| Name | JNK1_A16_A10_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-2-5-RND9443_0 |
| Workunit | 31546120 |
| Created | 12 Dec 2025, 12:14:48 UTC |
| Sent | 12 Dec 2025, 12:14:56 UTC |
| Report deadline | 17 Dec 2025, 12:14:56 UTC |
| Received | 13 Dec 2025, 23:26:57 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 645929 |
| Run time | 4 hours 26 min 43 sec |
| CPU time | 4 hours 26 min 43 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,305.93 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.82 MB |
| Peak swap size | 9.89 GB |
| Peak disk usage | 3.82 GB |
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:21:58 (43648): wrapper (7.9.26016): starting
09:21:58 (43648): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A10_0.pdb
QB_A16_A10_0.xml
QB_A16_A10_equil.pdb
QB_A16_A10.inpcrd
QB_A16_A10_input.yaml
QB_A16_A10_mdlambda.pdb
QB_A16_A10_min.pdb
QB_A16_A10_npt.pdb
QB_A16_A10_out_merged_nowater.pdb
QB_A16_A10.pdb
QB_A16_A10.prmtop
QB_A16_A10_sys.xml
QB_A16_A10_therm.pdb
run.bat
run.sh
09:22:00 (43648): Library/usr/bin/tar.exe exited; CPU time 0.031250
09:22:00 (43648): 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
Downloading setuptools-80.9.0-py3-none-any.whl.metadata (6.6 kB)
Collecting setuptools-scm>=8
Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/3d/ea/ac2bf868899d0d2e82ef72d350d97a846110c709bacf2d968431576ca915/setuptools_scm-9.2.2-py3-none-any.whl.metadata
Downloading setuptools_scm-9.2.2-py3-none-any.whl.metadata (7.7 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/20/12/38679034af332785aac8774540895e234f4d07f7545804097de4b666afd8/packaging-25.0-py3-none-any.whl.metadata
Downloading packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
Downloading setuptools-80.9.0-py3-none-any.whl (1.2 MB)
---------------------------------------- 1.2/1.2 MB 29.4 MB/s eta 0:00:00
Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
Downloading packaging-25.0-py3-none-any.whl (66 kB)
Installing collected packages: setuptools, packaging, setuptools-scm
Creating C:\ProgramData\BOINC\slots\24\pip-build-env-sax6ypuy\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-sax6ypuy\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-sax6ypuy\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-5h6n9rnq\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\24\pip-modern-metadata-5h6n9rnq\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\24\pip-modern-metadata-5h6n9rnq\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\24\pip-modern-metadata-5h6n9rnq\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\24\pip-modern-metadata-5h6n9rnq\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\24\pip-modern-metadata-5h6n9rnq\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\24\pip-modern-metadata-5h6n9rnq\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-5h6n9rnq\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-5h6n9rnq\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\24\pip-modern-metadata-5h6n9rnq\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\24\pip-build-env-sax6ypuy\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-zst9r834\.tmp-hwi1wsba\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) : {3835362} normal block at 0x000002241A87E9B0, 8 bytes long.
Data: < $ > 00 00 D2 1A 24 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000002241C679E10, 1080 bytes long.
Data: < > 94 12 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002241A875930, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:26:19 (27372): wrapper (7.9.26016): starting
09:26:19 (27372): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x000001E0965F5B80, 8 bytes long.
Data: < > 00 00 AD 96 E0 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001E0965F6D80, 1080 bytes long.
Data: < > 80 1C 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
04:24:10 (38360): wrapper (7.9.26016): starting
04:24:10 (38360): 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\slots\24\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x000002B0A03271E0, 8 bytes long.
Data: < ( > 00 00 28 A0 B0 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002B0A0328180, 1080 bytes long.
Data: <<2 > 3C 32 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
05:10:36 (27828): wrapper (7.9.26016): starting
05:10:36 (27828): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x000002ACC14F6F10, 8 bytes long.
Data: < J > 00 00 4A C1 AC 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002ACC14F7B90, 1080 bytes long.
Data: <4, > 34 2C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
05:41:56 (30476): wrapper (7.9.26016): starting
05:41:56 (30476): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x000001AFD4E169A0, 8 bytes long.
Data: < > 00 00 DA D4 AF 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001AFD4E17B50, 1080 bytes long.
Data: < g > E8 67 00 00 CD CD CD CD B8 00 00 00 00 00 00 00
Object dump complete.
05:53:29 (30508): wrapper (7.9.26016): starting
05:53:29 (30508): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x0000021ACB9863B0, 8 bytes long.
