Task 38580590

Name JNK1_A20_A30_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-0-5-RND9267_0
Workunit 31545323
Created 11 Dec 2025, 16:08:44 UTC
Sent 11 Dec 2025, 16:08:50 UTC
Report deadline 16 Dec 2025, 16:08:50 UTC
Received 17 Dec 2025, 22:15:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 536806
Run time 6 hours 39 min 6 sec
CPU time 6 hours 27 min 21 sec
Validate state Task was reported too late to validate
Credit 0.00
Device peak FLOPS 8,190.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 638.55 MB
Peak swap size 3.75 GB
Peak disk usage 5.17 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
02:00:59 (22492): wrapper (7.9.26016): starting
02:00:59 (22492): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A30_0.pdb
QB_A20_A30_0.xml
QB_A20_A30_equil.pdb
QB_A20_A30.inpcrd
QB_A20_A30_input.yaml
QB_A20_A30_mdlambda.pdb
QB_A20_A30_min.pdb
QB_A20_A30_npt.pdb
QB_A20_A30_out_merged_nowater.pdb
QB_A20_A30.pdb
QB_A20_A30.prmtop
QB_A20_A30_sys.xml
QB_A20_A30_therm.pdb
run.bat
run.sh
02:01:04 (22492): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:01:04 (22492): 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
    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\0\pip-build-env-ddd8d56e\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-ddd8d56e\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-ddd8d56e\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-hkv5chv1\atom_openmm.egg-info
  writing C:\ProgramData\BOINC\slots\0\pip-modern-metadata-hkv5chv1\atom_openmm.egg-info\PKG-INFO
  writing dependency_links to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-hkv5chv1\atom_openmm.egg-info\dependency_links.txt
  writing entry points to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-hkv5chv1\atom_openmm.egg-info\entry_points.txt
  writing requirements to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-hkv5chv1\atom_openmm.egg-info\requires.txt
  writing top-level names to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-hkv5chv1\atom_openmm.egg-info\top_level.txt
  writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-hkv5chv1\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-hkv5chv1\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-hkv5chv1\atom_openmm.egg-info\SOURCES.txt'
  creating 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-hkv5chv1\atom_openmm-8.4.0.dist-info'
  Running command Building wheel for atom-openmm (pyproject.toml)
  C:\ProgramData\BOINC\slots\0\pip-build-env-ddd8d56e\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-3bsy5iqf\.tmp-z93jppcu\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) : {3835381} normal block at 0x000001E4ADF7C9D0, 8 bytes long.
 Data: <        > 00 00 ED AD E4 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3834068} normal block at 0x000001E4AFC3E7C0, 1080 bytes long.
 Data: <x       @       > 78 13 00 00 CD CD CD CD 40 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E4ADF86460, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
01:04:24 (15552): wrapper (7.9.26016): starting
01:04:24 (15552): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#131;T&#131;u&#131;f&#131;B&#131;&#140;&#131;N&#131;g&#131;&#138;&#130;&#220;&#130;&#189;&#130;&#205;&#131;t&#131;@&#131;C&#131;&#139; C:\ProgramData\BOINC\slots\0\tmp &#130;&#205;&#138;&#249;&#130;&#201;&#145;&#182;&#141;&#221;&#130;&#181;&#130;&#220;&#130;&#183;&#129;B
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850064} normal block at 0x000001E1ABBB8DE0, 8 bytes long.
 Data: <        > 00 00 B8 AB E1 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848751} normal block at 0x000001E1ABC9D440, 1080 bytes long.
 Data: < F      @       > 10 46 00 00 CD CD CD CD 40 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E1ABBC3950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
01:02:44 (2620): wrapper (7.9.26016): starting
01:02:44 (2620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#131;T&#131;u&#131;f&#131;B&#131;&#140;&#131;N&#131;g&#131;&#138;&#130;&#220;&#130;&#189;&#130;&#205;&#131;t&#131;@&#131;C&#131;&#139; C:\ProgramData\BOINC\slots\0\tmp &#130;&#205;&#138;&#249;&#130;&#201;&#145;&#182;&#141;&#221;&#130;&#181;&#130;&#220;&#130;&#183;&#129;B
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850064} normal block at 0x00000196A22D7BD0, 8 bytes long.
 Data: <        > 00 00 BB A3 96 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848751} normal block at 0x00000196A23BEA80, 1080 bytes long.
