Task 38581949

Name PFKFB3_A13_A36_r0_5-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND6836_0
Workunit 31546334
Created 12 Dec 2025, 17:50:16 UTC
Sent 12 Dec 2025, 17:50:23 UTC
Report deadline 17 Dec 2025, 17:50:23 UTC
Received 13 Dec 2025, 7:59:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631605
Run time 7 hours 26 min 40 sec
CPU time 6 hours 56 min 20 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 6,458.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.13 MB
Peak swap size 3.07 GB
Peak disk usage 3.69 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
13:43:09 (95148): wrapper (7.9.26016): starting
13:43:09 (95148): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A36_0.pdb
QB_A13_A36_0.xml
QB_A13_A36_equil.pdb
QB_A13_A36.inpcrd
QB_A13_A36_input.yaml
QB_A13_A36_mdlambda.pdb
QB_A13_A36_min.pdb
QB_A13_A36_npt.pdb
QB_A13_A36.pdb
QB_A13_A36.prmtop
QB_A13_A36_sys.xml
QB_A13_A36_therm.pdb
run.bat
run.sh
13:43:11 (95148): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:43:11 (95148): 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) : {3835120} normal block at 0x0000026F858B03F0, 8 bytes long.
 Data: <    o   > 00 00 D7 85 6F 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000026F875DD3B0, 1080 bytes long.
 Data: <                > C4 8B 01 00 CD CD CD CD A0 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000026F858B5DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
14:32:34 (97132): wrapper (7.9.26016): starting
14:32:34 (97132): 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-zq3s0y3i\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-zq3s0y3i\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-zq3s0y3i\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-qfdesimv\atom_openmm.egg-info
  writing C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qfdesimv\atom_openmm.egg-info\PKG-INFO
  writing dependency_links to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qfdesimv\atom_openmm.egg-info\dependency_links.txt
  writing entry points to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qfdesimv\atom_openmm.egg-info\entry_points.txt
  writing requirements to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qfdesimv\atom_openmm.egg-info\requires.txt
  writing top-level names to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qfdesimv\atom_openmm.egg-info\top_level.txt
  writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qfdesimv\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-qfdesimv\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-qfdesimv\atom_openmm.egg-info\SOURCES.txt'
  creating 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qfdesimv\atom_openmm-8.4.0.dist-info'
  Running command Building wheel for atom-openmm (pyproject.toml)
  C:\ProgramData\BOINC\slots\0\pip-build-env-zq3s0y3i\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-tkf_vx6f\.tmp-7jn15cy0\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) : {1465} normal block at 0x000001737FEACA50, 8 bytes long.
 Data: <    s   > 00 00 A0 01 73 01 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001737FE9C6F0, 1080 bytes long.
 Data: <                > 9C F2 00 00 CD CD CD CD 84 02 00 00 00 00 00 00 
Object dump complete.
15:08:49 (96496): wrapper (7.9.26016): starting
15:08:49 (96496): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x0000022B4CB21880, 8 bytes long.
 Data: <   L+   > 00 00 AC 4C 2B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000022B4CB2CD90, 1080 bytes long.
 Data: <8l              > 38 6C 01 00 CD CD CD CD 8C 02 00 00 00 00 00 00 
Object dump complete.
15:15:02 (53764): wrapper (7.9.26016): starting
15:15:02 (53764): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x00000213257AF240, 8 bytes long.
 Data: <  s%    > 00 00 73 25 13 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000213257B0680, 1080 bytes long.
 Data: <(h              > 28 68 01 00 CD CD CD CD 88 02 00 00 00 00 00 00 
Object dump complete.
15:23:53 (92240): wrapper (7.9.26016): starting
15:23:53 (92240): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x00000262698FCBE0, 8 bytes long.
 Data: <   ib   > 00 00 DD 69 62 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000262698EC710, 1080 bytes long.
 Data: <                > 18 8B 01 00 CD CD CD CD 90 02 00 00 00 00 00 00 
Object dump complete.
