Task 38597963
| Name | MCL1_A35_A06_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-0-6-RND0405_2 |
| Workunit | 31553145 |
| Created | 8 Apr 2026, 8:35:41 UTC |
| Sent | 8 Apr 2026, 8:50:25 UTC |
| Report deadline | 13 Apr 2026, 8:50:25 UTC |
| Received | 17 Apr 2026, 11:20:51 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643169 |
| Run time | 3 hours 16 min 35 sec |
| CPU time | 3 hours 8 min 57 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 4,380.15 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 380.24 MB |
| Peak swap size | 2.61 GB |
| Peak disk usage | 2.88 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:03:58 (7840): wrapper (7.9.26016): starting
11:03:58 (7840): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A35_A06_0.pdb
QB_A35_A06_0.xml
QB_A35_A06.inpcrd
QB_A35_A06_input.yaml
QB_A35_A06.pdb
QB_A35_A06.prmtop
QB_A35_A06_sys.xml
run.bat
run.sh
11:03:59 (7840): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:03:59 (7840): 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\1\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\1\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/b7/b9/c538f279a4e237a006a2c98387d081e9eb060d203d8ed34467cc0f0b9b53/packaging-26.0-py3-none-any.whl.metadata
Downloading packaging-26.0-py3-none-any.whl.metadata (3.3 kB)
Downloading setuptools-82.0.1-py3-none-any.whl (1.0 MB)
---------------------------------------- 1.0/1.0 MB 6.0 MB/s eta 0:00:00
Downloading setuptools_scm-10.0.5-py3-none-any.whl (21 kB)
Downloading packaging-26.0-py3-none-any.whl (74 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\1\pip-build-env-rur2brai\overlay\Scripts
Successfully installed packaging-26.0 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\1\pip-build-env-rur2brai\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\1\pip-build-env-rur2brai\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\1\pip-build-env-rur2brai\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\1\pip-modern-metadata-9f3cy7m7\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\1\pip-modern-metadata-9f3cy7m7\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-9f3cy7m7\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-9f3cy7m7\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-9f3cy7m7\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-9f3cy7m7\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-9f3cy7m7\atom_openmm.egg-info\SOURCES.txt'
C:\ProgramData\BOINC\slots\1\pip-build-env-rur2brai\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\1\pip-modern-metadata-9f3cy7m7\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-9f3cy7m7\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-9f3cy7m7\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\1\pip-build-env-rur2brai\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\1\pip-build-env-rur2brai\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\\1\\pip-wheel-13j9e0nz\\.tmp-n5vbwd5z\\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\1\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) : {3835180} normal block at 0x000001B0917FF2C0, 8 bytes long.
Data: < { > 00 00 7B 91 B0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x000001B0934C8850, 1080 bytes long.
Data: <$ > 24 10 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001B0917F6EE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:08:31 (8444): wrapper (7.9.26016): starting
11:08:31 (8444): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x00000156B3DA6BA0, 8 bytes long.
Data: < q V > 00 00 71 B5 56 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000156B3DA72F0, 1080 bytes long.
Data: <4! > 34 21 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
12:04:58 (15424): wrapper (7.9.26016): starting
12:04:58 (15424): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x00000212803C6CB0, 8 bytes long.
Data: < 9 > 00 00 39 80 12 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000212803C77D0, 1080 bytes long.
Data: < > 84 20 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
12:28:04 (5712): wrapper (7.9.26016): starting
12:28:04 (5712): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000027EEC1568E0, 8 bytes long.
Data: < a ~ > 00 00 61 EC 7E 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000027EEC1579A0, 1080 bytes long.
Data: < > AC 1E 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
12:48:13 (4140): wrapper (7.9.26016): starting
12:48:13 (4140): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000022B7A346B60, 8 bytes long.
Data: < 1z+ > 00 00 31 7A 2B 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000022B7A3479A0, 1080 bytes long.
Data: <d( > 64 28 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
13:15:07 (5240): wrapper (7.9.26016): starting
13:15:07 (5240): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000027B92E16800, 8 bytes long.
Data: < % { > 00 00 25 93 7B 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000027B92E176E0, 1080 bytes long.
