Task 38581886
| Name | HIF2A_A33_A12_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND0519_0 |
| Workunit | 31546286 |
| Created | 12 Dec 2025, 16:56:28 UTC |
| Sent | 12 Dec 2025, 16:56:29 UTC |
| Report deadline | 17 Dec 2025, 16:56:29 UTC |
| Received | 17 Dec 2025, 17:14:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 570225 |
| Run time | 7 hours 27 min 10 sec |
| CPU time | 5 hours 22 min 42 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 4,613.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 464.65 MB |
| Peak swap size | 6.43 GB |
| Peak disk usage | 4.38 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:13:33 (51652): wrapper (7.9.26016): starting
18:13:33 (51652): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A33_A12_0.pdb
QB_A33_A12_0.xml
QB_A33_A12_equil.pdb
QB_A33_A12.inpcrd
QB_A33_A12_input.yaml
QB_A33_A12_mdlambda.pdb
QB_A33_A12_min.pdb
QB_A33_A12_npt.pdb
QB_A33_A12.pdb
QB_A33_A12.prmtop
QB_A33_A12_sys.xml
QB_A33_A12_therm.pdb
run.bat
run.sh
18:13:36 (51652): Library/usr/bin/tar.exe exited; CPU time 0.046875
18:13:36 (51652): 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 'D:\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 D:\BOINC\slots\0\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
Using cached setuptools-80.9.0-py3-none-any.whl.metadata (6.6 kB)
Collecting setuptools-scm>=8
Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/3d/ea/ac2bf868899d0d2e82ef72d350d97a846110c709bacf2d968431576ca915/setuptools_scm-9.2.2-py3-none-any.whl.metadata
Downloading setuptools_scm-9.2.2-py3-none-any.whl.metadata (7.7 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/20/12/38679034af332785aac8774540895e234f4d07f7545804097de4b666afd8/packaging-25.0-py3-none-any.whl.metadata
Using cached packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
Using cached setuptools-80.9.0-py3-none-any.whl (1.2 MB)
Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
Using cached packaging-25.0-py3-none-any.whl (66 kB)
Installing collected packages: setuptools, packaging, setuptools-scm
Creating D:\BOINC\slots\0\pip-build-env-0efp6bu9\overlay\Scripts
Successfully installed packaging-25.0 setuptools-80.9.0 setuptools-scm-9.2.2
Running command Getting requirements to build wheel
D:\BOINC\slots\0\pip-build-env-0efp6bu9\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)
D:\BOINC\slots\0\pip-build-env-0efp6bu9\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 D:\BOINC\slots\0\pip-modern-metadata-2kr6dlix\atom_openmm.egg-info
writing D:\BOINC\slots\0\pip-modern-metadata-2kr6dlix\atom_openmm.egg-info\PKG-INFO
writing dependency_links to D:\BOINC\slots\0\pip-modern-metadata-2kr6dlix\atom_openmm.egg-info\dependency_links.txt
writing entry points to D:\BOINC\slots\0\pip-modern-metadata-2kr6dlix\atom_openmm.egg-info\entry_points.txt
writing requirements to D:\BOINC\slots\0\pip-modern-metadata-2kr6dlix\atom_openmm.egg-info\requires.txt
writing top-level names to D:\BOINC\slots\0\pip-modern-metadata-2kr6dlix\atom_openmm.egg-info\top_level.txt
writing manifest file 'D:\BOINC\slots\0\pip-modern-metadata-2kr6dlix\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'D:\BOINC\slots\0\pip-modern-metadata-2kr6dlix\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'D:\BOINC\slots\0\pip-modern-metadata-2kr6dlix\atom_openmm.egg-info\SOURCES.txt'
creating 'D:\BOINC\slots\0\pip-modern-metadata-2kr6dlix\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
D:\BOINC\slots\0\pip-build-env-0efp6bu9\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 'D:\BOINC\slots\0\pip-wheel-nak108tz\.tmp-_vqchyhj\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 'D:\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) : {3835237} normal block at 0x0000021467C8B8D0, 8 bytes long.
Data: < g > 00 00 C2 67 14 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x00000214699E7190, 1080 bytes long.
Data: < 8 > 1C C7 00 00 CD CD CD CD 38 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021467C86A00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:27:20 (52136): wrapper (7.9.26016): starting
19:27:20 (52136): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
16:14:25 (57816): wrapper (7.9.26016): starting
16:14:26 (57816): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000001BB978CB7B0, 8 bytes long.
Data: < > 00 00 85 97 BB 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x000001BB979AEB60, 1080 bytes long.
Data: <p > 70 D0 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001BB978C1920, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:47:45 (10460): wrapper (7.9.26016): starting
16:47:45 (10460): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x0000024281BAAB30, 8 bytes long.
Data: < B > 00 00 FF 81 42 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x00000242838D4300, 1080 bytes long.