16:09:02 (102988): wrapper (7.9.26016): starting
16:09:02 (102988): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x000001B0EF271480, 8 bytes long.
 Data: <        > 00 00 B7 F0 B0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001B0EF27CA80, 1080 bytes long.
 Data: <                > AC 1A 01 00 CD CD CD CD 94 02 00 00 00 00 00 00 
Object dump complete.
16:14:04 (98640): wrapper (7.9.26016): starting
16:14:04 (98640): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x000001D08F6DC960, 8 bytes long.
 Data: <        > 00 00 A1 8F D0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001D08F6CCF60, 1080 bytes long.
 Data: <                > 08 95 01 00 CD CD CD CD 88 02 00 00 00 00 00 00 
Object dump complete.
16:17:47 (99940): wrapper (7.9.26016): starting
16:17:47 (99940): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x000002AD6A92D720, 8 bytes long.
 Data: <  Fl    > 00 00 46 6C AD 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002AD6A92CD40, 1080 bytes long.
 Data: <                > 88 8B 01 00 CD CD CD CD 84 02 00 00 00 00 00 00 
Object dump complete.
16:24:09 (89592): wrapper (7.9.26016): starting
16:24:09 (89592): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x00000232FE8ACD20, 8 bytes long.
 Data: <    2   > 00 00 C1 FE 32 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000232FE89C340, 1080 bytes long.
 Data: <,               > 2C 96 01 00 CD CD CD CD 84 02 00 00 00 00 00 00 
Object dump complete.
17:31:51 (99288): wrapper (7.9.26016): starting
17:31:51 (99288): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x000002476C8D0140, 8 bytes long.
 Data: <   lG   > 00 00 D6 6C 47 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002476C8CE660, 1080 bytes long.
 Data: <                > FC 82 01 00 CD CD CD CD 88 02 00 00 00 00 00 00 
Object dump complete.
18:35:56 (17620): wrapper (7.9.26016): starting
18:35:56 (17620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x00000266B879CCD0, 8 bytes long.
 Data: <    f   > 00 00 CE B8 66 02 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000266B8792A90, 1080 bytes long.
 Data: <                > C4 82 01 00 CD CD CD CD 8C 02 00 00 00 00 00 00 
Object dump complete.
22:50:20 (96024): wrapper (7.9.26016): starting
22:50:20 (96024): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1465} normal block at 0x000001CE4BB02190, 8 bytes long.
 Data: <   K    > 00 00 E3 4B CE 01 00 00 
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001CE4BB017B0, 1080 bytes long.
 Data: <                > 18 AB 01 00 CD CD CD CD 8C 02 00 00 00 00 00 00 
Object dump complete.
00:24:44 (104412): wrapper (7.9.26016): starting
00:24:44 (104412): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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
02:59:01 (104412): C:/Windows/system32/cmd.exe exited; CPU time 8409.156250
02:59:01 (104412): 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: 163725640 bytes.
Dumping objects ->
{1553} normal block at 0x000001EE83EFF570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1542} normal block at 0x000001EE83EFFB20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1531} normal block at 0x000001EE83EFEF50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1520} normal block at 0x000001EE83EEADC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1509} normal block at 0x000001EE83EEA9D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1478} normal block at 0x000001EE83ECD930, 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) : {1465} normal block at 0x000001EE83EF2CB0, 8 bytes long.
 Data: <  0     > 00 00 30 84 EE 01 00 00 
{306} normal block at 0x000001EE83EF29E0, 8 bytes long.
 Data: <        > 90 DA EF 83 EE 01 00 00 
{297} normal block at 0x000001EE83ED7CF0, 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 0x000001EE83EF1EA0, 16 bytes long.
 Data: <                > 98 D9 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EE83EF22B0, 16 bytes long.
 Data: <p               > 70 D9 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EE83EFCBC0, 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 0x000001EE83EF2760, 16 bytes long.
 Data: <H               > 48 D9 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EE83EF1DB0, 16 bytes long.