Data: < > 00 00 91 CB 1A 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000021ACB986D90, 1080 bytes long.
Data: < f > 14 66 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
06:43:34 (29108): wrapper (7.9.26016): starting
06:43:34 (29108): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x0000023249E161D0, 8 bytes long.
Data: < /J2 > 00 00 2F 4A 32 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000023249E16DE0, 1080 bytes long.
Data: < > B4 12 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
07:17:54 (27828): wrapper (7.9.26016): starting
07:17:54 (27828): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x0000025EFAA56580, 8 bytes long.
Data: < ^ > 00 00 0C FB 5E 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000025EFAA56D80, 1080 bytes long.
Data: <4 > 34 10 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
07:42:09 (2352): wrapper (7.9.26016): starting
07:42:09 (2352): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x0000012FD9D66090, 8 bytes long.
Data: < " / > 00 00 22 DA 2F 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000012FD9D66DE0, 1080 bytes long.
Data: < q > 9C 71 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
08:44:48 (31008): wrapper (7.9.26016): starting
08:44:48 (31008): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x000001876FD25A50, 8 bytes long.
Data: < p > 00 00 1E 70 87 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001876FD26D90, 1080 bytes long.
Data: <\~ > 5C 7E 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
09:07:52 (7360): wrapper (7.9.26016): starting
09:07:52 (7360): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x00000130EB135CD0, 8 bytes long.
Data: < _ 0 > 00 00 5F EB 30 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000130EB136DE0, 1080 bytes long.
Data: < > D8 0F 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
14:32:04 (31112): wrapper (7.9.26016): starting
14:32:04 (31112): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x0000024CA5146440, 8 bytes long.
Data: < p L > 00 00 70 A5 4C 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000024CA5146D80, 1080 bytes long.
Data: < > 88 13 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
16:12:57 (33428): wrapper (7.9.26016): starting
16:12:57 (33428): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x000001DFDD7859C0, 8 bytes long.
Data: < u > 00 00 75 DD DF 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001DFDD786A30, 1080 bytes long.
Data: < j > A0 6A 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
16:30:21 (29468): wrapper (7.9.26016): starting
16:30:21 (29468): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x0000026FB74067C0, 8 bytes long.
Data: < 8 o > 00 00 38 B7 6F 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000026FB7406D90, 1080 bytes long.
Data: < ~ > B8 7E 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:44:14 (29468): wrapper (7.9.26016): starting
16:44:14 (29468): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x000001BFFC025FF0, 8 bytes long.
Data: < L > 00 00 4C FC BF 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001BFFC026520, 1080 bytes long.
Data: < > EC 8E 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:47:48 (35720): wrapper (7.9.26016): starting
16:47:48 (35720): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x0000024E09995DA0, 8 bytes long.
Data: < N > 00 00 93 09 4E 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000024E09996B40, 1080 bytes long.
Data: <| > 7C 83 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
Object dump complete.
16:59:26 (36032): wrapper (7.9.26016): starting
16:59:26 (36032): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x000001DCFBEE5A00, 8 bytes long.
Data: < > 00 00 E8 FB DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001DCFBEE6D90, 1080 bytes long.
Data: <d > 64 14 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:15:34 (35016): wrapper (7.9.26016): starting
17:15:34 (35016): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x000001E3BC2D6160, 8 bytes long.
Data: < & > 00 00 26 BC E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001E3BC2D6BE0, 1080 bytes long.
Data: < j > C4 6A 00 00 CD CD CD CD B0 00 00 00 00 00 00 00
Object dump complete.
17:54:58 (14120): wrapper (7.9.26016): starting
17:54:58 (14120): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1707} normal block at 0x0000026A0A9A6FC0, 8 bytes long.
Data: < j > 00 00 E8 0A 6A 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000026A0A9A7C20, 1080 bytes long.
Data: < > F0 7F 00 00 CD CD CD CD A0 01 00 00 00 00 00 00
Object dump complete.
18:24:44 (25256): wrapper (7.9.26016): starting
18:24:44 (25256): 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\slots\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
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 427, in __init__
self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
return XmlSerializer.deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
return _openmm.XmlSerializer_deserializeSystem(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
18:25:02 (25256): C:/Windows/system32/cmd.exe exited; CPU time 3.000000
18:25:02 (25256): app exit status: 0x16
18:25:02 (25256): 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: 451249 bytes.
