Task 38582213
| Name | PFKFB3_A18_A26_r0_5-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND8016_0 |
| Workunit | 31546558 |
| Created | 12 Dec 2025, 23:26:53 UTC |
| Sent | 12 Dec 2025, 23:26:58 UTC |
| Report deadline | 17 Dec 2025, 23:26:58 UTC |
| Received | 17 Dec 2025, 18:11:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639235 |
| Run time | 14 hours 33 min 34 sec |
| CPU time | 14 hours 33 min 34 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 6,813.80 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 734.83 MB |
| Peak swap size | 6.94 GB |
| Peak disk usage | 3.69 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:31:04 (3112): wrapper (7.9.26016): starting
18:31:04 (3112): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A26_0.pdb
QB_A18_A26_0.xml
QB_A18_A26_equil.pdb
QB_A18_A26.inpcrd
QB_A18_A26_input.yaml
QB_A18_A26_mdlambda.pdb
QB_A18_A26_min.pdb
QB_A18_A26_npt.pdb
QB_A18_A26.pdb
QB_A18_A26.prmtop
QB_A18_A26_sys.xml
QB_A18_A26_therm.pdb
run.bat
run.sh
18:31:14 (3112): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:31:14 (3112): 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
Using cached 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)
Using cached 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-f0q52zlq\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-f0q52zlq\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-f0q52zlq\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-qqvi9xh1\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qqvi9xh1\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qqvi9xh1\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qqvi9xh1\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qqvi9xh1\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qqvi9xh1\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qqvi9xh1\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-qqvi9xh1\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-qqvi9xh1\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-qqvi9xh1\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\0\pip-build-env-f0q52zlq\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-x0ni1q88\.tmp-c7bsnyo_\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) : {3835096} normal block at 0x0000021C2001D710, 8 bytes long.
Data: < J > 00 00 4A 20 1C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000021C2000D540, 1080 bytes long.
Data: < * > C0 2A 00 00 CD CD CD CD A8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021C20011F40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:56:27 (10568): wrapper (7.9.26016): starting
18:56:27 (10568): 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) : {1443} normal block at 0x000001FD86BE56B0, 8 bytes long.
Data: < > 00 00 F8 86 FD 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001FD86BE6680, 1080 bytes long.
Data: < ) > F0 29 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
19:48:47 (6568): wrapper (7.9.26016): starting
19:48:47 (6568): 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) : {1443} normal block at 0x000001FA37C25460, 8 bytes long.
Data: < 8 > 00 00 0D 38 FA 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001FA37C263E0, 1080 bytes long.
Data: <,> > 2C 3E 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
20:10:44 (9588): wrapper (7.9.26016): starting
20:10:44 (9588): 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) : {1443} normal block at 0x000001E38B1053A0, 8 bytes long.
Data: < > 00 00 0B 8B E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001E38B106690, 1080 bytes long.
Data: <l, > 6C 2C 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
20:54:12 (5352): wrapper (7.9.26016): starting
20:54:12 (5352): 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) : {1443} normal block at 0x0000024B1A8354D0, 8 bytes long.
Data: < K > 00 00 D0 1A 4B 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000024B1A8363B0, 1080 bytes long.
Data: < > AC 0C 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
21:02:46 (13652): wrapper (7.9.26016): starting
21:02:46 (13652): 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) : {1443} normal block at 0x000001F4F0526060, 8 bytes long.
Data: < > 00 00 A3 F0 F4 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001F4F0526680, 1080 bytes long.
Data: < ? > 20 3F 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
21:08:09 (4460): wrapper (7.9.26016): starting
21:08:09 (4460): 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) : {1443} normal block at 0x000001AA4E955D30, 8 bytes long.
Data: < N > 00 00 D7 4E AA 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001AA4E956620, 1080 bytes long.
Data: <| > 7C 0B 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
21:38:56 (12848): wrapper (7.9.26016): starting
21:38:56 (12848): 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) : {1443} normal block at 0x00000219A4D65F30, 8 bytes long.
Data: < > 00 00 CE A4 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000219A4D66690, 1080 bytes long.
Data: < 9 > 88 39 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
08:24:12 (10184): wrapper (7.9.26016): starting
08:24:12 (10184): 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) : {1443} normal block at 0x0000027B29245F20, 8 bytes long.
Data: < o){ > 00 00 6F 29 7B 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000027B29246680, 1080 bytes long.
Data: <D? > 44 3F 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
08:31:53 (14128): wrapper (7.9.26016): starting
08:31:53 (14128): 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) : {1443} normal block at 0x0000024B153760F0, 8 bytes long.
Data: < K > 00 00 80 15 4B 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000024B15376620, 1080 bytes long.