Data: < E > E0 45 00 00 CD CD CD CD 98 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000024281BA1420, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:17:38 (54020): wrapper (7.9.26016): starting
17:17:38 (54020): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000002B3F533B6A0, 8 bytes long.
Data: < > 00 00 EA F6 B3 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x000002B3F541E5F0, 1080 bytes long.
Data: < > A8 C4 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002B3F5347DB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:49:39 (42484): wrapper (7.9.26016): starting
17:49:39 (42484): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000001BBBB11AE00, 8 bytes long.
Data: < [ > 00 00 5B BB BB 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x000001BBBCE84300, 1080 bytes long.
Data: <D > 44 F7 00 00 CD CD CD CD 20 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001BBBB111A60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:21:33 (38260): wrapper (7.9.26016): starting
18:21:33 (38260): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x0000027850EFB5B0, 8 bytes long.
Data: < 6Qx > 00 00 36 51 78 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x0000027850EEDB30, 1080 bytes long.
Data: <XK > 58 4B 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000027850EF0EC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:51:47 (21564): wrapper (7.9.26016): starting
18:51:47 (21564): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000001AAF373A3B0, 8 bytes long.
Data: < > 00 00 B7 F3 AA 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x000001AAF54A6CA0, 1080 bytes long.
Data: < > 98 06 00 00 CD CD CD CD DC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001AAF37479D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:22:33 (6704): wrapper (7.9.26016): starting
19:22:33 (6704): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000002DC8424C980, 8 bytes long.
Data: < > 00 00 EB 85 DC 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x000002DC85DE87D0, 1080 bytes long.
Data: < L > D4 F8 00 00 CD CD CD CD 4C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002DC84243160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:53:10 (36736): wrapper (7.9.26016): starting
19:53:10 (36736): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000001550739B150, 8 bytes long.
Data: < U > 00 00 8D 07 55 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x000001550738DB30, 1080 bytes long.
Data: <P > 50 E8 00 00 CD CD CD CD E0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000155073913C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:31:57 (52408): wrapper (7.9.26016): starting
14:31:57 (52408): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000002DAF462B170, 8 bytes long.
Data: < > 00 00 B7 F4 DA 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x000002DAF6454300, 1080 bytes long.
Data: <l X > 6C 8B 00 00 CD CD CD CD 58 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002DAF4621560, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:04:16 (64256): wrapper (7.9.26016): starting
15:04:16 (64256): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x0000014FF77EB8A0, 8 bytes long.
Data: < O > 00 00 DF F7 4F 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x0000014FF9534300, 1080 bytes long.
Data: < F > B8 46 00 00 CD CD CD CD A0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000014FF77E18C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:19:46 (54000): wrapper (7.9.26016): starting
21:19:46 (54000): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000001F977C4B330, 8 bytes long.
Data: < w > 00 00 C1 77 F9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x000001F977C3DB30, 1080 bytes long.
Data: <T > 54 B8 00 00 CD CD CD CD 14 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001F977C41780, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:49:56 (38560): wrapper (7.9.26016): starting
21:49:56 (38560): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x00000211EC94B330, 8 bytes long.
Data: < C > 00 00 43 EE 11 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x00000211EC93DB30, 1080 bytes long.
Data: < P > C0 50 00 00 CD CD CD CD EC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000211EC941280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:26:00 (28716): wrapper (7.9.26016): starting
22:26:00 (28716): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000001C027EAB850, 8 bytes long.
Data: < ,( > 00 00 2C 28 C0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x000001C029C24300, 1080 bytes long.
Data: <X L > 58 99 00 00 CD CD CD CD 4C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C027EA1070, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:51:00 (41200): wrapper (7.9.26016): starting
22:51:00 (41200): 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 "D:\BOINC\slots\0\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000001E306C1AD60, 8 bytes long.
Data: < > 00 00 0B 07 E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848649} normal block at 0x000001E308934300, 1080 bytes long.
Data: <DH > 44 48 00 00 CD CD CD CD F0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E306C10F20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:23:47 (44688): wrapper (7.9.26016): starting
23:23:47 (44688): 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 "D:\BOINC\slots\0\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
23:28:10 (44688): C:/Windows/system32/cmd.exe exited; CPU time 206.640625
23:28:10 (44688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 bytes in 8 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: 4573802 bytes.
Dumping objects ->
{3850009} normal block at 0x000001D0F7F25790, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3849998} normal block at 0x000001D0F9C00F50, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3849987} normal block at 0x000001D0F9C00DD0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3849976} normal block at 0x000001D0F9BFFFF0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3849965} normal block at 0x000001D0F9C01010, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3849934} normal block at 0x000001D0F7F25720, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3849923} normal block at 0x000001D0F7F7DB40, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3849920} normal block at 0x000001D0F7F1B0D0, 8 bytes long.
Data: < ùÐ > 00 00 90 F9 D0 01 00 00
{3849270} normal block at 0x000001D0F7F7DC10, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3848650} normal block at 0x000001D0F7F1B260, 8 bytes long.