 Data: < R      T       > D4 52 00 00 CD CD CD CD 54 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000196A22E28B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
02:32:25 (19812): wrapper (7.9.26016): starting
02:32:25 (19812): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#131;T&#131;u&#131;f&#131;B&#131;&#140;&#131;N&#131;g&#131;&#138;&#130;&#220;&#130;&#189;&#130;&#205;&#131;t&#131;@&#131;C&#131;&#139; C:\ProgramData\BOINC\slots\0\tmp &#130;&#205;&#138;&#249;&#130;&#201;&#145;&#182;&#141;&#221;&#130;&#181;&#130;&#220;&#130;&#183;&#129;B
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850064} normal block at 0x00000225DBEA7F80, 8 bytes long.
 Data: <    %   > 00 00 E5 DB 25 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848751} normal block at 0x00000225DBF8DFD0, 1080 bytes long.
 Data: < 6      0       > 10 36 00 00 CD CD CD CD 30 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000225DBEB2900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
02:39:28 (20964): wrapper (7.9.26016): starting
02:39:28 (20964): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#131;T&#131;u&#131;f&#131;B&#131;&#140;&#131;N&#131;g&#131;&#138;&#130;&#220;&#130;&#189;&#130;&#205;&#131;t&#131;@&#131;C&#131;&#139; C:\ProgramData\BOINC\slots\0\tmp &#130;&#205;&#138;&#249;&#130;&#201;&#145;&#182;&#141;&#221;&#130;&#181;&#130;&#220;&#130;&#183;&#129;B
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850064} normal block at 0x000001FFCB547E30, 8 bytes long.
 Data: <  P     > 00 00 50 CB FF 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848751} normal block at 0x000001FFCB62DFD0, 1080 bytes long.
 Data: < %      H       > 08 25 00 00 CD CD CD CD 48 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FFCB5528F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
03:39:52 (27804): wrapper (7.9.26016): starting
03:39:52 (27804): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#131;T&#131;u&#131;f&#131;B&#131;&#140;&#131;N&#131;g&#131;&#138;&#130;&#220;&#130;&#189;&#130;&#205;&#131;t&#131;@&#131;C&#131;&#139; C:\ProgramData\BOINC\slots\0\tmp &#130;&#205;&#138;&#249;&#130;&#201;&#145;&#182;&#141;&#221;&#130;&#181;&#130;&#220;&#130;&#183;&#129;B
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850064} normal block at 0x00000212B3DA7940, 8 bytes long.
 Data: <        > 00 00 80 B5 12 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848751} normal block at 0x00000212B3E8DFD0, 1080 bytes long.
 Data: <                > AC 14 00 00 CD CD CD CD 98 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000212B3DB2900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
01:01:36 (15580): wrapper (7.9.26016): starting
01:01:36 (15580): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#131;T&#131;u&#131;f&#131;B&#131;&#140;&#131;N&#131;g&#131;&#138;&#130;&#220;&#130;&#189;&#130;&#205;&#131;t&#131;@&#131;C&#131;&#139; C:\ProgramData\BOINC\slots\0\tmp &#130;&#205;&#138;&#249;&#130;&#201;&#145;&#182;&#141;&#221;&#130;&#181;&#130;&#220;&#130;&#183;&#129;B
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850064} normal block at 0x0000029E236DA8B0, 8 bytes long.
 Data: <   %    > 00 00 0D 25 9E 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848751} normal block at 0x0000029E256D54F0, 1080 bytes long.
 Data: <|_              > 7C 5F 00 00 CD CD CD CD D8 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000029E236E40F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
01:02:45 (29480): wrapper (7.9.26016): starting
01:02:45 (29480): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#131;T&#131;u&#131;f&#131;B&#131;&#140;&#131;N&#131;g&#131;&#138;&#130;&#220;&#130;&#189;&#130;&#205;&#131;t&#131;@&#131;C&#131;&#139; C:\ProgramData\BOINC\slots\0\tmp &#130;&#205;&#138;&#249;&#130;&#201;&#145;&#182;&#141;&#221;&#130;&#181;&#130;&#220;&#130;&#183;&#129;B
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
03:11:20 (29480): C:/Windows/system32/cmd.exe exited; CPU time 7669.109375
03:11:20 (29480): 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: 160977418 bytes.
Dumping objects ->
{3850129} normal block at 0x0000029354AE80D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850118} normal block at 0x0000029354AE81B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850107} normal block at 0x0000029354AE7420, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850096} normal block at 0x0000029354AE8060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850085} normal block at 0x0000029354AE7DC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850054} normal block at 0x0000029356A25FC0, 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) : {3850041} normal block at 0x0000029354AB8270, 8 bytes long.
 Data: <  &#169;T    > 00 00 A9 54 93 02 00 00 
{3848752} normal block at 0x0000029354AB7820, 8 bytes long.
 Data: <&#192;&#178;&#170;T    > C0 B2 AA 54 93 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000029354AC2D80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000029354AAEDB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000029354AC3FA0, 16 bytes long.