Data: < > D0 08 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
13:28:40 (6652): wrapper (7.9.26016): starting
13:28:40 (6652): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000028F47107100, 8 bytes long.
Data: < [G > 00 00 5B 47 8F 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000028F47105E10, 1080 bytes long.
Data: < > E0 06 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
13:46:59 (9564): wrapper (7.9.26016): starting
13:46:59 (9564): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001CAE5116A80, 8 bytes long.
Data: < > 00 00 B0 E6 CA 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001CAE51177D0, 1080 bytes long.
Data: < $ > EC 24 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
14:10:15 (2972): wrapper (7.9.26016): starting
14:10:15 (2972): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001F5BE9D73C0, 8 bytes long.
Data: < > 00 00 D2 BE F5 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001F5BE9D7C50, 1080 bytes long.
Data: <\2 > 5C 32 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
14:47:57 (17436): wrapper (7.9.26016): starting
14:47:57 (17436): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001F533546DA0, 8 bytes long.
Data: < J3 > 00 00 4A 33 F5 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001F5335477D0, 1080 bytes long.
Data: <` > 60 13 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:01:27 (18272): wrapper (7.9.26016): starting
15:01:27 (18272): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x00000182D0006470, 8 bytes long.
Data: < K > 00 00 4B D0 82 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000182D0007800, 1080 bytes long.
Data: <05 > 30 35 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:05:20 (18272): wrapper (7.9.26016): starting
15:05:20 (18272): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001EB7CF86B00, 8 bytes long.
Data: < .} > 00 00 2E 7D EB 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001EB7CF872F0, 1080 bytes long.
Data: < J > E4 4A 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
15:21:01 (19364): wrapper (7.9.26016): starting
15:21:01 (19364): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000002B65D8485F0, 8 bytes long.
Data: < ] > 00 00 C9 5D B6 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002B65D848A80, 1080 bytes long.
Data: < O > B4 4F 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
15:59:22 (20080): wrapper (7.9.26016): starting
15:59:22 (20080): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000021E3E797590, 8 bytes long.
Data: < > > 00 00 C4 3E 1E 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000021E3E7987E0, 1080 bytes long.
Data: < L > 9C 4C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:25:43 (21160): wrapper (7.9.26016): starting
16:25:43 (21160): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000015FFD637110, 8 bytes long.
Data: < ^ _ > 00 00 5E FD 5F 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000015FFD6377D0, 1080 bytes long.
Data: < ' > 18 27 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:55:47 (15600): wrapper (7.9.26016): starting
16:55:47 (15600): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000020BBA426CA0, 8 bytes long.
Data: < > 00 00 87 BA 0B 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000020BBA4279A0, 1080 bytes long.
Data: < R > C0 52 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:42:16 (19392): wrapper (7.9.26016): starting
18:42:16 (19392): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001F7DDFD6840, 8 bytes long.
Data: < > 00 00 F7 DD F7 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001F7DDFD79A0, 1080 bytes long.
Data: < O > BC 4F 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
13:49:33 (2308): wrapper (7.9.26016): starting
13:49:33 (2308): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000019C3A256DF0, 8 bytes long.
Data: < !: > 00 00 21 3A 9C 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000019C3A2577D0, 1080 bytes long.
Data: < 2 > 14 32 00 00 CD CD CD CD 98 01 00 00 00 00 00 00
Object dump complete.
14:54:19 (6696): wrapper (7.9.26016): starting
14:54:19 (6696): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000021D3BEC8140, 8 bytes long.
Data: < 0< > 00 00 30 3C 1D 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000021D3BEC86C0, 1080 bytes long.
Data: <|5 > 7C 35 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
15:09:36 (11732): wrapper (7.9.26016): starting
15:09:36 (11732): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000002115B9D63F0, 8 bytes long.
Data: < [ > 00 00 F6 5B 11 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002115B9D77D0, 1080 bytes long.
Data: <$T > 24 54 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:18:03 (2188): wrapper (7.9.26016): starting
15:18:03 (2188): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001FCBCE97A60, 8 bytes long.
Data: < > 00 00 E4 BC FC 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001FCBCE98710, 1080 bytes long.