Data: < CÁùÐ > 00 43 C1 F9 D0 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001D0F7F11280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001D0F7F12040, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001D0F7F26280, 16 bytes long.
Data: <hpò÷Ð > 68 70 F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D0F7F25D80, 16 bytes long.
Data: <@pò÷Ð > 40 70 F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D0F7F204F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001D0F7F26230, 16 bytes long.
Data: < pò÷Ð > 18 70 F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D0F7F266E0, 16 bytes long.
Data: <ðoò÷Ð > F0 6F F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D0F7F26690, 16 bytes long.
Data: <Èoò÷Ð > C8 6F F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D0F7F26780, 16 bytes long.
Data: < oò÷Ð > A0 6F F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D0F7F25870, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001D0F7F26BE0, 16 bytes long.
Data: < ñ÷Ð > 08 0B F1 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D0F7F201F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001D0F7F26AF0, 16 bytes long.
Data: <à ñ÷Ð > E0 0A F1 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D0F7F261E0, 16 bytes long.
Data: <¸ ñ÷Ð > B8 0A F1 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D0F7F26C80, 16 bytes long.
Data: < ñ÷Ð > 90 0A F1 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D0F7F25F10, 16 bytes long.
Data: <h ñ÷Ð > 68 0A F1 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D0F7F26190, 16 bytes long.
Data: <@ ñ÷Ð > 40 0A F1 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D0F7F265F0, 16 bytes long.
Data: < ñ÷Ð > 18 0A F1 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D0F7F20490, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001D0F7F265A0, 16 bytes long.
Data: <ð ñ÷Ð > F0 09 F1 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D0F7F109F0, 320 bytes long.
Data: < eò÷Ð ò÷Ð > A0 65 F2 F7 D0 01 00 00 90 04 F2 F7 D0 01 00 00
{279} normal block at 0x000001D0F7F26000, 16 bytes long.
Data: < oò÷Ð > 80 6F F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D0F7F26550, 16 bytes long.
Data: <Xoò÷Ð > 58 6F F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D0F7F1F950, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001D0F7F26140, 16 bytes long.
Data: <0oò÷Ð > 30 6F F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D0F7F1FDD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001D0F7F26460, 16 bytes long.
Data: <xnò÷Ð > 78 6E F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D0F7F26320, 16 bytes long.
Data: <Pnò÷Ð > 50 6E F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D0F7F26AA0, 16 bytes long.
Data: <(nò÷Ð > 28 6E F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D0F7F269B0, 16 bytes long.
Data: < nò÷Ð > 00 6E F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D0F7F25DD0, 16 bytes long.
Data: <Ømò÷Ð > D8 6D F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D0F7F26CD0, 16 bytes long.
Data: <°mò÷Ð > B0 6D F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D0F7F260A0, 16 bytes long.
Data: <PRò÷Ð > 50 52 F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D0F7F25250, 40 bytes long.
Data: < `ò÷Ð Wò÷Ð > A0 60 F2 F7 D0 01 00 00 20 57 F2 F7 D0 01 00 00
{265} normal block at 0x000001D0F7F26640, 16 bytes long.
Data: < mò÷Ð > 90 6D F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D0F7F26500, 16 bytes long.
Data: <hmò÷Ð > 68 6D F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D0F7F1FD70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001D0F7F26730, 16 bytes long.
Data: <@mò÷Ð > 40 6D F2 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D0F7F26D40, 992 bytes long.
Data: <0gò÷Ð pýñ÷Ð > 30 67 F2 F7 D0 01 00 00 70 FD F1 F7 D0 01 00 00
{97} normal block at 0x000001D0F7F1FE90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001D0F7F1AD10, 16 bytes long.
Data: <ðõð÷Ð > F0 F5 F0 F7 D0 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001D0F7F0F5F0, 40 bytes long.
Data: < ­ñ÷Ð þñ÷Ð > 10 AD F1 F7 D0 01 00 00 90 FE F1 F7 D0 01 00 00
{74} normal block at 0x000001D0F7F1B5D0, 16 bytes long.
Data: < ê© ö > 80 EA A9 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001D0F7F1B3F0, 16 bytes long.
Data: <@é© ö > 40 E9 A9 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D0F7F1AB30, 16 bytes long.
Data: <øW¦ ö > F8 57 A6 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D0F7F1B080, 16 bytes long.
Data: <ØW¦ ö > D8 57 A6 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D0F7F1ACC0, 16 bytes long.
Data: <P ¦ ö > 50 04 A6 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D0F7F1B710, 16 bytes long.
Data: <0 ¦ ö > 30 04 A6 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D0F7F1AC70, 16 bytes long.
Data: <à ¦ ö > E0 02 A6 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D0F7F1AC20, 16 bytes long.
Data: < ¦ ö > 10 04 A6 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D0F7F1A9F0, 16 bytes long.
Data: <p ¦ ö > 70 04 A6 0C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D0F7F1ADB0, 16 bytes long.
Data: < À¤ ö > 18 C0 A4 0C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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