Task 38582245
| Name | HIF2A_A03_A42_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND4582_0 |
| Workunit | 31546584 |
| Created | 13 Dec 2025, 0:11:27 UTC |
| Sent | 13 Dec 2025, 0:11:33 UTC |
| Report deadline | 18 Dec 2025, 0:11:33 UTC |
| Received | 13 Dec 2025, 15:13:37 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638396 |
| Run time | 2 hours 41 min 8 sec |
| CPU time | 2 hours 41 min 8 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 8,194.40 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 431.61 MB |
| Peak swap size | 9.46 GB |
| Peak disk usage | 4.03 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>
18:20:13 (38184): wrapper (7.9.26016): starting
18:20:13 (38184): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3844222} normal block at 0x000002065816CE00, 8 bytes long.
Data: < iX > 00 00 69 58 06 02 00 00
..\lib\diagnostics_win.cpp(417) : {3843063} normal block at 0x000002065824EB80, 1080 bytes long.
Data: < B > B8 42 00 00 CD CD CD CD 8C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {330} normal block at 0x0000020658162370, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:22:55 (7480): wrapper (7.9.26016): starting
18:22:55 (7480): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A42_0.pdb
QB_A03_A42_0.xml
QB_A03_A42_equil.pdb
QB_A03_A42.inpcrd
QB_A03_A42_input.yaml
QB_A03_A42_mdlambda.pdb
QB_A03_A42_min.pdb
QB_A03_A42_npt.pdb
QB_A03_A42.pdb
QB_A03_A42.prmtop
QB_A03_A42_sys.xml
QB_A03_A42_therm.pdb
run.bat
run.sh
18:22:57 (7480): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:22:58 (7480): 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\16\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\16\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\16\pip-build-env-mc0non2j\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\16\pip-build-env-mc0non2j\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\16\pip-build-env-mc0non2j\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\16\pip-modern-metadata-hp4clhy_\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\16\pip-modern-metadata-hp4clhy_\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\16\pip-modern-metadata-hp4clhy_\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\16\pip-modern-metadata-hp4clhy_\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\16\pip-modern-metadata-hp4clhy_\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\16\pip-modern-metadata-hp4clhy_\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\16\pip-modern-metadata-hp4clhy_\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\16\pip-modern-metadata-hp4clhy_\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\16\pip-modern-metadata-hp4clhy_\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\16\pip-modern-metadata-hp4clhy_\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\16\pip-build-env-mc0non2j\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\16\pip-wheel-wfiq_v3k\.tmp-nrdt6cn1\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\16\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) : {1481} normal block at 0x000001B21DCDAB70, 8 bytes long.
Data: < > 00 00 0B 1E B2 01 00 00
..\lib\diagnostics_win.cpp(417) : {322} normal block at 0x000001B21DCD97E0, 1080 bytes long.
Data: <<o > 3C 6F 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
18:42:50 (36452): wrapper (7.9.26016): starting
18:42:50 (36452): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1482} normal block at 0x00000174EF6AA7B0, 8 bytes long.
Data: < t > 00 00 C9 EF 74 01 00 00
..\lib\diagnostics_win.cpp(417) : {323} normal block at 0x00000174EF6A97E0, 1080 bytes long.
Data: < > F8 8D 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
19:31:18 (27028): wrapper (7.9.26016): starting
19:31:18 (27028): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1482} normal block at 0x0000023E52A49B60, 8 bytes long.
Data: < R> > 00 00 FB 52 3E 02 00 00
..\lib\diagnostics_win.cpp(417) : {323} normal block at 0x0000023E52A48730, 1080 bytes long.
Data: < L > BC 4C 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
19:43:29 (44532): wrapper (7.9.26016): starting
19:43:29 (44532): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1482} normal block at 0x0000023A3A12AA80, 8 bytes long.
Data: < :: > 00 00 0E 3A 3A 02 00 00
..\lib\diagnostics_win.cpp(417) : {323} normal block at 0x0000023A3A1297E0, 1080 bytes long.
Data: <T > 54 0E 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
07:37:32 (13792): wrapper (7.9.26016): starting
07:37:32 (13792): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1482} normal block at 0x000001AC2EBDA780, 8 bytes long.
Data: < . > 00 00 B9 2E AC 01 00 00
..\lib\diagnostics_win.cpp(417) : {323} normal block at 0x000001AC2EBD94E0, 1080 bytes long.
Data: < s > CC 73 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
08:07:20 (13140): wrapper (7.9.26016): starting
08:07:20 (13140): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\16\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\16\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\16\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\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\16\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\16\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'
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1482} normal block at 0x000001ECC454B450, 8 bytes long.
Data: < > 00 00 9E C4 EC 01 00 00
..\lib\diagnostics_win.cpp(417) : {323} normal block at 0x000001ECC454A4D0, 1080 bytes long.
Data: < > 94 9C 00 00 CD CD CD CD 98 01 00 00 00 00 00 00
Object dump complete.
08:10:59 (18116): wrapper (7.9.26016): starting
08:10:59 (18116): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\16\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\16\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\16\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\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\16\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\16\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'
08:11:11 (18116): C:/Windows/system32/cmd.exe exited; CPU time 9.265625
08:11:11 (18116): app exit status: 0x16
08:11:11 (18116): 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: 404489 bytes.
