0, 16 bytes long.
Data: <@eìò½ > 40 65 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BDF2EC5DA0, 16 bytes long.
Data: < eìò½ > 18 65 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BDF2EC6070, 16 bytes long.
Data: <ðdìò½ > F0 64 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BDF2EC4740, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001BDF2EC5D50, 16 bytes long.
Data: <Hÿêò½ > 48 FF EA F2 BD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BDF2EBF3D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001BDF2EC5F30, 16 bytes long.
Data: < ÿêò½ > 20 FF EA F2 BD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BDF2EC5CB0, 16 bytes long.
Data: <øþêò½ > F8 FE EA F2 BD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BDF2EC5580, 16 bytes long.
Data: <Ðþêò½ > D0 FE EA F2 BD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BDF2EC5210, 16 bytes long.
Data: <¨þêò½ > A8 FE EA F2 BD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BDF2EC5760, 16 bytes long.
Data: < þêò½ > 80 FE EA F2 BD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BDF2EC5490, 16 bytes long.
Data: <Xþêò½ > 58 FE EA F2 BD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BDF2EBF730, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001BDF2EC5B20, 16 bytes long.
Data: <0þêò½ > 30 FE EA F2 BD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BDF2EAFE30, 320 bytes long.
Data: < [ìò½ 0÷ëò½ > 20 5B EC F2 BD 01 00 00 30 F7 EB F2 BD 01 00 00
{271} normal block at 0x000001BDF2EC53F0, 16 bytes long.
Data: <Ðdìò½ > D0 64 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BDF2EC56C0, 16 bytes long.
Data: <¨dìò½ > A8 64 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BDF2EBFFD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001BDF2EC5C60, 16 bytes long.
Data: < dìò½ > 80 64 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BDF2EBF550, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001BDF2EC5530, 16 bytes long.
Data: <Ècìò½ > C8 63 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BDF2EC6020, 16 bytes long.
Data: < cìò½ > A0 63 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BDF2EC5300, 16 bytes long.
Data: <xcìò½ > 78 63 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BDF2EC53A0, 16 bytes long.
Data: <Pcìò½ > 50 63 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BDF2EC5D00, 16 bytes long.
Data: <(cìò½ > 28 63 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BDF2EC51C0, 16 bytes long.
Data: < cìò½ > 00 63 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BDF2EC54E0, 16 bytes long.
Data: <PJìò½ > 50 4A EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BDF2EC4A50, 40 bytes long.
Data: <àTìò½ –½ô½ > E0 54 EC F2 BD 01 00 00 80 96 BD F4 BD 01 00 00
{257} normal block at 0x000001BDF2EC5440, 16 bytes long.
Data: <àbìò½ > E0 62 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BDF2EC5BC0, 16 bytes long.
Data: <¸bìò½ > B8 62 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BDF2EBFF70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001BDF2EC5350, 16 bytes long.
Data: < bìò½ > 90 62 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001BDF2EC6290, 992 bytes long.
Data: <PSìò½ pÿëò½ > 50 53 EC F2 BD 01 00 00 70 FF EB F2 BD 01 00 00
{89} normal block at 0x000001BDF2EBF5B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001BDF2EBD8E0, 16 bytes long.
Data: < Hìò½ > 90 48 EC F2 BD 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001BDF2EC4890, 40 bytes long.
Data: <àØëò½ °õëò½ > E0 D8 EB F2 BD 01 00 00 B0 F5 EB F2 BD 01 00 00
{66} normal block at 0x000001BDF2EBDA70, 16 bytes long.
Data: < ê&^ö > 80 EA 26 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BDF2EBCE90, 16 bytes long.
Data: <@é&^ö > 40 E9 26 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BDF2EBCE40, 16 bytes long.
Data: <øW#^ö > F8 57 23 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BDF2EBDC00, 16 bytes long.
Data: <ØW#^ö > D8 57 23 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BDF2EBDCF0, 16 bytes long.
Data: <P #^ö > 50 04 23 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BDF2EBD430, 16 bytes long.
Data: <0 #^ö > 30 04 23 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BDF2EBD890, 16 bytes long.
Data: <à #^ö > E0 02 23 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BDF2EBDC50, 16 bytes long.
Data: < #^ö > 10 04 23 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BDF2EBD390, 16 bytes long.
Data: <p #^ö > 70 04 23 5E F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001BDF2EBD2A0, 16 bytes long.
Data: < À!^ö > 18 C0 21 5E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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