Task 38580666

Name JNK1_A38_A37_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-0-5-RND6007_1
Workunit 31545391
Created 11 Dec 2025, 16:17:50 UTC
Sent 11 Dec 2025, 16:17:59 UTC
Report deadline 16 Dec 2025, 16:17:59 UTC
Received 12 Dec 2025, 15:05:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645261
Run time 15 hours 36 min 54 sec
CPU time 15 hours 10 min 42 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 12,953.58 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.29 MB
Peak swap size 12.87 GB
Peak disk usage 3.66 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:19:51 (16460): wrapper (7.9.26016): starting
18:19:51 (16460): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A38_A37_0.pdb
QB_A38_A37_0.xml
QB_A38_A37_equil.pdb
QB_A38_A37.inpcrd
QB_A38_A37_input.yaml
QB_A38_A37_mdlambda.pdb
QB_A38_A37_min.pdb
QB_A38_A37_npt.pdb
QB_A38_A37_out_merged_nowater.pdb
QB_A38_A37.pdb
QB_A38_A37.prmtop
QB_A38_A37_sys.xml
QB_A38_A37_therm.pdb
run.bat
run.sh
18:19:53 (16460): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:19:53 (16460): 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\0\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\0\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
    Downloading 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)
  Downloading packaging-25.0-py3-none-any.whl (66 kB)
  Installing collected packages: setuptools, packaging, setuptools-scm
    Creating C:\ProgramData\BOINC\slots\0\pip-build-env-3x6celv_\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\0\pip-build-env-3x6celv_\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\0\pip-build-env-3x6celv_\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\0\pip-modern-metadata-_uki9fq2\atom_openmm.egg-info
  writing C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_uki9fq2\atom_openmm.egg-info\PKG-INFO
  writing dependency_links to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_uki9fq2\atom_openmm.egg-info\dependency_links.txt
  writing entry points to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_uki9fq2\atom_openmm.egg-info\entry_points.txt
  writing requirements to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_uki9fq2\atom_openmm.egg-info\requires.txt
  writing top-level names to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_uki9fq2\atom_openmm.egg-info\top_level.txt
  writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_uki9fq2\atom_openmm.egg-info\SOURCES.txt'
  listing git files failed - pretending there aren't any
  reading manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_uki9fq2\atom_openmm.egg-info\SOURCES.txt'
  reading manifest template 'MANIFEST.in'
  adding license file 'LICENSE'
  writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_uki9fq2\atom_openmm.egg-info\SOURCES.txt'
  creating 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-_uki9fq2\atom_openmm-8.4.0.dist-info'
  Running command Building wheel for atom-openmm (pyproject.toml)
  C:\ProgramData\BOINC\slots\0\pip-build-env-3x6celv_\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\0\pip-wheel-1zm8ynkc\.tmp-if8o3h5q\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\0\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) : {3835456} normal block at 0x000002D07BCFF230, 8 bytes long.
 Data: <   |    > 00 00 19 7C D0 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833982} normal block at 0x000002D07DA181A0, 1080 bytes long.
 Data: < N              > 94 4E 00 00 CD CD CD CD 18 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000002D07BCF70D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
21:14:04 (40280): wrapper (7.9.26016): starting
21:14:04 (40280): 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\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1790} normal block at 0x0000020C3AAE8140, 8 bytes long.
 Data: <   :    > 00 00 AA 3A 0C 02 00 00 
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x0000020C3AAE7360, 1080 bytes long.
 Data: <T'      \       > 54 27 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00 
Object dump complete.
21:20:06 (34876): wrapper (7.9.26016): starting
21:20:06 (34876): 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\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1790} normal block at 0x000002C818428580, 8 bytes long.
 Data: <  >     > 00 00 3E 18 C8 02 00 00 
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000002C818427340, 1080 bytes long.
 Data: <p8              > 70 38 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
21:29:42 (25704): wrapper (7.9.26016): starting
21:29:42 (25704): 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\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1790} normal block at 0x00000235FD258C50, 8 bytes long.
 Data: <    5   > 00 00 1C FD 35 02 00 00 
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x00000235FD258320, 1080 bytes long.