Dumping objects ->
{1570} normal block at 0x0000025B04CE3DF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1559} normal block at 0x0000025B04CE3AE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1548} normal block at 0x0000025B04CE3D10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1537} normal block at 0x0000025B04CE4100, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1526} normal block at 0x0000025B04CE4020, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1495} normal block at 0x0000025B04CCEAF0, 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) : {1482} normal block at 0x0000025B04CEC370, 8 bytes long.
Data: < $ [ > 00 00 24 05 5B 02 00 00
{324} normal block at 0x0000025B04CECE60, 8 bytes long.
Data: <` [ > 60 B7 CE 04 5B 02 00 00
{315} normal block at 0x0000025B04CCE2C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{314} normal block at 0x0000025B04CECAF0, 16 bytes long.
Data: < b [ > F8 62 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{313} normal block at 0x0000025B04CECE10, 16 bytes long.
Data: < b [ > D0 62 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x0000025B04CE7320, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{311} normal block at 0x0000025B04CECEB0, 16 bytes long.
Data: < b [ > A8 62 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x0000025B04CECCD0, 16 bytes long.
Data: < b [ > 80 62 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x0000025B04CEC8C0, 16 bytes long.
Data: <Xb [ > 58 62 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000025B04CEC910, 16 bytes long.
Data: <0b [ > 30 62 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000025B04CE3BC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{306} normal block at 0x0000025B04CECDC0, 16 bytes long.
Data: <X7 [ > 58 37 CD 04 5B 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000025B04CE6F00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{304} normal block at 0x0000025B04CEC0F0, 16 bytes long.
Data: <07 [ > 30 37 CD 04 5B 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000025B04CEC410, 16 bytes long.
Data: < 7 [ > 08 37 CD 04 5B 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000025B04CECA50, 16 bytes long.
Data: < 6 [ > E0 36 CD 04 5B 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000025B04CEC1E0, 16 bytes long.
Data: < 6 [ > B8 36 CD 04 5B 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000025B04CEC870, 16 bytes long.
Data: < 6 [ > 90 36 CD 04 5B 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000025B04CECFA0, 16 bytes long.
Data: <h6 [ > 68 36 CD 04 5B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025B04CE69C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{296} normal block at 0x0000025B04CEC320, 16 bytes long.
Data: <@6 [ > 40 36 CD 04 5B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025B04CD3640, 320 bytes long.
Data: < [ i [ > 20 C3 CE 04 5B 02 00 00 C0 69 CE 04 5B 02 00 00
{294} normal block at 0x0000025B04CECF50, 16 bytes long.
Data: < b [ > 10 62 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025B04CECC80, 16 bytes long.
Data: < a [ > E8 61 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025B04CE78C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{291} normal block at 0x0000025B04CECD20, 16 bytes long.
Data: < a [ > C0 61 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025B04CE6D80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{289} normal block at 0x0000025B04CEC7D0, 16 bytes long.
Data: < a [ > 08 61 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025B04CEC5A0, 16 bytes long.
Data: < ` [ > E0 60 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025B04CEC820, 16 bytes long.
Data: < ` [ > B8 60 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025B04CEC780, 16 bytes long.
Data: < ` [ > 90 60 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025B04CECBE0, 16 bytes long.
Data: <h` [ > 68 60 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025B04CEC730, 16 bytes long.
Data: <@` [ > 40 60 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025B04CEC690, 16 bytes long.
Data: <@? [ > 40 3F CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025B04CE3F40, 40 bytes long.
Data: < [ [ > 90 C6 CE 04 5B 02 00 00 F0 EA CC 04 5B 02 00 00
{280} normal block at 0x0000025B04CEC0A0, 16 bytes long.
Data: < ` [ > 20 60 CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025B04CECC30, 16 bytes long.
Data: < _ [ > F8 5F CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025B04CE6D20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{277} normal block at 0x0000025B04CECF00, 16 bytes long.
Data: < _ [ > D0 5F CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025B04CE5FD0, 992 bytes long.
Data: < [ m [ > 00 CF CE 04 5B 02 00 00 20 6D CE 04 5B 02 00 00
{112} normal block at 0x0000025B04CE70E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{111} normal block at 0x0000025B04CDD970, 16 bytes long.
Data: < = [ > 80 3D CE 04 5B 02 00 00 00 00 00 00 00 00 00 00
{110} normal block at 0x0000025B04CE3D80, 40 bytes long.
Data: <p [ p [ > 70 D9 CD 04 5B 02 00 00 E0 70 CE 04 5B 02 00 00
{89} normal block at 0x0000025B04CDD6A0, 16 bytes long.
Data: < > 80 EA CC EB F7 7F 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000025B04CDCED0, 16 bytes long.
Data: <@ > 40 E9 CC EB F7 7F 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000025B04CDD920, 16 bytes long.
Data: < W > F8 57 C9 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000025B04CDCD40, 16 bytes long.
Data: < W > D8 57 C9 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000025B04CDD650, 16 bytes long.
Data: <P > 50 04 C9 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000025B04CDDB00, 16 bytes long.
Data: <0 > 30 04 C9 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000025B04CDDC40, 16 bytes long.
Data: < > E0 02 C9 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000025B04CDDAB0, 16 bytes long.
Data: < > 10 04 C9 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000025B04CDD830, 16 bytes long.
Data: <p > 70 04 C9 EB F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000025B04CDCE30, 16 bytes long.
Data: < > 18 C0 C7 EB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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