Task 38582804
| Name | PFKFB3_A17_A37_r0_2-QUICO_ATM_GAFF2_LOMAP_PFKFB3-2-5-RND7066_0 |
| Workunit | 31547049 |
| Created | 13 Dec 2025, 12:13:58 UTC |
| Sent | 13 Dec 2025, 12:14:01 UTC |
| Report deadline | 18 Dec 2025, 12:14:01 UTC |
| Received | 17 Dec 2025, 19:05:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639108 |
| Run time | 5 hours 35 min 12 sec |
| CPU time | 5 hours 24 min 29 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 22,593.29 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 738.28 MB |
| Peak swap size | 5.48 GB |
| Peak disk usage | 4.80 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:33:06 (24320): wrapper (7.9.26016): starting
14:33:06 (24320): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A17_A37_0.pdb
QB_A17_A37_0.xml
QB_A17_A37_equil.pdb
QB_A17_A37.inpcrd
QB_A17_A37_input.yaml
QB_A17_A37_mdlambda.pdb
QB_A17_A37_min.pdb
QB_A17_A37_npt.pdb
QB_A17_A37.pdb
QB_A17_A37.prmtop
QB_A17_A37_sys.xml
QB_A17_A37_therm.pdb
run.bat
run.sh
14:33:07 (24320): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:33:07 (24320): 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\9\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\9\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\9\pip-build-env-ncs5u9xv\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\9\pip-build-env-ncs5u9xv\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\9\pip-build-env-ncs5u9xv\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\9\pip-modern-metadata-6_n1i586\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\9\pip-modern-metadata-6_n1i586\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\9\pip-modern-metadata-6_n1i586\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\9\pip-modern-metadata-6_n1i586\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\9\pip-modern-metadata-6_n1i586\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\9\pip-modern-metadata-6_n1i586\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\9\pip-modern-metadata-6_n1i586\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\9\pip-modern-metadata-6_n1i586\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\9\pip-modern-metadata-6_n1i586\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\9\pip-modern-metadata-6_n1i586\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\9\pip-build-env-ncs5u9xv\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\9\pip-wheel-4elpo7y2\.tmp-wba_kqbw\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\9\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) : {3835196} normal block at 0x0000023815C3D4C0, 8 bytes long.
Data: < 8 > 00 00 BA 15 38 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000023815C2D5D0, 1080 bytes long.
Data: < H > 14 48 00 00 CD CD CD CD D0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023815C30880, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:39:43 (18744): wrapper (7.9.26016): starting
14:39:43 (18744): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x00000293CD4FDAB0, 8 bytes long.
Data: < > 00 00 9E CD 93 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x00000293CD4ED5D0, 1080 bytes long.
Data: < 0 > BC 18 00 00 CD CD CD CD 30 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000293CD4F1140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:46:41 (13180): wrapper (7.9.26016): starting
14:46:41 (13180): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x000001909F90D170, 8 bytes long.
Data: < > 00 00 DC 9F 90 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x000001909F8FD5D0, 1080 bytes long.
Data: <pE > 70 45 00 00 CD CD CD CD 14 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001909F902070, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:21:41 (13996): wrapper (7.9.26016): starting
16:21:41 (13996): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x000002401656DE80, 8 bytes long.
Data: < @ > 00 00 8F 16 40 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x000002401655D5A0, 1080 bytes long.
Data: < : > E4 3A 00 00 CD CD CD CD F0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024016560D20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:28:16 (1296): wrapper (7.9.26016): starting
16:28:16 (1296): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x000001D436CBD0B0, 8 bytes long.
Data: < 7 > 00 00 19 37 D4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x000001D436CAD5D0, 1080 bytes long.
Data: < > D4 17 00 00 CD CD CD CD E8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D436CB1000, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:39:44 (4852): wrapper (7.9.26016): starting
16:39:44 (4852): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x00000236768AD070, 8 bytes long.
Data: < v6 > 00 00 C0 76 36 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x000002367689D5D0, 1080 bytes long.
Data: <(5 > 28 35 00 00 CD CD CD CD B0 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000236768A1E80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:45:05 (9160): wrapper (7.9.26016): starting
16:45:05 (9160): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x000002209C80D880, 8 bytes long.
Data: < > 00 00 B8 9C 20 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x000002209C7FD5D0, 1080 bytes long.
