Task 38582050
| Name | PFKFB3_A18_A36_r0_4-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND9446_0 |
| Workunit | 31546421 |
| Created | 12 Dec 2025, 19:50:40 UTC |
| Sent | 12 Dec 2025, 19:50:45 UTC |
| Report deadline | 17 Dec 2025, 19:50:45 UTC |
| Received | 17 Dec 2025, 16:18:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647016 |
| Run time | 4 hours 29 min 7 sec |
| CPU time | 4 hours 29 min 7 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 58,715.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 832.45 MB |
| Peak swap size | 19.22 GB |
| Peak disk usage | 4.10 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:13:21 (32468): wrapper (7.9.26016): starting
12:13:21 (32468): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A36_0.pdb
QB_A18_A36_0.xml
QB_A18_A36_equil.pdb
QB_A18_A36.inpcrd
QB_A18_A36_input.yaml
QB_A18_A36_mdlambda.pdb
QB_A18_A36_min.pdb
QB_A18_A36_npt.pdb
QB_A18_A36.pdb
QB_A18_A36.prmtop
QB_A18_A36_sys.xml
QB_A18_A36_therm.pdb
run.bat
run.sh
12:13:22 (32468): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:13:22 (32468): 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\13\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\13\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
Downloading 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)
Downloading setuptools-80.9.0-py3-none-any.whl (1.2 MB)
---------------------------------------- 1.2/1.2 MB 30.3 MB/s eta 0:00:00
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\13\pip-build-env-pohvacjx\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\13\pip-build-env-pohvacjx\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\13\pip-build-env-pohvacjx\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\13\pip-modern-metadata-escplens\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\13\pip-modern-metadata-escplens\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\13\pip-modern-metadata-escplens\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\13\pip-modern-metadata-escplens\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\13\pip-modern-metadata-escplens\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\13\pip-modern-metadata-escplens\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\13\pip-modern-metadata-escplens\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\13\pip-modern-metadata-escplens\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\13\pip-modern-metadata-escplens\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\13\pip-modern-metadata-escplens\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\13\pip-build-env-pohvacjx\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\13\pip-wheel-4rhaofj8\.tmp-vwkjxrpk\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\13\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) : {3835238} normal block at 0x0000019AEE92EA00, 8 bytes long.
Data: < > 00 00 07 EF 9A 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833978} normal block at 0x0000019AF08F2AE0, 1080 bytes long.
Data: < { > AC 7B 00 00 CD CD CD CD 04 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x0000019AEE926D30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:26:40 (14272): wrapper (7.9.26016): starting
14:26:40 (14272): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x000002196E457EC0, 8 bytes long.
Data: < @n > 00 00 40 6E 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000002196E4592A0, 1080 bytes long.
Data: < > C0 0E 00 00 CD CD CD CD 9C 01 00 00 00 00 00 00
Object dump complete.
19:28:44 (17636): wrapper (7.9.26016): starting
19:28:44 (17636): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x00000226CB18A1D0, 8 bytes long.
Data: < u & > 00 00 75 CB 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x00000226CB18AF20, 1080 bytes long.
Data: <xD > 78 44 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
20:06:36 (12492): wrapper (7.9.26016): starting
20:06:36 (12492): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x0000015D5FC98230, 8 bytes long.
Data: < _] > 00 00 BF 5F 5D 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x0000015D5FC992A0, 1080 bytes long.
Data: < 7 \ > AC 37 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
Object dump complete.
05:10:08 (42668): wrapper (7.9.26016): starting
05:10:08 (42668): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x0000025D897F6E50, 8 bytes long.
Data: < ] > 00 00 BF 89 5D 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x0000025D897F7470, 1080 bytes long.
Data: < > C8 A9 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
10:11:30 (23944): wrapper (7.9.26016): starting
10:11:30 (23944): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x000001E8E4697070, 8 bytes long.
Data: < e > 00 00 65 E4 E8 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000001E8E46980E0, 1080 bytes long.
Data: <8' > 38 27 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
03:22:48 (8260): wrapper (7.9.26016): starting
03:22:48 (8260): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x000001944D556DC0, 8 bytes long.
Data: < M > 00 00 AC 4D 94 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000001944D557C00, 1080 bytes long.