 Data: <XR&#172;T            > 58 52 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029354AC3F50, 16 bytes long.
 Data: <0R&#172;T            > 30 52 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000029354AB90F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000029354AC3E60, 16 bytes long.
 Data: < R&#172;T            > 08 52 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029354AC3F00, 16 bytes long.
 Data: < Q&#172;T            > E0 51 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029354AC3E10, 16 bytes long.
 Data: <&#184;Q&#172;T            > B8 51 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029354AC3DC0, 16 bytes long.
 Data: < Q&#172;T            > 90 51 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029354ABDBC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000029354AC4D10, 16 bytes long.
 Data: <X<&#172;T            > 58 3C AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029354AB9690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000029354AC4CC0, 16 bytes long.
 Data: <0<&#172;T            > 30 3C AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029354AC4C70, 16 bytes long.
 Data: < <&#172;T            > 08 3C AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029354AC4C20, 16 bytes long.
 Data: < ;&#172;T            > E0 3B AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029354AC4BD0, 16 bytes long.
 Data: <&#184;;&#172;T            > B8 3B AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029354AC4B30, 16 bytes long.
 Data: < ;&#172;T            > 90 3B AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029354AC4B80, 16 bytes long.
 Data: <h;&#172;T            > 68 3B AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029354AB88B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000029354AC49F0, 16 bytes long.
 Data: <@;&#172;T            > 40 3B AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029354AC3B40, 320 bytes long.
 Data: < I&#172;T    &#176; &#171;T    > F0 49 AC 54 93 02 00 00 B0 88 AB 54 93 02 00 00 
{279} normal block at 0x0000029354AC4180, 16 bytes long.
 Data: <pQ&#172;T            > 70 51 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029354AC49A0, 16 bytes long.
 Data: <HQ&#172;T            > 48 51 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029354AB8970, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000029354AC43B0, 16 bytes long.
 Data: < Q&#172;T            > 20 51 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029354AB9090, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000029354AC4860, 16 bytes long.
 Data: <hP&#172;T            > 68 50 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029354AC47C0, 16 bytes long.
 Data: <@P&#172;T            > 40 50 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029354AC4770, 16 bytes long.
 Data: < P&#172;T            > 18 50 AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029354AC3EB0, 16 bytes long.
 Data: < O&#172;T            > F0 4F AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029354AC4360, 16 bytes long.
 Data: <&#200;O&#172;T            > C8 4F AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029354AC40E0, 16 bytes long.
 Data: < O&#172;T            > A0 4F AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029354AC4680, 16 bytes long.
 Data: <`&#215;&#171;T            > 60 D7 AB 54 93 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029354ABD760, 40 bytes long.
 Data: < F&#172;T    &#192;_&#162;V    > 80 46 AC 54 93 02 00 00 C0 5F A2 56 93 02 00 00 
{265} normal block at 0x0000029354AC4400, 16 bytes long.
 Data: < O&#172;T            > 80 4F AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029354AC4630, 16 bytes long.
 Data: <XO&#172;T            > 58 4F AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029354AB8910, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000029354AC4A40, 16 bytes long.
 Data: <0O&#172;T            > 30 4F AC 54 93 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029354AC4F30, 992 bytes long.
 Data: <@J&#172;T      &#171;T    > 40 4A AC 54 93 02 00 00 10 89 AB 54 93 02 00 00 
{97} normal block at 0x0000029354AB9390, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000029354AB8720, 16 bytes long.
 Data: <p&#218;&#171;T            > 70 DA AB 54 93 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000029354ABDA70, 40 bytes long.
 Data: <  &#171;T      &#171;T    > 20 87 AB 54 93 02 00 00 90 93 AB 54 93 02 00 00 
{72} normal block at 0x0000029354AB7A00, 16 bytes long.
 Data: <   :            > 80 EA 81 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000029354AB79B0, 16 bytes long.
 Data: <@  :            > 40 E9 81 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029354AB8180, 16 bytes long.
 Data: < W~:            > F8 57 7E 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029354AB83B0, 16 bytes long.
 Data: <&#216;W~:            > D8 57 7E 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029354AB7DC0, 16 bytes long.
 Data: <P ~:            > 50 04 7E 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029354AB7D20, 16 bytes long.
 Data: <0 ~:            > 30 04 7E 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029354AB84A0, 16 bytes long.
 Data: <  ~:            > E0 02 7E 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029354AB85E0, 16 bytes long.
 Data: <  ~:            > 10 04 7E 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029354AB8310, 16 bytes long.
 Data: <p ~:            > 70 04 7E 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029354AB7CD0, 16 bytes long.
 Data: < &#192;|:            > 18 C0 7C 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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