Data: <T* > 54 2A 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
08:39:54 (14264): wrapper (7.9.26016): starting
08:39:54 (14264): 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) : {1443} normal block at 0x000001F9A2AD5880, 8 bytes long.
Data: < > 00 00 F1 A2 F9 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001F9A2AD6620, 1080 bytes long.
Data: < > E4 14 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
08:49:26 (17932): wrapper (7.9.26016): starting
08:49:26 (17932): 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) : {1443} normal block at 0x0000019446A95D10, 8 bytes long.
Data: < JH > 00 00 4A 48 94 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000019446A962E0, 1080 bytes long.
Data: <DB > 44 42 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
08:58:46 (15116): wrapper (7.9.26016): starting
08:58:46 (15116): 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) : {1443} normal block at 0x000001FB88AC59D0, 8 bytes long.
Data: < > 00 00 F5 88 FB 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001FB88AC6680, 1080 bytes long.
Data: < > 14 1E 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:22:45 (17332): wrapper (7.9.26016): starting
10:22:45 (17332): 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) : {1443} normal block at 0x0000022AE1DC5E90, 8 bytes long.
Data: < * > 00 00 D8 E1 2A 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000022AE1DC6690, 1080 bytes long.
Data: < > B0 01 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
11:18:33 (17460): wrapper (7.9.26016): starting
11:18:33 (17460): 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) : {1443} normal block at 0x000001FFD35B53E0, 8 bytes long.
Data: < > 00 00 A8 D3 FF 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001FFD35B6680, 1080 bytes long.
Data: <X1 > 58 31 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
11:31:45 (18384): wrapper (7.9.26016): starting
11:31:45 (18384): 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) : {1443} normal block at 0x000001934EB861A0, 8 bytes long.
Data: < N > 00 00 FE 4E 93 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001934EB86680, 1080 bytes long.
Data: < $ > DC 24 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
11:43:58 (16356): wrapper (7.9.26016): starting
11:43:58 (16356): 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) : {1443} normal block at 0x0000016BB4A05580, 8 bytes long.
Data: < k > 00 00 EB B4 6B 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000016BB4A06690, 1080 bytes long.
Data: < E > D8 45 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
11:58:54 (4204): wrapper (7.9.26016): starting
11:58:54 (4204): 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) : {1443} normal block at 0x0000015031A95E40, 8 bytes long.
Data: < 1P > 00 00 EA 31 50 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000015031A96690, 1080 bytes long.
Data: < % > 0C 25 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
07:43:33 (16684): wrapper (7.9.26016): starting
07:43:33 (16684): 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) : {1443} normal block at 0x0000028A42F09920, 8 bytes long.
Data: < B > 00 00 ED 42 8A 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000028A42F0AA80, 1080 bytes long.
Data: <lB > 6C 42 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
08:15:56 (12188): wrapper (7.9.26016): starting
08:15:56 (12188): 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) : {1443} normal block at 0x000001DC5DAF6160, 8 bytes long.
Data: < ] > 00 00 A9 5D DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001DC5DAF6690, 1080 bytes long.
Data: <T > 54 12 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
08:31:23 (9812): wrapper (7.9.26016): starting
08:31:23 (9812): 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) : {1443} normal block at 0x00000253B10F51E0, 8 bytes long.
Data: < V S > 00 00 56 B1 53 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000253B10F6160, 1080 bytes long.
Data: < > 04 09 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
08:58:37 (14160): wrapper (7.9.26016): starting
08:58:37 (14160): 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) : {1443} normal block at 0x000001D86C0059D0, 8 bytes long.
Data: < m > 00 00 94 6D D8 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001D86C006680, 1080 bytes long.
Data: < . > 04 2E 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:09:43 (9344): wrapper (7.9.26016): starting
09:09:43 (9344): 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) : {1443} normal block at 0x000001A166D56880, 8 bytes long.
Data: < #g > 00 00 23 67 A1 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001A166D57440, 1080 bytes long.
Data: < > B0 1E 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
09:15:54 (12968): wrapper (7.9.26016): starting
09:15:54 (12968): 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) : {1443} normal block at 0x00000215B8AA55C0, 8 bytes long.
Data: < W > 00 00 57 BA 15 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000215B8AA6680, 1080 bytes long.
Data: < > 20 17 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:31:46 (7084): wrapper (7.9.26016): starting
09:31:46 (7084): 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) : {1443} normal block at 0x00000190438C5480, 8 bytes long.
Data: < C > 00 00 BF 43 90 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000190438C6680, 1080 bytes long.
Data: < # > B4 23 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
09:42:12 (10432): wrapper (7.9.26016): starting
09:42:12 (10432): 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
13:10:01 (10432): C:/Windows/system32/cmd.exe exited; CPU time 12373.687500
13:10:01 (10432): 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: 153287988 bytes.