Data: < > A8 EF 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
07:18:25 (27812): wrapper (7.9.26016): starting
07:18:25 (27812): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x00000223BAA26D60, 8 bytes long.
Data: < E # > 00 00 45 BC 23 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x00000223BAA27A10, 1080 bytes long.
Data: < > B8 CF 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:53:48 (57312): wrapper (7.9.26016): starting
10:53:48 (57312): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x000002375D557190, 8 bytes long.
Data: < ]7 > 00 00 B5 5D 37 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000002375D557850, 1080 bytes long.
Data: <T: > 54 3A 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
12:19:43 (58328): wrapper (7.9.26016): starting
12:19:43 (58328): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x00000256E15281E0, 8 bytes long.
Data: < V > 00 00 AB E1 56 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x00000256E15292A0, 1080 bytes long.
Data: < \ > 18 EF 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
Object dump complete.
12:45:58 (49872): wrapper (7.9.26016): starting
12:45:58 (49872): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x000001E6466D6970, 8 bytes long.
Data: < F > 00 00 B9 46 E6 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000001E6466D7A80, 1080 bytes long.
Data: < > 18 E0 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
16:01:08 (8344): wrapper (7.9.26016): starting
16:01:08 (8344): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x000002031B686E00, 8 bytes long.
Data: < > 00 00 CC 1B 03 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000002031B6882A0, 1080 bytes long.
Data: <8j > 38 6A 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:14:59 (1328): wrapper (7.9.26016): starting
18:14:59 (1328): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x0000027712787BE0, 8 bytes long.
Data: < w > 00 00 C1 12 77 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x00000277127884D0, 1080 bytes long.
Data: < > 80 C0 00 00 CD CD CD CD B0 00 00 00 00 00 00 00
Object dump complete.
19:38:39 (58064): wrapper (7.9.26016): starting
19:38:39 (58064): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x00000265FE7074B0, 8 bytes long.
Data: < h e > 00 00 68 FE 65 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x00000265FE707A80, 1080 bytes long.
Data: < > F4 E9 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:10:51 (62076): wrapper (7.9.26016): starting
20:10:51 (62076): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x0000020FAA4381D0, 8 bytes long.
Data: < > 00 00 A7 AA 0F 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x0000020FAA438930, 1080 bytes long.
Data: < C > 10 43 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
22:08:29 (52184): wrapper (7.9.26016): starting
22:08:29 (52184): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x0000021627FE65E0, 8 bytes long.
Data: < ' > 00 00 F8 27 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x0000021627FE7830, 1080 bytes long.
Data: < J > 80 4A 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
05:10:08 (40940): wrapper (7.9.26016): starting
05:10:08 (40940): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x0000026AE77368D0, 8 bytes long.
Data: < m j > 00 00 6D E7 6A 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x0000026AE7737850, 1080 bytes long.
Data: <d > 64 CB 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
08:27:14 (52244): wrapper (7.9.26016): starting
08:27:14 (52244): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1574} normal block at 0x000001B601FA6CC0, 8 bytes long.
Data: < > 00 00 F7 01 B6 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000001B601FA7A10, 1080 bytes long.
Data: < L > 14 4C 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
08:40:05 (58332): wrapper (7.9.26016): starting
08:40:05 (58332): 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\13\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
08:44:19 (58332): C:/Windows/system32/cmd.exe exited; CPU time 182.750000
08:44:19 (58332): 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: 5994581 bytes.
Dumping objects ->
{1662} normal block at 0x000002D3A69B5B20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1651} normal block at 0x000002D3A69B5AB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1640} normal block at 0x000002D3A69B59D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1629} normal block at 0x000002D3A69B5960, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1618} normal block at 0x000002D3A69B5A40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1587} normal block at 0x000002D3A69A1440, 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) : {1574} normal block at 0x000002D3A69B6140, 8 bytes long.
Data: < > 00 00 91 A6 D3 02 00 00
{315} normal block at 0x000002D3A69B65F0, 8 bytes long.
Data: < t > 80 74 9B A6 D3 02 00 00
{306} normal block at 0x000002D3A699EC90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{305} normal block at 0x000002D3A69B6C30, 16 bytes long.
Data: < s > 88 73 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002D3A69B60A0, 16 bytes long.
Data: <`s > 60 73 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002D3A69B0320, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{302} normal block at 0x000002D3A69B6230, 16 bytes long.
