Task 38609395
| Name | CDK2_A09_A10_r0_2-QUICO_ATM_GAFF2_NAGL_CDK2-1-6-RND5569_1 |
| Workunit | 31562448 |
| Created | 14 Apr 2026, 23:25:43 UTC |
| Sent | 14 Apr 2026, 23:25:51 UTC |
| Report deadline | 19 Apr 2026, 23:25:51 UTC |
| Received | 19 Apr 2026, 21:48:09 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 645094 |
| Run time | 15 min 3 sec |
| CPU time | 2 min 55 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 7,645.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 877.63 MB |
| Peak swap size | 5.43 GB |
| Peak disk usage | 4.15 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:37:53 (24228): wrapper (7.9.26016): starting
16:37:53 (24228): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A10_0.pdb
QB_A09_A10_0.xml
QB_A09_A10.inpcrd
QB_A09_A10_input.yaml
QB_A09_A10.pdb
QB_A09_A10.prmtop
QB_A09_A10_sys.xml
run.bat
run.sh
16:37:54 (24228): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:37:54 (24228): 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\2\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\2\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/9d/76/f789f7a86709c6b087c5a2f52f911838cad707cc613162401badc665acfe/setuptools-82.0.1-py3-none-any.whl.metadata
Downloading setuptools-82.0.1-py3-none-any.whl.metadata (6.5 kB)
Collecting setuptools-scm>=8
Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/5c/e1/342c4434df56aa537f6ce7647eefee521d96fbb828b08acd709865767652/setuptools_scm-10.0.5-py3-none-any.whl.metadata
Downloading setuptools_scm-10.0.5-py3-none-any.whl.metadata (6.5 kB)
Collecting vcs-versioning>=1.0.0.dev0 (from setuptools-scm>=8)
Obtaining dependency information for vcs-versioning>=1.0.0.dev0 from https://files.pythonhosted.org/packages/e6/60/73603fbcdbe5e803855bcce4414f94eaeed449083bd8183e67161af78188/vcs_versioning-1.1.1-py3-none-any.whl.metadata
Downloading vcs_versioning-1.1.1-py3-none-any.whl.metadata (1.6 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/7a/c2/920ef838e2f0028c8262f16101ec09ebd5969864e5a64c4c05fad0617c56/packaging-26.1-py3-none-any.whl.metadata
Downloading packaging-26.1-py3-none-any.whl.metadata (3.5 kB)
Downloading setuptools-82.0.1-py3-none-any.whl (1.0 MB)
---------------------------------------- 1.0/1.0 MB 6.8 MB/s eta 0:00:00
Downloading setuptools_scm-10.0.5-py3-none-any.whl (21 kB)
Downloading packaging-26.1-py3-none-any.whl (95 kB)
Downloading vcs_versioning-1.1.1-py3-none-any.whl (79 kB)
Installing collected packages: setuptools, packaging, vcs-versioning, setuptools-scm
Creating C:\ProgramData\BOINC\slots\2\pip-build-env-d_pc7box\overlay\Scripts
Successfully installed packaging-26.1 setuptools-82.0.1 setuptools-scm-10.0.5 vcs-versioning-1.1.1
Running command Getting requirements to build wheel
C:\ProgramData\BOINC\slots\2\pip-build-env-d_pc7box\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:151: UserWarning: version of None already set
warnings.warn(f"version of {self.dist_name} already set")
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
C:\ProgramData\BOINC\slots\2\pip-build-env-d_pc7box\overlay\Lib\site-packages\vcs_versioning\overrides.py:609: UserWarning: No GlobalOverrides context is active. Auto-creating one with SETUPTOOLS_SCM prefix for backwards compatibility. Consider using 'with GlobalOverrides.from_env("YOUR_TOOL"):' explicitly.