 Data: <T               > 54 9B 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
22:11:18 (9560): wrapper (7.9.26016): starting
22:11:18 (9560): 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\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1790} normal block at 0x000002393FCB94C0, 8 bytes long.
 Data: <   ?9   > 00 00 C6 3F 39 02 00 00 
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000002393FCB83C0, 1080 bytes long.
 Data: <@               > 40 AC 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
03:15:11 (29288): wrapper (7.9.26016): starting
03:15:11 (29288): 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\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1790} normal block at 0x000001DB9EFD94C0, 8 bytes long.
 Data: <  I     > 00 00 49 9F DB 01 00 00 
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000001DB9EFD83C0, 1080 bytes long.
 Data: <                > 8C A7 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
03:40:52 (5700): wrapper (7.9.26016): starting
03:40:52 (5700): 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\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1790} normal block at 0x000001A8DE998FC0, 8 bytes long.
 Data: <        > 00 00 94 DE A8 01 00 00 
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000001A8DE9983C0, 1080 bytes long.
 Data: <                > BC B3 00 00 CD CD CD CD AC 01 00 00 00 00 00 00 
Object dump complete.
03:55:49 (41660): wrapper (7.9.26016): starting
03:55:49 (41660): 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\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1790} normal block at 0x000002326CBC7570, 8 bytes long.
 Data: <   m2   > 00 00 08 6D 32 02 00 00 
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x000002326CBC6290, 1080 bytes long.
 Data: <                > 00 B2 00 00 CD CD CD CD A8 01 00 00 00 00 00 00 
Object dump complete.
10:31:03 (39440): wrapper (7.9.26016): starting
10:31:03 (39440): 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\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1790} normal block at 0x00000202B51292E0, 8 bytes long.
 Data: <  j     > 00 00 6A B5 02 02 00 00 
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x00000202B51283C0, 1080 bytes long.
 Data: <                > BC 90 00 00 CD CD CD CD AC 01 00 00 00 00 00 00 
Object dump complete.
10:36:54 (2272): wrapper (7.9.26016): starting
10:36:54 (2272): 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\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1790} normal block at 0x0000017CBB8297E0, 8 bytes long.
 Data: <    |   > 00 00 CB BB 7C 01 00 00 
..\lib\diagnostics_win.cpp(417) : {316} normal block at 0x0000017CBB8283C0, 1080 bytes long.
 Data: <L               > 4C 13 00 00 CD CD CD CD B0 01 00 00 00 00 00 00 
Object dump complete.
10:55:56 (11716): wrapper (7.9.26016): starting
10:55:56 (11716): 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\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
16:04:24 (11716): C:/Windows/system32/cmd.exe exited; CPU time 17530.890625
16:04:24 (11716): called boinc_finish(0)
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: 377483614 bytes.
Dumping objects ->
{1878} normal block at 0x0000015B95BC3F00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1867} normal block at 0x0000015B95BC4520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1856} normal block at 0x0000015B95BC4210, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1845} normal block at 0x0000015B95BC3F70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1834} normal block at 0x0000015B95BC3FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1803} normal block at 0x0000015B95BB2DD0, 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) : {1790} normal block at 0x0000015B95BC5D80, 8 bytes long.
 Data: <    [   > 00 00 0F 96 5B 01 00 00 
{317} normal block at 0x0000015B95BC6410, 8 bytes long.
 Data: <`q  [   > 60 71 BC 95 5B 01 00 00 
{308} normal block at 0x0000015B95BB02A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{307} normal block at 0x0000015B95BC6370, 16 bytes long.
 Data: <hp  [           > 68 70 BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000015B95BC6000, 16 bytes long.
 Data: <@p  [           > 40 70 BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000015B95BBF730, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{304} normal block at 0x0000015B95BC6320, 16 bytes long.
 Data: < p  [           > 18 70 BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000015B95BC69B0, 16 bytes long.
 Data: < o  [           > F0 6F BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000015B95BC5FB0, 16 bytes long.
 Data: < o  [           > C8 6F BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000015B95BC6780, 16 bytes long.