Dumping objects ->
{1795} normal block at 0x000001BA96133E90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1784} normal block at 0x000001BA96134130, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1773} normal block at 0x000001BA96133E20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1762} normal block at 0x000001BA96133DB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1751} normal block at 0x000001BA96134360, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1720} normal block at 0x000001BA96130EB0, 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) : {1707} normal block at 0x000001BA96135F50, 8 bytes long.
Data: < d > 00 00 64 96 BA 01 00 00
{306} normal block at 0x000001BA96136590, 8 bytes long.
Data: < m > E0 6D 13 96 BA 01 00 00
{297} normal block at 0x000001BA96122690, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001BA96135AA0, 16 bytes long.
Data: < l > E8 6C 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BA96135D70, 16 bytes long.
Data: < l > C0 6C 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BA9612FD10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001BA96135CD0, 16 bytes long.
Data: < l > 98 6C 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BA96136090, 16 bytes long.
Data: <pl > 70 6C 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BA96136810, 16 bytes long.
Data: <Hl > 48 6C 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BA96135C30, 16 bytes long.
Data: < l > 20 6C 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BA96134440, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001BA96135F00, 16 bytes long.
Data: < > C8 B5 11 96 BA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BA9612FB30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001BA96135FF0, 16 bytes long.
Data: < > A0 B5 11 96 BA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BA96136540, 16 bytes long.
Data: <x > 78 B5 11 96 BA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BA961367C0, 16 bytes long.
Data: <P > 50 B5 11 96 BA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BA96136770, 16 bytes long.
Data: <( > 28 B5 11 96 BA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BA96135A00, 16 bytes long.
Data: < > 00 B5 11 96 BA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BA96135B90, 16 bytes long.
Data: < > D8 B4 11 96 BA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BA961304F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001BA961366D0, 16 bytes long.
Data: < > B0 B4 11 96 BA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BA9611B4B0, 320 bytes long.
Data: < f > D0 66 13 96 BA 01 00 00 F0 04 13 96 BA 01 00 00
{276} normal block at 0x000001BA96136680, 16 bytes long.
Data: < l > 00 6C 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BA96135B40, 16 bytes long.
Data: < k > D8 6B 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BA9612F830, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001BA96135A50, 16 bytes long.
Data: < k > B0 6B 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BA9612FEF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001BA96135EB0, 16 bytes long.
Data: < j > F8 6A 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BA961364A0, 16 bytes long.
Data: < j > D0 6A 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BA96136630, 16 bytes long.
Data: < j > A8 6A 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BA961364F0, 16 bytes long.
Data: < j > 80 6A 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BA96136950, 16 bytes long.
Data: <Xj > 58 6A 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BA96135C80, 16 bytes long.
Data: <0j > 30 6A 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BA96136450, 16 bytes long.
Data: < D > B0 44 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BA961344B0, 40 bytes long.
Data: <Pd > 50 64 13 96 BA 01 00 00 B0 0E 13 96 BA 01 00 00
{262} normal block at 0x000001BA96136220, 16 bytes long.
Data: < j > 10 6A 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BA96136400, 16 bytes long.
Data: < i > E8 69 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BA96130370, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001BA96135D20, 16 bytes long.
Data: < i > C0 69 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BA961369C0, 992 bytes long.
Data: < ] p > 20 5D 13 96 BA 01 00 00 70 03 13 96 BA 01 00 00
{94} normal block at 0x000001BA96130070, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001BA9612E020, 16 bytes long.
Data: < B > F0 42 13 96 BA 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001BA961342F0, 40 bytes long.
Data: < p > 20 E0 12 96 BA 01 00 00 70 00 13 96 BA 01 00 00
{71} normal block at 0x000001BA9612DF80, 16 bytes long.
Data: < @ > 80 EA 40 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BA9612DEE0, 16 bytes long.
Data: <@ @ > 40 E9 40 C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BA9612DDF0, 16 bytes long.
Data: < W= > F8 57 3D C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BA9612E1B0, 16 bytes long.
Data: < W= > D8 57 3D C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BA9612E110, 16 bytes long.
Data: <P = > 50 04 3D C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BA9612D940, 16 bytes long.
Data: <0 = > 30 04 3D C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BA9612D8F0, 16 bytes long.
Data: < = > E0 02 3D C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BA9612D760, 16 bytes long.
Data: < = > 10 04 3D C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BA9612D850, 16 bytes long.
Data: <p = > 70 04 3D C9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BA9612DAD0, 16 bytes long.
Data: < ; > 18 C0 3B C9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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