Data: < C l > E0 43 00 00 CD CD CD CD 6C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002209C8009C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:07:48 (13236): wrapper (7.9.26016): starting
18:07:48 (13236): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x00000214CB46DE70, 8 bytes long.
Data: < > 00 00 83 CB 14 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x00000214CB45D5D0, 1080 bytes long.
Data: < _ > D8 5F 00 00 CD CD CD CD F8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000214CB460C40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:40:39 (25128): wrapper (7.9.26016): starting
17:40:39 (25128): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x000002B27A16DBC0, 8 bytes long.
Data: < {z > 00 00 7B 7A B2 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x000002B27A15D5E0, 1080 bytes long.
Data: < @ P > E4 40 00 00 CD CD CD CD 50 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002B27A1609D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:25:43 (21060): wrapper (7.9.26016): starting
22:25:43 (21060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x00000237CA90CE60, 8 bytes long.
Data: < 7 > 00 00 C0 CA 37 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x00000237CC4BD8F0, 1080 bytes long.
Data: <P- > 50 2D 00 00 CD CD CD CD F8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000237CA901AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:30:39 (7480): wrapper (7.9.26016): starting
22:30:39 (7480): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x00000165A219F660, 8 bytes long.
Data: < e > 00 00 15 A2 65 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x00000165A3F08870, 1080 bytes long.
Data: < : > C8 3A 00 00 CD CD CD CD A0 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000165A2192B40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:40:24 (13640): wrapper (7.9.26016): starting
17:40:24 (13640): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x00000257BD14D3E0, 8 bytes long.
Data: < _ W > 00 00 5F BD 57 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x00000257BD13D5D0, 1080 bytes long.
Data: <$[ > 24 5B 00 00 CD CD CD CD 9C 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000257BD140B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:56:17 (12524): wrapper (7.9.26016): starting
17:56:17 (12524): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x0000023A05CAD0B0, 8 bytes long.
Data: < : > 00 00 F9 05 3A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x0000023A05C9D5D0, 1080 bytes long.
Data: <d( > 64 28 00 00 CD CD CD CD CC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023A05CA1280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:29:28 (18036): wrapper (7.9.26016): starting
18:29:28 (18036): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x000001715703D880, 8 bytes long.
Data: < HWq > 00 00 48 57 71 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x000001715702D5A0, 1080 bytes long.
Data: < T > BC 54 00 00 CD CD CD CD 10 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000017157030740, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:38:36 (4752): wrapper (7.9.26016): starting
19:38:36 (4752): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x00000219E5BFD890, 8 bytes long.
Data: < z > 00 00 7A E7 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x00000219E5BED5D0, 1080 bytes long.
Data: < 8 > D8 38 00 00 CD CD CD CD B4 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000219E5BF1390, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:33:34 (17676): wrapper (7.9.26016): starting
20:33:34 (17676): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x000001C3F5D4DC40, 8 bytes long.
Data: < > 00 00 1E F6 C3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x000001C3F5D3D5D0, 1080 bytes long.
Data: < > E4 1E 00 00 CD CD CD CD A8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C3F5D40B00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:37:27 (17892): wrapper (7.9.26016): starting
20:37:27 (17892): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849879} normal block at 0x0000023EDE70DAC0, 8 bytes long.
Data: < h > > 00 00 68 DE 3E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848641} normal block at 0x0000023EE0396E40, 1080 bytes long.
Data: <` > 60 0F 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023EDE7016F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:43:45 (26064): wrapper (7.9.26016): starting
20:43:45 (26064): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
21:36:55 (26064): C:/Windows/system32/cmd.exe exited; CPU time 3036.171875
21:36:55 (26064): 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: 51271838 bytes.
Dumping objects ->
{3849967} normal block at 0x000001EFADA3D4D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849956} normal block at 0x000001EFADA3D230, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849945} normal block at 0x000001EFABEB4A90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849934} normal block at 0x000001EFABEB49B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849923} normal block at 0x000001EFABEB4940, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849892} normal block at 0x000001EFADA85FC0, 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) : {3849879} normal block at 0x000001EFABEAD240, 8 bytes long.
Data: < • > 00 00 1E AC EF 01 00 00
{3848642} normal block at 0x000001EFABEADC90, 8 bytes long.
Data: <pë“­ï > 70 EB 93 AD EF 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001EFABEA09C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001EFABEA2560, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001EFABEB5E70, 16 bytes long.
Data: <Xgë«ï > 58 67 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EFABEB59C0, 16 bytes long.
