Task 38584214
| Name | JNK1_A25_A31_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND7560_2 |
| Workunit | 31545215 |
| Created | 16 Dec 2025, 16:06:47 UTC |
| Sent | 16 Dec 2025, 16:06:52 UTC |
| Report deadline | 21 Dec 2025, 16:06:52 UTC |
| Received | 17 Dec 2025, 12:09:38 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 637614 |
| Run time | 15 hours 46 min 9 sec |
| CPU time | 15 hours 46 min 9 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 3,198.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 909.79 MB |
| Peak swap size | 6.75 GB |
| Peak disk usage | 3.10 GB |
Stderr output
<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>
17:23:00 (28832): wrapper (7.9.26016): starting
17:23:00 (28832): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835375} normal block at 0x000002038E96C0A0, 8 bytes long.
Data: < > 00 00 EA 8E 03 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833982} normal block at 0x000002038E95F920, 1080 bytes long.
Data: < h > F8 68 00 00 CD CD CD CD D4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000002038E9667C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:27:27 (9708): wrapper (7.9.26016): starting
17:27:28 (9708): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A31_0.pdb
QB_A25_A31_0.xml
QB_A25_A31_equil.pdb
QB_A25_A31.inpcrd
QB_A25_A31_input.yaml
QB_A25_A31_mdlambda.pdb
QB_A25_A31_min.pdb
QB_A25_A31_npt.pdb
QB_A25_A31_out_merged_nowater.pdb
QB_A25_A31.pdb
QB_A25_A31.prmtop
QB_A25_A31_sys.xml
QB_A25_A31_therm.pdb
run.bat
run.sh
17:27:33 (9708): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:27:33 (9708): 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\12\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\12\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
Using cached setuptools-80.9.0-py3-none-any.whl.metadata (6.6 kB)
Collecting setuptools-scm>=8
Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/3d/ea/ac2bf868899d0d2e82ef72d350d97a846110c709bacf2d968431576ca915/setuptools_scm-9.2.2-py3-none-any.whl.metadata
Downloading setuptools_scm-9.2.2-py3-none-any.whl.metadata (7.7 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/20/12/38679034af332785aac8774540895e234f4d07f7545804097de4b666afd8/packaging-25.0-py3-none-any.whl.metadata
Using cached packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
Using cached setuptools-80.9.0-py3-none-any.whl (1.2 MB)
Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
Using cached packaging-25.0-py3-none-any.whl (66 kB)
Installing collected packages: setuptools, packaging, setuptools-scm
Creating C:\ProgramData\BOINC\slots\12\pip-build-env-vhpwng0f\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\12\pip-build-env-vhpwng0f\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\12\pip-build-env-vhpwng0f\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\12\pip-modern-metadata-ogr4rdp0\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\12\pip-modern-metadata-ogr4rdp0\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\12\pip-modern-metadata-ogr4rdp0\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\12\pip-modern-metadata-ogr4rdp0\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\12\pip-modern-metadata-ogr4rdp0\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\12\pip-modern-metadata-ogr4rdp0\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\12\pip-modern-metadata-ogr4rdp0\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\12\pip-modern-metadata-ogr4rdp0\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\12\pip-modern-metadata-ogr4rdp0\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\12\pip-modern-metadata-ogr4rdp0\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\12\pip-build-env-vhpwng0f\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\12\pip-wheel-hf954htd\.tmp-zuptdybq\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\12\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1708} normal block at 0x000002C9132979C0, 8 bytes long.
Data: < > 00 00 7F 13 C9 02 00 00
..\lib\diagnostics_win.cpp(417) : {315} normal block at 0x000002C913297F40, 1080 bytes long.
Data: < & > 04 26 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:32:28 (16456): wrapper (7.9.26016): starting
17:32:28 (16456): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x00000290C2F37AB0, 8 bytes long.
Data: < > > 00 00 3E C3 90 02 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x00000290C2F37F40, 1080 bytes long.
Data: <4G > 34 47 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:37:28 (17232): wrapper (7.9.26016): starting
17:37:28 (17232): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x000001F657227AB0, 8 bytes long.
Data: < uW > 00 00 75 57 F6 01 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000001F657227F40, 1080 bytes long.