return get_active_overrides().subprocess_timeout
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\2\pip-build-env-d_pc7box\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:151: UserWarning: version of None already set
warnings.warn(f"version of {self.dist_name} already set")
running dist_info
creating C:\ProgramData\BOINC\slots\2\pip-modern-metadata-3p9340p8\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\2\pip-modern-metadata-3p9340p8\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\2\pip-modern-metadata-3p9340p8\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\2\pip-modern-metadata-3p9340p8\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\2\pip-modern-metadata-3p9340p8\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\2\pip-modern-metadata-3p9340p8\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\2\pip-modern-metadata-3p9340p8\atom_openmm.egg-info\SOURCES.txt'
C:\ProgramData\BOINC\slots\2\pip-build-env-d_pc7box\overlay\Lib\site-packages\vcs_versioning\overrides.py:609: UserWarning: No GlobalOverrides context is active. Auto-creating one with SETUPTOOLS_SCM prefix for backwards compatibility. Consider using 'with GlobalOverrides.from_env("YOUR_TOOL"):' explicitly.
return get_active_overrides().subprocess_timeout
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\2\pip-modern-metadata-3p9340p8\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\2\pip-modern-metadata-3p9340p8\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\2\pip-modern-metadata-3p9340p8\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\2\pip-build-env-d_pc7box\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:151: UserWarning: version of None already set
warnings.warn(f"version of {self.dist_name} already set")
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
C:\ProgramData\BOINC\slots\2\pip-build-env-d_pc7box\overlay\Lib\site-packages\vcs_versioning\overrides.py:609: UserWarning: No GlobalOverrides context is active. Auto-creating one with SETUPTOOLS_SCM prefix for backwards compatibility. Consider using 'with GlobalOverrides.from_env("YOUR_TOOL"):' explicitly.
return get_active_overrides().subprocess_timeout
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\\2\\pip-wheel-hp5c6hhe\\.tmp-zqysdtmd\\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\2\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) : {3846824} normal block at 0x000001B61DEEF2E0, 8 bytes long.
Data: < > 00 00 E9 1D B6 01 00 00
..\lib\diagnostics_win.cpp(417) : {3845430} normal block at 0x000001B61FBD6B10, 1080 bytes long.
Data: <lN > 6C 4E 00 00 CD CD CD CD E0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B61DEE1490, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:23:55 (5556): wrapper (7.9.26016): starting
17:23:55 (5556): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x0000027158E56140, 8 bytes long.
Data: < Xq > 00 00 E2 58 71 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000027158E57420, 1080 bytes long.
Data: < ] > FC 5D 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:00:03 (11260): wrapper (7.9.26016): starting
18:00:03 (11260): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x00000207590F61E0, 8 bytes long.
Data: < Y > 00 00 0C 59 07 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000207590F7110, 1080 bytes long.
Data: < O > 00 4F 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
20:27:15 (15876): wrapper (7.9.26016): starting
20:27:15 (15876): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x000001AC711666C0, 8 bytes long.
Data: < nq > 00 00 6E 71 AC 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001AC71166F60, 1080 bytes long.
Data: <` > 60 0B 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:28:22 (23240): wrapper (7.9.26016): starting
20:28:22 (23240): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x0000014B7EA65CF0, 8 bytes long.
Data: < K > 00 00 05 7F 4B 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000014B7EA670D0, 1080 bytes long.
Data: < P > 84 50 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:55:27 (5460): wrapper (7.9.26016): starting
20:55:27 (5460): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x0000020498596A50, 8 bytes long.
Data: < > 00 00 A1 98 04 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000020498597160, 1080 bytes long.
Data: < > DC 1C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:08:37 (23868): wrapper (7.9.26016): starting
15:08:37 (23868): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x000001BEA8426B10, 8 bytes long.
Data: < s > 00 00 73 A8 BE 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001BEA8427180, 1080 bytes long.
Data: < > 94 03 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:14:53 (25092): wrapper (7.9.26016): starting
15:14:53 (25092): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x0000013E07C95FC0, 8 bytes long.