 Data: < o  [           > A0 6F BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000015B95BC42F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{299} normal block at 0x0000015B95BC5F60, 16 bytes long.
 Data: < \  [           > 18 5C BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000015B95BBFC10, 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 0x0000015B95BC6730, 16 bytes long.
 Data: < [  [           > F0 5B BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015B95BC6C30, 16 bytes long.
 Data: < [  [           > C8 5B BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015B95BC5F10, 16 bytes long.
 Data: < [  [           > A0 5B BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015B95BC6C80, 16 bytes long.
 Data: <x[  [           > 78 5B BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015B95BC6690, 16 bytes long.
 Data: <P[  [           > 50 5B BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015B95BC6BE0, 16 bytes long.
 Data: <([  [           > 28 5B BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015B95BC0150, 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 0x0000015B95BC5EC0, 16 bytes long.
 Data: < [  [           > 00 5B BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015B95BC5B00, 320 bytes long.
 Data: < ^  [   P   [   > C0 5E BC 95 5B 01 00 00 50 01 BC 95 5B 01 00 00 
{287} normal block at 0x0000015B95BC5E70, 16 bytes long.
 Data: < o  [           > 80 6F BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015B95BC5E20, 16 bytes long.
 Data: <Xo  [           > 58 6F BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015B95BBFF70, 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 0x0000015B95BC6910, 16 bytes long.
 Data: <0o  [           > 30 6F BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015B95BC01B0, 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 0x0000015B95BC6640, 16 bytes long.
 Data: <xn  [           > 78 6E BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015B95BC6CD0, 16 bytes long.
 Data: <Pn  [           > 50 6E BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015B95BC61E0, 16 bytes long.
 Data: <(n  [           > 28 6E BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015B95BC65F0, 16 bytes long.
 Data: < n  [           > 00 6E BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015B95BC6AF0, 16 bytes long.
 Data: < m  [           > D8 6D BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015B95BC6140, 16 bytes long.
 Data: < m  [           > B0 6D BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015B95BC6500, 16 bytes long.
 Data: < F  [           > 00 46 BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015B95BC4600, 40 bytes long.
 Data: < e  [    -  [   > 00 65 BC 95 5B 01 00 00 D0 2D BB 95 5B 01 00 00 
{273} normal block at 0x0000015B95BC6230, 16 bytes long.
 Data: < m  [           > 90 6D BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015B95BC63C0, 16 bytes long.
 Data: <hm  [           > 68 6D BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015B95BBF9D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{270} normal block at 0x0000015B95BC5DD0, 16 bytes long.
 Data: <@m  [           > 40 6D BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015B95BC6D40, 992 bytes long.
 Data: < ]  [       [   > D0 5D BC 95 5B 01 00 00 D0 F9 BB 95 5B 01 00 00 
{105} normal block at 0x0000015B95BBF970, 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 0x0000015B95BBE120, 16 bytes long.
 Data: < D  [           > B0 44 BC 95 5B 01 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x0000015B95BC44B0, 40 bytes long.
 Data: <    [   p   [   > 20 E1 BB 95 5B 01 00 00 70 F9 BB 95 5B 01 00 00 
{82} normal block at 0x0000015B95BBDEF0, 16 bytes long.
 Data: <   F            > 80 EA B9 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000015B95BBDDB0, 16 bytes long.
 Data: <@  F            > 40 E9 B9 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000015B95BBE030, 16 bytes long.
 Data: < W F            > F8 57 B6 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000015B95BBE170, 16 bytes long.
 Data: < W F            > D8 57 B6 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000015B95BBDB30, 16 bytes long.
 Data: <P  F            > 50 04 B6 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000015B95BBD950, 16 bytes long.
 Data: <0  F            > 30 04 B6 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000015B95BBE490, 16 bytes long.
 Data: <   F            > E0 02 B6 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000015B95BBDE00, 16 bytes long.
 Data: <   F            > 10 04 B6 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000015B95BBDD60, 16 bytes long.
 Data: <p  F            > 70 04 B6 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000015B95BBE260, 16 bytes long.
 Data: <   F            > 18 C0 B4 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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