Data: <8s > 38 73 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002D3A69B60F0, 16 bytes long.
Data: < s > 10 73 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002D3A69B6D70, 16 bytes long.
Data: < r > E8 72 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002D3A69B6550, 16 bytes long.
Data: < r > C0 72 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002D3A69B58F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{297} normal block at 0x000002D3A69B6870, 16 bytes long.
Data: < > C8 08 9A A6 D3 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002D3A69B0260, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{295} normal block at 0x000002D3A69B61E0, 16 bytes long.
Data: < > A0 08 9A A6 D3 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D3A69B6280, 16 bytes long.
Data: <x > 78 08 9A A6 D3 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D3A69B6410, 16 bytes long.
Data: <P > 50 08 9A A6 D3 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002D3A69B6500, 16 bytes long.
Data: <( > 28 08 9A A6 D3 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D3A69B64B0, 16 bytes long.
Data: < > 00 08 9A A6 D3 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D3A69B6BE0, 16 bytes long.
Data: < > D8 07 9A A6 D3 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002D3A69B06E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{287} normal block at 0x000002D3A69B62D0, 16 bytes long.
Data: < > B0 07 9A A6 D3 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002D3A69A07B0, 320 bytes long.
Data: < b > D0 62 9B A6 D3 02 00 00 E0 06 9B A6 D3 02 00 00
{285} normal block at 0x000002D3A69B6F50, 16 bytes long.
Data: < r > A0 72 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D3A69B6FA0, 16 bytes long.
Data: <xr > 78 72 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002D3A69AFF00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{282} normal block at 0x000002D3A69B6AF0, 16 bytes long.
Data: <Pr > 50 72 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002D3A69B0140, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{280} normal block at 0x000002D3A69B6D20, 16 bytes long.
Data: < q > 98 71 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D3A69B6B90, 16 bytes long.
Data: <pq > 70 71 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002D3A69B65A0, 16 bytes long.
Data: <Hq > 48 71 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D3A69B6FF0, 16 bytes long.
Data: < q > 20 71 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002D3A69B6A00, 16 bytes long.
Data: < p > F8 70 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D3A69B6320, 16 bytes long.
Data: < p > D0 70 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D3A69B6E60, 16 bytes long.
Data: < X > 80 58 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D3A69B5880, 40 bytes long.
Data: <`n @ > 60 6E 9B A6 D3 02 00 00 40 14 9A A6 D3 02 00 00
{271} normal block at 0x000002D3A69B6CD0, 16 bytes long.
Data: < p > B0 70 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D3A69B6B40, 16 bytes long.
Data: < p > 88 70 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002D3A69AFCC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{268} normal block at 0x000002D3A69B6820, 16 bytes long.
Data: <`p > 60 70 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002D3A69B7060, 992 bytes long.
Data: < h > 20 68 9B A6 D3 02 00 00 C0 FC 9A A6 D3 02 00 00
{103} normal block at 0x000002D3A69B0020, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{102} normal block at 0x000002D3A69AD930, 16 bytes long.
Data: < X > 10 58 9B A6 D3 02 00 00 00 00 00 00 00 00 00 00
{101} normal block at 0x000002D3A69B5810, 40 bytes long.
Data: <0 > 30 D9 9A A6 D3 02 00 00 20 00 9B A6 D3 02 00 00
{80} normal block at 0x000002D3A69AE5B0, 16 bytes long.
Data: < > 80 EA 0F 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000002D3A69AE380, 16 bytes long.
Data: <@ > 40 E9 0F 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000002D3A69AE6A0, 16 bytes long.
Data: < W > F8 57 0C 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002D3A69AD980, 16 bytes long.
Data: < W > D8 57 0C 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002D3A69ADA70, 16 bytes long.
Data: <P > 50 04 0C 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002D3A69ADDE0, 16 bytes long.
Data: <0 > 30 04 0C 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002D3A69AE3D0, 16 bytes long.
Data: < > E0 02 0C 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002D3A69AE600, 16 bytes long.
Data: < > 10 04 0C 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002D3A69AE650, 16 bytes long.
Data: <p > 70 04 0C 98 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002D3A69AD8E0, 16 bytes long.
Data: < > 18 C0 0A 98 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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