Data: <0gë«ï > 30 67 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EFABEB1660, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001EFABEB61E0, 16 bytes long.
Data: < gë«ï > 08 67 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EFABEB5880, 16 bytes long.
Data: <àfë«ï > E0 66 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EFABEB5600, 16 bytes long.
Data: <¸fë«ï > B8 66 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EFABEB5E20, 16 bytes long.
Data: < fë«ï > 90 66 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EFABEB4D30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001EFABEB5BA0, 16 bytes long.
Data: < ê«ï > 08 06 EA AB EF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EFABEB15A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001EFABEB60F0, 16 bytes long.
Data: <à ê«ï > E0 05 EA AB EF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EFABEB5AB0, 16 bytes long.
Data: <¸ ê«ï > B8 05 EA AB EF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EFABEB6000, 16 bytes long.
Data: < ê«ï > 90 05 EA AB EF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EFABEB5B00, 16 bytes long.
Data: <h ê«ï > 68 05 EA AB EF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EFABEB55B0, 16 bytes long.
Data: <@ ê«ï > 40 05 EA AB EF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EFABEB5D30, 16 bytes long.
Data: < ê«ï > 18 05 EA AB EF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EFABEB12A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001EFABEB5740, 16 bytes long.
Data: <ð ê«ï > F0 04 EA AB EF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EFABEA04F0, 320 bytes long.
Data: <@Wë«ï   ë«ï > 40 57 EB AB EF 01 00 00 A0 12 EB AB EF 01 00 00
{275} normal block at 0x000001EFABEB56F0, 16 bytes long.
Data: <pfë«ï > 70 66 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EFABEB5A60, 16 bytes long.
Data: <Hfë«ï > 48 66 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EFABEB14E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001EFABEB5830, 16 bytes long.
Data: < fë«ï > 20 66 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EFABEB1360, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001EFABEB5470, 16 bytes long.
Data: <heë«ï > 68 65 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EFABEB56A0, 16 bytes long.
Data: <@eë«ï > 40 65 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EFABEB6320, 16 bytes long.
Data: < eë«ï > 18 65 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EFABEB6280, 16 bytes long.
Data: <ðdë«ï > F0 64 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EFABEB5D80, 16 bytes long.
Data: <Èdë«ï > C8 64 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EFABEB5EC0, 16 bytes long.
Data: < dë«ï > A0 64 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EFABEB5650, 16 bytes long.
Data: <PLë«ï > 50 4C EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EFABEB4C50, 40 bytes long.
Data: <PVë«ï À_¨­ï > 50 56 EB AB EF 01 00 00 C0 5F A8 AD EF 01 00 00
{261} normal block at 0x000001EFABEB5FB0, 16 bytes long.
Data: < dë«ï > 80 64 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EFABEB5DD0, 16 bytes long.
Data: <Xdë«ï > 58 64 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EFABEB0FA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001EFABEB54C0, 16 bytes long.
Data: <0dë«ï > 30 64 EB AB EF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001EFABEB6430, 992 bytes long.
Data: <ÀTë«ï   ë«ï > C0 54 EB AB EF 01 00 00 A0 0F EB AB EF 01 00 00
{93} normal block at 0x000001EFABEB13C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001EFABEAD6A0, 16 bytes long.
Data: < Ñé«ï > A0 D1 E9 AB EF 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001EFABE9D1A0, 40 bytes long.
Data: < Öê«ï À ë«ï > A0 D6 EA AB EF 01 00 00 C0 13 EB AB EF 01 00 00
{70} normal block at 0x000001EFABEAD8D0, 16 bytes long.
Data: < ê=qö > 80 EA 3D 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EFABEADBF0, 16 bytes long.
Data: <@é=qö > 40 E9 3D 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EFABEAD6F0, 16 bytes long.
Data: <øW:qö > F8 57 3A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EFABEADCE0, 16 bytes long.
Data: <ØW:qö > D8 57 3A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EFABEADC40, 16 bytes long.
Data: <P :qö > 50 04 3A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EFABEADB50, 16 bytes long.
Data: <0 :qö > 30 04 3A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EFABEAD600, 16 bytes long.
Data: <à :qö > E0 02 3A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EFABEADB00, 16 bytes long.
Data: < :qö > 10 04 3A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EFABEAD650, 16 bytes long.
Data: <p :qö > 70 04 3A 71 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EFABEAD100, 16 bytes long.
Data: < À8qö > 18 C0 38 71 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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