Data: <t~ > 74 7E 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
19:31:15 (42480): wrapper (7.9.26016): starting
19:31:15 (42480): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x0000026C60B678D0, 8 bytes long.
Data: < al > 00 00 03 61 6C 02 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x0000026C60B67F40, 1080 bytes long.
Data: <dU > 64 55 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
19:45:10 (35948): wrapper (7.9.26016): starting
19:45:10 (35948): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x000001309D086C00, 8 bytes long.
Data: < d 0 > 00 00 64 9D 30 01 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000001309D087F40, 1080 bytes long.
Data: < > 8C 92 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
19:55:10 (6776): wrapper (7.9.26016): starting
19:55:10 (6776): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x000002919DD87970, 8 bytes long.
Data: < > 00 00 06 9E 91 02 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000002919DD87F40, 1080 bytes long.
Data: < > C8 83 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:11:54 (32472): wrapper (7.9.26016): starting
20:11:54 (32472): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x000001750C586DE0, 8 bytes long.
Data: < u > 00 00 A2 0C 75 01 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000001750C587F40, 1080 bytes long.
Data: <d > 64 87 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:20:26 (35412): wrapper (7.9.26016): starting
20:20:26 (35412): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x000001D61BAD7330, 8 bytes long.
Data: < > 00 00 F3 1B D6 01 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000001D61BAD7F40, 1080 bytes long.
Data: <p > 70 06 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:40:27 (27208): wrapper (7.9.26016): starting
20:40:27 (27208): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x0000017745BE7600, 8 bytes long.
Data: < Fw > 00 00 12 46 77 01 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x0000017745BE7F40, 1080 bytes long.
Data: < > F8 0C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:09:53 (31892): wrapper (7.9.26016): starting
21:09:53 (31892): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x000001EBC2627620, 8 bytes long.
Data: < > 00 00 A9 C2 EB 01 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000001EBC2627C40, 1080 bytes long.
Data: < w > 88 77 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
21:36:56 (36772): wrapper (7.9.26016): starting
21:36:56 (36772): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x0000021C91B47740, 8 bytes long.
Data: < > 00 00 FB 91 1C 02 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x0000021C91B47F40, 1080 bytes long.
Data: < > 98 01 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:14:11 (40596): wrapper (7.9.26016): starting
09:14:11 (40596): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x000002B7B5C58050, 8 bytes long.
Data: < > 00 00 1F B6 B7 02 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000002B7B5C58B70, 1080 bytes long.
Data: <T > 54 12 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:38:19 (40648): wrapper (7.9.26016): starting
09:38:19 (40648): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x0000024108337150, 8 bytes long.
Data: < , A > 00 00 2C 08 41 02 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x0000024108337F40, 1080 bytes long.
Data: < > 00 82 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
09:47:12 (19212): wrapper (7.9.26016): starting
09:47:12 (19212): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x0000020D83617780, 8 bytes long.
Data: < X > 00 00 58 83 0D 02 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x0000020D836166D0, 1080 bytes long.
Data: <t > 74 A2 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
10:13:36 (26716): wrapper (7.9.26016): starting
10:13:36 (26716): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1709} normal block at 0x0000010A95BA7290, 8 bytes long.
Data: < > 00 00 08 96 0A 01 00 00
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x0000010A95BA7F40, 1080 bytes long.
Data: <pl > 70 6C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
13:07:24 (33592): wrapper (7.9.26016): starting
13:07:24 (33592): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\openmm.py", line 19618, in deserialize
raise ValueError("Invalid input string")
ValueError: Invalid input string
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "C:\ProgramData\BOINC\slots\12\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
stateid = self.status[repl]['stateid_current']
^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\12\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'
13:07:52 (33592): C:/Windows/system32/cmd.exe exited; CPU time 18.140625
13:07:52 (33592): app exit status: 0x16
13:07:52 (33592): 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: 719507 bytes.
Dumping objects ->
{1797} normal block at 0x000001D28BB56420, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1786} normal block at 0x000001D28BB55EE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1775} normal block at 0x000001D28BB560A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1764} normal block at 0x000001D28BB55E70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1753} normal block at 0x000001D28BB55F50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1722} normal block at 0x000001D28BB40B20, 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) : {1709} normal block at 0x000001D28BB57330, 8 bytes long.