Data: < > > 00 00 15 08 3E 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000013E07C97170, 1080 bytes long.
Data: < _ > A0 5F 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:14:20 (22104): wrapper (7.9.26016): starting
18:14:20 (22104): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x0000014B15825C50, 8 bytes long.
Data: < K > 00 00 DF 15 4B 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000014B15826E00, 1080 bytes long.
Data: < b > E0 62 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
18:33:02 (18164): wrapper (7.9.26016): starting
18:33:02 (18164): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x000002B18B2E6050, 8 bytes long.
Data: < ( > 00 00 28 8B B1 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002B18B2E7160, 1080 bytes long.
Data: <HX > 48 58 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
19:37:32 (15268): wrapper (7.9.26016): starting
19:37:32 (15268): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x00000121CDD363C0, 8 bytes long.
Data: < ! > 00 00 18 CE 21 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000121CDD37160, 1080 bytes long.
Data: < . > 9C 2E 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:03:16 (14196): wrapper (7.9.26016): starting
20:03:17 (14196): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x000002C137DB6CE0, 8 bytes long.
Data: < 48 > 00 00 34 38 C1 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002C137DB7170, 1080 bytes long.
Data: < c > EC 63 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:06:11 (20768): wrapper (7.9.26016): starting
20:06:11 (20768): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x000001B653856B10, 8 bytes long.
Data: < S > 00 00 D5 53 B6 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001B653857180, 1080 bytes long.
Data: < @ > 14 40 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
03:13:11 (16660): wrapper (7.9.26016): starting
07:15:43 (16660): 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\2\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x000002ACA0D85D50, 8 bytes long.
Data: < > 00 00 17 A1 AC 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002ACA0D86DC0, 1080 bytes long.
Data: <, > 2C 01 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
07:48:16 (12368): wrapper (7.9.26016): starting
07:48:16 (12368): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x0000022CB4746600, 8 bytes long.
Data: < , > 00 00 A6 B4 2C 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000022CB4747170, 1080 bytes long.
Data: <H > 48 18 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:52:07 (15796): wrapper (7.9.26016): starting
09:52:07 (15796): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x000002049E376610, 8 bytes long.
Data: < > 00 00 E2 9F 04 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002049E376F50, 1080 bytes long.
Data: < > B4 11 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
13:50:23 (28412): wrapper (7.9.26016): starting
13:50:23 (28412): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1699} normal block at 0x0000021D64D07B50, 8 bytes long.
Data: < e > 00 00 19 65 1D 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000021D64D08120, 1080 bytes long.
Data: <,c > 2C 63 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
14:09:32 (33444): wrapper (7.9.26016): starting
14:09:33 (33444): 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\2\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\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\2\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
14:46:18 (33444): C:/Windows/system32/cmd.exe exited; CPU time 166.187500
14:46:18 (33444): app exit status: 0x16
14:46:18 (33444): 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: 4043864 bytes.
Dumping objects ->
{1788} normal block at 0x00000163BE955330, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1777} normal block at 0x00000163BE955870, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1766} normal block at 0x00000163BE9554F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1755} normal block at 0x00000163BE955800, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1744} normal block at 0x00000163BE955790, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1713} normal block at 0x00000163BE93EA20, 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) : {1699} normal block at 0x00000163BE956C30, 8 bytes long.
Data: < c > 00 00 DF BE 63 01 00 00
{306} normal block at 0x00000163BE955EC0, 8 bytes long.
Data: <`q c > 60 71 95 BE 63 01 00 00
{297} normal block at 0x00000163BE942AA0, 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 0x00000163BE956A50, 16 bytes long.
Data: <hp c > 68 70 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000163BE956550, 16 bytes long.
Data: <@p c > 40 70 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000163BE950690, 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 0x00000163BE956A00, 16 bytes long.
Data: < p c > 18 70 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000163BE956190, 16 bytes long.