Data: <tZ > 74 5A 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
15:40:30 (3612): wrapper (7.9.26016): starting
15:40:30 (3612): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000002A386516E70, 8 bytes long.
Data: < N > 00 00 4E 86 A3 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002A3865172F0, 1080 bytes long.
Data: <HK > 48 4B 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
15:41:47 (22960): wrapper (7.9.26016): starting
15:41:47 (22960): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000020B68D66C60, 8 bytes long.
Data: < i > 00 00 08 69 0B 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000020B68D677D0, 1080 bytes long.
Data: < > A8 1C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:44:38 (15516): wrapper (7.9.26016): starting
15:44:38 (15516): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001C1942A6340, 8 bytes long.
Data: < m > 00 00 6D 94 C1 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001C1942A6960, 1080 bytes long.
Data: < & > E0 26 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:55:15 (16484): wrapper (7.9.26016): starting
15:55:15 (16484): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x00000236B0416E90, 8 bytes long.
Data: < 6 > 00 00 83 B0 36 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000236B04177D0, 1080 bytes long.
Data: < > F8 09 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
16:23:26 (9620): wrapper (7.9.26016): starting
16:23:26 (9620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000002A7D58C7810, 8 bytes long.
Data: < > 00 00 88 D5 A7 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002A7D58C87E0, 1080 bytes long.
Data: < > F8 09 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
16:36:51 (11780): wrapper (7.9.26016): starting
16:36:51 (11780): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001915C7D8100, 8 bytes long.
Data: < \ > 00 00 C7 5C 91 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001915C7D8810, 1080 bytes long.
Data: <4+ > 34 2B 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:39:02 (22516): wrapper (7.9.26016): starting
16:39:02 (22516): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001B2B8F968A0, 8 bytes long.
Data: < = > 00 00 3D B9 B2 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001B2B8F977D0, 1080 bytes long.
Data: < > EC 1C 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
17:38:08 (20760): wrapper (7.9.26016): starting
17:38:08 (20760): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000025312236490, 8 bytes long.
Data: < S > 00 00 20 12 53 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000253122377D0, 1080 bytes long.
Data: < > E0 08 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:38:34 (10048): wrapper (7.9.26016): starting
18:38:34 (10048): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000002631BD76D40, 8 bytes long.
Data: < c > 00 00 0E 1C 63 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002631BD779A0, 1080 bytes long.
Data: <@$ > 40 24 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
18:40:11 (396): wrapper (7.9.26016): starting
18:40:11 (396): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000002C22F668090, 8 bytes long.
Data: < 1 > 00 00 08 31 C2 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002C22F668290, 1080 bytes long.
Data: < Q > 08 51 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
18:45:14 (14392): wrapper (7.9.26016): starting
18:45:14 (14392): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000002BD74DA6610, 8 bytes long.
Data: < u > 00 00 16 75 BD 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002BD74DA79A0, 1080 bytes long.
Data: <tA > 74 41 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:52:47 (22236): wrapper (7.9.26016): starting
18:52:47 (22236): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001C9BCED6740, 8 bytes long.
Data: < > 00 00 E5 BC C9 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001C9BCED72F0, 1080 bytes long.
Data: < 0 > 84 30 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:57:17 (8444): wrapper (7.9.26016): starting
18:57:17 (8444): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001B3F85768A0, 8 bytes long.
Data: < > 00 00 8D F8 B3 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001B3F85777D0, 1080 bytes long.
Data: <d- > 64 2D 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:32:52 (3120): wrapper (7.9.26016): starting
17:32:52 (3120): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001CF44E06C10, 8 bytes long.
Data: < (E > 00 00 28 45 CF 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001CF44E077D0, 1080 bytes long.
Data: < > F8 14 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
17:35:26 (7152): wrapper (7.9.26016): starting
17:35:26 (7152): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001C691727160, 8 bytes long.
Data: < > 00 00 BA 91 C6 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001C6917277D0, 1080 bytes long.
Data: < > 00 16 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:36:59 (11364): wrapper (7.9.26016): starting
17:36:59 (11364): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000029E350972D0, 8 bytes long.