Data: < > 00 00 EA 8B D2 01 00 00
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Data: <@ > 40 7F B5 8B D2 01 00 00
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Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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Data: <H~ > 48 7E B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
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Data: < ~ > 20 7E B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
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Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
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Data: < } > F8 7D B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
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Data: < } > D0 7D B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
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Data: < } > A8 7D B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
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Data: < } > 80 7D B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
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Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{299} normal block at 0x000001D28BB57A60, 16 bytes long.
Data: < > 18 FF B3 8B D2 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D28BB50DD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{297} normal block at 0x000001D28BB57240, 16 bytes long.
Data: < > F0 FE B3 8B D2 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D28BB577E0, 16 bytes long.
Data: < > C8 FE B3 8B D2 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D28BB570B0, 16 bytes long.
Data: < > A0 FE B3 8B D2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D28BB571A0, 16 bytes long.
Data: <x > 78 FE B3 8B D2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D28BB56B60, 16 bytes long.
Data: <P > 50 FE B3 8B D2 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D28BB56C50, 16 bytes long.
Data: <( > 28 FE B3 8B D2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D28BB50EF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{289} normal block at 0x000001D28BB57010, 16 bytes long.
Data: < > 00 FE B3 8B D2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D28BB3FE00, 320 bytes long.
Data: < p > 10 70 B5 8B D2 01 00 00 F0 0E B5 8B D2 01 00 00
{287} normal block at 0x000001D28BB57880, 16 bytes long.
Data: <`} > 60 7D B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D28BB57650, 16 bytes long.
Data: <8} > 38 7D B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D28BB50BF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{284} normal block at 0x000001D28BB56DE0, 16 bytes long.
Data: < } > 10 7D B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D28BB51130, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{282} normal block at 0x000001D28BB57920, 16 bytes long.
Data: <X| > 58 7C B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
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Data: <0| > 30 7C B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D28BB57060, 16 bytes long.
Data: < | > 08 7C B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
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Data: < { > E0 7B B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
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Data: < { > B8 7B B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D28BB579C0, 16 bytes long.
Data: < { > 90 7B B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D28BB57740, 16 bytes long.
Data: < ] > 90 5D B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D28BB55D90, 40 bytes long.
Data: <@w > 40 77 B5 8B D2 01 00 00 20 0B B4 8B D2 01 00 00
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Data: <p{ > 70 7B B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D28BB575B0, 16 bytes long.
Data: <H{ > 48 7B B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D28BB50710, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
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Data: < { > 20 7B B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D28BB57B20, 992 bytes long.
Data: < w > 90 77 B5 8B D2 01 00 00 10 07 B5 8B D2 01 00 00
{105} normal block at 0x000001D28BB51310, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{104} normal block at 0x000001D28BB4C050, 16 bytes long.
Data: < ^ > 00 5E B5 8B D2 01 00 00 00 00 00 00 00 00 00 00
{103} normal block at 0x000001D28BB55E00, 40 bytes long.
Data: <P > 50 C0 B4 8B D2 01 00 00 10 13 B5 8B D2 01 00 00
{82} normal block at 0x000001D28BB4C1E0, 16 bytes long.
Data: < a > 80 EA 84 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001D28BB4BBA0, 16 bytes long.
Data: <@ a > 40 E9 84 61 F7 7F 00 00 00 00 00 00 00 00 00 00
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Data: < W a > F8 57 81 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001D28BB4B650, 16 bytes long.
Data: < W a > D8 57 81 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001D28BB4B740, 16 bytes long.
Data: <P a > 50 04 81 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001D28BB4BFB0, 16 bytes long.
Data: <0 a > 30 04 81 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001D28BB4BB00, 16 bytes long.
Data: < a > E0 02 81 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001D28BB4C370, 16 bytes long.
Data: < a > 10 04 81 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001D28BB4C140, 16 bytes long.
Data: <p a > 70 04 81 61 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001D28BB4BDD0, 16 bytes long.
Data: < a > 18 C0 7F 61 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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