Data: < o c > F0 6F 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000163BE9562D0, 16 bytes long.
Data: < o c > C8 6F 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000163BE955E70, 16 bytes long.
Data: < o c > A0 6F 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000163BE955410, 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 0x00000163BE956410, 16 bytes long.
Data: < c > 88 F7 93 BE 63 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000163BE94FA90, 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 0x00000163BE956960, 16 bytes long.
Data: <` c > 60 F7 93 BE 63 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000163BE956AF0, 16 bytes long.
Data: <8 c > 38 F7 93 BE 63 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000163BE9566E0, 16 bytes long.
Data: < c > 10 F7 93 BE 63 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000163BE955E20, 16 bytes long.
Data: < c > E8 F6 93 BE 63 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000163BE9568C0, 16 bytes long.
Data: < c > C0 F6 93 BE 63 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000163BE956870, 16 bytes long.
Data: < c > 98 F6 93 BE 63 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000163BE950390, 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 0x00000163BE9564B0, 16 bytes long.
Data: <p c > 70 F6 93 BE 63 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000163BE93F670, 320 bytes long.
Data: < d c c > B0 64 95 BE 63 01 00 00 90 03 95 BE 63 01 00 00
{276} normal block at 0x00000163BE956500, 16 bytes long.
Data: < o c > 80 6F 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000163BE955DD0, 16 bytes long.
Data: <Xo c > 58 6F 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000163BE9508D0, 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 0x00000163BE956280, 16 bytes long.
Data: <0o c > 30 6F 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000163BE94FEB0, 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 0x00000163BE956AA0, 16 bytes long.
Data: <xn c > 78 6E 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000163BE955FB0, 16 bytes long.
Data: <Pn c > 50 6E 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000163BE956C80, 16 bytes long.
Data: <(n c > 28 6E 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000163BE956910, 16 bytes long.
Data: < n c > 00 6E 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000163BE955D80, 16 bytes long.
Data: < m c > D8 6D 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000163BE956820, 16 bytes long.
Data: < m c > B0 6D 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000163BE956690, 16 bytes long.
Data: < T c > 80 54 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000163BE955480, 40 bytes long.
Data: < f c c > 90 66 95 BE 63 01 00 00 20 EA 93 BE 63 01 00 00
{262} normal block at 0x00000163BE956460, 16 bytes long.
Data: < m c > 90 6D 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000163BE956BE0, 16 bytes long.
Data: <hm c > 68 6D 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000163BE9506F0, 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 0x00000163BE956230, 16 bytes long.
Data: <@m c > 40 6D 95 BE 63 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000163BE956D40, 992 bytes long.
Data: <0b c c > 30 62 95 BE 63 01 00 00 F0 06 95 BE 63 01 00 00
{94} normal block at 0x00000163BE94FCD0, 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 0x00000163BE94E470, 16 bytes long.
Data: < c > B0 E9 93 BE 63 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000163BE93E9B0, 40 bytes long.
Data: <p c c > 70 E4 94 BE 63 01 00 00 D0 FC 94 BE 63 01 00 00
{71} normal block at 0x00000163BE94E100, 16 bytes long.
Data: < > 80 EA BC B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000163BE94DDE0, 16 bytes long.
Data: <@ > 40 E9 BC B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000163BE94E0B0, 16 bytes long.
Data: < W > F8 57 B9 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000163BE94DE30, 16 bytes long.
Data: < W > D8 57 B9 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000163BE94E6F0, 16 bytes long.
Data: <P > 50 04 B9 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000163BE94DE80, 16 bytes long.
Data: <0 > 30 04 B9 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000163BE94DB10, 16 bytes long.
Data: < > E0 02 B9 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000163BE94DFC0, 16 bytes long.
Data: < > 10 04 B9 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000163BE94E6A0, 16 bytes long.
Data: <p > 70 04 B9 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000163BE94DBB0, 16 bytes long.
Data: < > 18 C0 B7 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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