Data: < L5 > 00 00 4C 35 9E 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000029E35097800, 1080 bytes long.
Data: < ! > 0C 21 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
18:14:35 (8868): wrapper (7.9.26016): starting
18:14:35 (8868): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000025B838070B0, 8 bytes long.
Data: < [ > 00 00 C6 83 5B 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000025B838082B0, 1080 bytes long.
Data: < ) > 14 29 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
18:50:30 (5312): wrapper (7.9.26016): starting
18:50:30 (5312): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x0000017318F76FD0, 8 bytes long.
Data: < s > 00 00 87 1A 73 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000017318F777D0, 1080 bytes long.
Data: < > FC 20 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
21:13:40 (5088): wrapper (7.9.26016): starting
21:13:40 (5088): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000002851F8B6980, 8 bytes long.
Data: < > 00 00 88 1F 85 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002851F8B7860, 1080 bytes long.
Data: < : > E8 3A 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:47:00 (4920): wrapper (7.9.26016): starting
21:47:00 (4920): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1523} normal block at 0x000001DF28067DB0, 8 bytes long.
Data: < =( > 00 00 3D 28 DF 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001DF280687E0, 1080 bytes long.
Data: < > B4 06 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
09:19:16 (7512): wrapper (7.9.26016): starting
09:19:16 (7512): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x0000025E952E6BE0, 8 bytes long.
Data: < | ^ > 00 00 7C 95 5E 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000025E952E7610, 1080 bytes long.
Data: <X6 > 58 36 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:25:51 (18520): wrapper (7.9.26016): starting
09:25:51 (18520): 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) : {1521} normal block at 0x0000028F905B7070, 8 bytes long.
Data: < X > 00 00 58 90 8F 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000028F905B7EB0, 1080 bytes long.
Data: <T' > 54 27 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:34:21 (16880): wrapper (7.9.26016): starting
09:34:21 (16880): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x000002289F848310, 8 bytes long.
Data: < ( > 00 00 C8 9F 28 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002289F848AC0, 1080 bytes long.
Data: < > 80 11 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:44:24 (8484): wrapper (7.9.26016): starting
09:44:24 (8484): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x000001A458486E60, 8 bytes long.
Data: < Y > 00 00 D6 59 A4 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001A458487610, 1080 bytes long.
Data: <X- > 58 2D 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:51:14 (2624): wrapper (7.9.26016): starting
09:51:14 (2624): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x000001CAD64A6B60, 8 bytes long.
Data: < > 00 00 AC D6 CA 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001CAD64A7A90, 1080 bytes long.
Data: < > CC 18 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:02:11 (8068): wrapper (7.9.26016): starting
10:02:11 (8068): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits.
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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 212, in _update_replica
pot = job['openmm_worker'].get_energy()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
return self._worker_getenergy()
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
state = self.simulation.context.getState(getEnergy = True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Particle coordinate is NaN. For more information, see https://github.com/openmm/openmm/wiki/Frequently-Asked-Questions#nan
13:19:25 (8068): C:/Windows/system32/cmd.exe exited; CPU time 11337.203125
13:19:25 (8068): app exit status: 0x16
13:19:25 (8068): 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: 179647908 bytes.
Dumping objects ->
{1609} normal block at 0x0000018B53FE5B70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1598} normal block at 0x0000018B53FE5CC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1587} normal block at 0x0000018B53FE5B00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1576} normal block at 0x0000018B53FE5BE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1565} normal block at 0x0000018B53FE59B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1534} normal block at 0x0000018B53FD0F20, 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) : {1521} normal block at 0x0000018B53FE6240, 8 bytes long.
Data: < IT > 00 00 49 54 8B 01 00 00
{306} normal block at 0x0000018B53FE68D0, 8 bytes long.
Data: < v S > 20 76 FE 53 8B 01 00 00
{297} normal block at 0x0000018B53FD2530, 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 0x0000018B53FE6510, 16 bytes long.
Data: <(u S > 28 75 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018B53FE6B50, 16 bytes long.
Data: < u S > 00 75 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018B53FE06D0, 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 0x0000018B53FE7050, 16 bytes long.