Dumping objects ->
{1531} normal block at 0x0000023189F44A80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x0000023189F44E00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1509} normal block at 0x0000023189F44930, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1498} normal block at 0x0000023189F44D90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1487} normal block at 0x0000023189F449A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1456} normal block at 0x0000023189F305C0, 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) : {1443} normal block at 0x0000023189F45D20, 8 bytes long.
Data: < B 1 > 00 00 42 8A 31 02 00 00
{304} normal block at 0x0000023189F45870, 8 bytes long.
Data: <@h 1 > 40 68 F4 89 31 02 00 00
{295} normal block at 0x0000023189F31990, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000023189F45CD0, 16 bytes long.
Data: <Hg 1 > 48 67 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023189F45C30, 16 bytes long.
Data: < g 1 > 20 67 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023189F40FF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000023189F45550, 16 bytes long.
Data: < f 1 > F8 66 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023189F45EB0, 16 bytes long.
Data: < f 1 > D0 66 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023189F46180, 16 bytes long.
Data: < f 1 > A8 66 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023189F462C0, 16 bytes long.
Data: < f 1 > 80 66 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023189F448C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000023189F457D0, 16 bytes long.
Data: < 1 > F8 B2 F2 89 31 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023189F40B10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000023189F46270, 16 bytes long.
Data: < 1 > D0 B2 F2 89 31 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023189F45BE0, 16 bytes long.
Data: < 1 > A8 B2 F2 89 31 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023189F45820, 16 bytes long.
Data: < 1 > 80 B2 F2 89 31 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023189F45960, 16 bytes long.
Data: <X 1 > 58 B2 F2 89 31 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023189F45B40, 16 bytes long.
Data: <0 1 > 30 B2 F2 89 31 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023189F46130, 16 bytes long.
Data: < 1 > 08 B2 F2 89 31 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023189F414D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000023189F463B0, 16 bytes long.
Data: < 1 > E0 B1 F2 89 31 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023189F2B1E0, 320 bytes long.
Data: < c 1 1 > B0 63 F4 89 31 02 00 00 D0 14 F4 89 31 02 00 00
{274} normal block at 0x0000023189F45FF0, 16 bytes long.
Data: <`f 1 > 60 66 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023189F459B0, 16 bytes long.
Data: <8f 1 > 38 66 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023189F41350, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000023189F45780, 16 bytes long.
Data: < f 1 > 10 66 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023189F40A50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000023189F454B0, 16 bytes long.
Data: <Xe 1 > 58 65 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023189F46360, 16 bytes long.
Data: <0e 1 > 30 65 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023189F45E60, 16 bytes long.
Data: < e 1 > 08 65 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023189F45C80, 16 bytes long.
Data: < d 1 > E0 64 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023189F46220, 16 bytes long.
Data: < d 1 > B8 64 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023189F461D0, 16 bytes long.
Data: < d 1 > 90 64 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023189F45910, 16 bytes long.
Data: <PH 1 > 50 48 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023189F44850, 40 bytes long.
Data: < Y 1 1 > 10 59 F4 89 31 02 00 00 C0 05 F3 89 31 02 00 00
{260} normal block at 0x0000023189F45AA0, 16 bytes long.
Data: <pd 1 > 70 64 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023189F45460, 16 bytes long.
Data: <Hd 1 > 48 64 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023189F40930, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000023189F46090, 16 bytes long.
Data: < d 1 > 20 64 F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023189F46420, 992 bytes long.
Data: < ` 1 0 1 > 90 60 F4 89 31 02 00 00 30 09 F4 89 31 02 00 00
{92} normal block at 0x0000023189F40E70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000023189F3D580, 16 bytes long.
Data: < J 1 > 10 4A F4 89 31 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000023189F44A10, 40 bytes long.
Data: < 1 p 1 > 80 D5 F3 89 31 02 00 00 70 0E F4 89 31 02 00 00
{69} normal block at 0x0000023189F3DE90, 16 bytes long.
Data: < > 80 EA AB B5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023189F3D0D0, 16 bytes long.
Data: <@ > 40 E9 AB B5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023189F3D350, 16 bytes long.
Data: < W > F8 57 A8 B5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023189F3D120, 16 bytes long.
Data: < W > D8 57 A8 B5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023189F3DE40, 16 bytes long.
Data: <P > 50 04 A8 B5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023189F3DBC0, 16 bytes long.
Data: <0 > 30 04 A8 B5 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023189F3D760, 16 bytes long.
Data: < > E0 02 A8 B5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023189F3D3A0, 16 bytes long.
Data: < > 10 04 A8 B5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023189F3D440, 16 bytes long.
Data: <p > 70 04 A8 B5 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023189F3D6C0, 16 bytes long.
Data: < > 18 C0 A6 B5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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