 Data: <                > 20 D9 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EE83EF2710, 16 bytes long.
 Data: <                > F8 D8 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EE83EF1F90, 16 bytes long.
 Data: <                > D0 D8 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE83EEA960, 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 0x000001EE83EF2350, 16 bytes long.
 Data: < .              > 88 2E EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EE83EFCC80, 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 0x000001EE83EF2C10, 16 bytes long.
 Data: <`.              > 60 2E EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EE83EF2D00, 16 bytes long.
 Data: <8.              > 38 2E EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EE83EF2260, 16 bytes long.
 Data: < .              > 10 2E EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EE83EF1F40, 16 bytes long.
 Data: < -              > E8 2D EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EE83EF24E0, 16 bytes long.
 Data: < -              > C0 2D EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EE83EF2BC0, 16 bytes long.
 Data: < -              > 98 2D EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE83EFC620, 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 0x000001EE83EF2B70, 16 bytes long.
 Data: <p-              > 70 2D EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EE83EF2D70, 320 bytes long.
 Data: <p+              > 70 2B EF 83 EE 01 00 00 20 C6 EF 83 EE 01 00 00 
{276} normal block at 0x000001EE83EF25D0, 16 bytes long.
 Data: <                > B0 D8 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EE83EF2620, 16 bytes long.
 Data: <                > 88 D8 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE83EFC980, 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 0x000001EE83EF2C60, 16 bytes long.
 Data: <`               > 60 D8 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EE83EFD1C0, 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 0x000001EE83EF2B20, 16 bytes long.
 Data: <                > A8 D7 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EE83EF2990, 16 bytes long.
 Data: <                > 80 D7 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE83EF1E50, 16 bytes long.
 Data: <X               > 58 D7 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EE83EF2AD0, 16 bytes long.
 Data: <0               > 30 D7 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE83EF27B0, 16 bytes long.
 Data: <                > 08 D7 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EE83EF28A0, 16 bytes long.
 Data: <                > E0 D6 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EE83EF2210, 16 bytes long.
 Data: <`               > 60 B0 EE 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EE83EEB060, 40 bytes long.
 Data: < "      0       > 10 22 EF 83 EE 01 00 00 30 D9 EC 83 EE 01 00 00 
{262} normal block at 0x000001EE83EF2670, 16 bytes long.
 Data: <                > C0 D6 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EE83EF2A80, 16 bytes long.
 Data: <                > 98 D6 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EE83EFCEC0, 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 0x000001EE83EF28F0, 16 bytes long.
 Data: <p               > 70 D6 EF 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EE83EFD670, 992 bytes long.
 Data: < (              > F0 28 EF 83 EE 01 00 00 C0 CE EF 83 EE 01 00 00 
{94} normal block at 0x000001EE83EE1610, 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 0x000001EE83EE52C0, 16 bytes long.
 Data: <                > 80 AF EE 83 EE 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001EE83EEAF80, 40 bytes long.
 Data: < R              > C0 52 EE 83 EE 01 00 00 10 16 EE 83 EE 01 00 00 
{71} normal block at 0x000001EE83EE5180, 16 bytes long.
 Data: <                > 80 EA A7 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EE83EE50E0, 16 bytes long.
 Data: <@               > 40 E9 A7 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EE83EE5090, 16 bytes long.
 Data: < W              > F8 57 A4 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EE83EE4F50, 16 bytes long.
 Data: < W              > D8 57 A4 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EE83EE4EB0, 16 bytes long.
 Data: <P               > 50 04 A4 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EE83EE4D70, 16 bytes long.
 Data: <0               > 30 04 A4 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EE83EE4BE0, 16 bytes long.
 Data: <                > E0 02 A4 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EE83EE5220, 16 bytes long.
 Data: <                > 10 04 A4 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EE83EE4B40, 16 bytes long.
 Data: <p               > 70 04 A4 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EE83EE4AF0, 16 bytes long.
 Data: <                > 18 C0 A2 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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