Data: < t S > D8 74 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018B53FE64C0, 16 bytes long.
Data: < t S > B0 74 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018B53FE6A10, 16 bytes long.
Data: < t S > 88 74 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018B53FE6AB0, 16 bytes long.
Data: <`t S > 60 74 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018B53FE56A0, 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 0x0000018B53FE70F0, 16 bytes long.
Data: < S > F8 F9 FC 53 8B 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018B53FE0E50, 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 0x0000018B53FE6F60, 16 bytes long.
Data: < S > D0 F9 FC 53 8B 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018B53FE6790, 16 bytes long.
Data: < S > A8 F9 FC 53 8B 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018B53FE62E0, 16 bytes long.
Data: < S > 80 F9 FC 53 8B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018B53FE6E20, 16 bytes long.
Data: <X S > 58 F9 FC 53 8B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018B53FE6420, 16 bytes long.
Data: <0 S > 30 F9 FC 53 8B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018B53FE6290, 16 bytes long.
Data: < S > 08 F9 FC 53 8B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018B53FE02B0, 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 0x0000018B53FE6EC0, 16 bytes long.
Data: < S > E0 F8 FC 53 8B 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018B53FCF8E0, 320 bytes long.
Data: < n S S > C0 6E FE 53 8B 01 00 00 B0 02 FE 53 8B 01 00 00
{276} normal block at 0x0000018B53FE63D0, 16 bytes long.
Data: <@t S > 40 74 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018B53FE7190, 16 bytes long.
Data: < t S > 18 74 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018B53FE1090, 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 0x0000018B53FE69C0, 16 bytes long.
Data: < s S > F0 73 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018B53FE0A90, 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 0x0000018B53FE6CE0, 16 bytes long.
Data: <8s S > 38 73 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018B53FE6970, 16 bytes long.
Data: < s S > 10 73 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018B53FE6A60, 16 bytes long.
Data: < r S > E8 72 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018B53FE6FB0, 16 bytes long.
Data: < r S > C0 72 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018B53FE6880, 16 bytes long.
Data: < r S > 98 72 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018B53FE7140, 16 bytes long.
Data: <pr S > 70 72 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018B53FE6830, 16 bytes long.
Data: < Z S > 90 5A FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018B53FE5A90, 40 bytes long.
Data: <0h S S > 30 68 FE 53 8B 01 00 00 20 0F FD 53 8B 01 00 00
{262} normal block at 0x0000018B53FE6C90, 16 bytes long.
Data: <Pr S > 50 72 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018B53FE6C40, 16 bytes long.
Data: <(r S > 28 72 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000018B53FE1030, 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 0x0000018B53FE6740, 16 bytes long.
Data: < r S > 00 72 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000018B53FE7200, 992 bytes long.
Data: <@g S 0 S > 40 67 FE 53 8B 01 00 00 30 10 FE 53 8B 01 00 00
{94} normal block at 0x0000018B53FE0AF0, 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 0x0000018B53FDE8C0, 16 bytes long.
Data: <0V S > 30 56 FE 53 8B 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000018B53FE5630, 40 bytes long.
Data: < S S > C0 E8 FD 53 8B 01 00 00 F0 0A FE 53 8B 01 00 00
{71} normal block at 0x0000018B53FDDC90, 16 bytes long.
Data: < > 80 EA CA CE F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018B53FDE730, 16 bytes long.
Data: <@ > 40 E9 CA CE F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018B53FDE0F0, 16 bytes long.
Data: < W > F8 57 C7 CE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018B53FDE550, 16 bytes long.
Data: < W > D8 57 C7 CE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018B53FDDE70, 16 bytes long.
Data: <P > 50 04 C7 CE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018B53FDDC40, 16 bytes long.
Data: <0 > 30 04 C7 CE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018B53FDDAB0, 16 bytes long.
Data: < > E0 02 C7 CE F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000018B53FDEA00, 16 bytes long.
Data: < > 10 04 C7 CE F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000018B53FDE7D0, 16 bytes long.
Data: <p > 70 04 C7 CE F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000018B53FDE0A0, 16 bytes long.
Data: < > 18 C0 C5 CE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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