Task 38582178
| Name | HIF2A_A21_A07_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND7005_1 |
| Workunit | 31546430 |
| Created | 12 Dec 2025, 22:44:38 UTC |
| Sent | 12 Dec 2025, 22:44:42 UTC |
| Report deadline | 17 Dec 2025, 22:44:42 UTC |
| Received | 17 Dec 2025, 21:09:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 633723 |
| Run time | 3 hours 10 min |
| CPU time | 3 hours 10 min |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 6,456.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 426.99 MB |
| Peak swap size | 2.65 GB |
| Peak disk usage | 4.38 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
00:01:45 (8896): wrapper (7.9.26016): starting
00:01:45 (8896): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A07_0.pdb
QB_A21_A07_0.xml
QB_A21_A07_equil.pdb
QB_A21_A07.inpcrd
QB_A21_A07_input.yaml
QB_A21_A07_mdlambda.pdb
QB_A21_A07_min.pdb
QB_A21_A07_npt.pdb
QB_A21_A07.pdb
QB_A21_A07.prmtop
QB_A21_A07_sys.xml
QB_A21_A07_therm.pdb
run.bat
run.sh
00:01:46 (8896): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:01:46 (8896): 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\5\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\5\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
Downloading setuptools-80.9.0-py3-none-any.whl.metadata (6.6 kB)
Collecting setuptools-scm>=8
Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/3d/ea/ac2bf868899d0d2e82ef72d350d97a846110c709bacf2d968431576ca915/setuptools_scm-9.2.2-py3-none-any.whl.metadata
Downloading setuptools_scm-9.2.2-py3-none-any.whl.metadata (7.7 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/20/12/38679034af332785aac8774540895e234f4d07f7545804097de4b666afd8/packaging-25.0-py3-none-any.whl.metadata
Downloading packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
Downloading setuptools-80.9.0-py3-none-any.whl (1.2 MB)
---------------------------------------- 1.2/1.2 MB 4.6 MB/s eta 0:00:00
Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
Downloading packaging-25.0-py3-none-any.whl (66 kB)
Installing collected packages: setuptools, packaging, setuptools-scm
Creating C:\ProgramData\BOINC\slots\5\pip-build-env-jj5mwj_3\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\5\pip-build-env-jj5mwj_3\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\5\pip-build-env-jj5mwj_3\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\5\pip-modern-metadata-jm3_qqpk\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\5\pip-modern-metadata-jm3_qqpk\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\5\pip-modern-metadata-jm3_qqpk\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\5\pip-modern-metadata-jm3_qqpk\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\5\pip-modern-metadata-jm3_qqpk\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\5\pip-modern-metadata-jm3_qqpk\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\5\pip-modern-metadata-jm3_qqpk\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\5\pip-modern-metadata-jm3_qqpk\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\5\pip-modern-metadata-jm3_qqpk\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\5\pip-modern-metadata-jm3_qqpk\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\5\pip-build-env-jj5mwj_3\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\5\pip-wheel-rwf7k3sf\.tmp-pwtq79lf\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\5\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.
00:39:18 (6208): wrapper (7.9.26016): starting
00:39:18 (6208): 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\5\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000002AA35D6CA00, 8 bytes long.
Data: < 6 > 00 00 20 36 AA 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000002AA35D5E290, 1080 bytes long.
Data: <`> > 60 3E 00 00 CD CD CD CD 10 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000002AA35D626D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:14:21 (14844): wrapper (7.9.26016): starting
01:14:21 (14844): 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\5\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x00000247FCEEB550, 8 bytes long.
Data: < 2 G > 00 00 32 FD 47 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x00000247FCEDE290, 1080 bytes long.
Data: < = > 9C 3D 00 00 CD CD CD CD 94 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x00000247FCEE1920, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:19:21 (12432): wrapper (7.9.26016): starting
01:19:21 (12432): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000001A65BCBB5A0, 8 bytes long.
Data: < \ > 00 00 19 5C A6 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000001A65BCAE290, 1080 bytes long.
Data: < > D8 11 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000001A65BCB1A60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:42:03 (4152): wrapper (7.9.26016): starting
01:42:03 (4152): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000002BE31D6BA00, 8 bytes long.
Data: < 1 > 00 00 D4 31 BE 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000002BE31D5E290, 1080 bytes long.
Data: < S > EC 53 00 00 CD CD CD CD D0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000002BE31D621E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:59:44 (6240): wrapper (7.9.26016): starting
15:59:44 (6240): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x0000026B6A30C0E0, 8 bytes long.
Data: < ejk > 00 00 65 6A 6B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x0000026B6A2FE290, 1080 bytes long.
Data: < > 08 1E 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x0000026B6A301E20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:19:01 (4724): wrapper (7.9.26016): starting
18:19:01 (4724): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000001C79ACABFA0, 8 bytes long.
Data: < > 00 00 14 9B C7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000001C79AC9E290, 1080 bytes long.
Data: <46 , > 34 36 00 00 CD CD CD CD 2C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000001C79ACA1F60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:39:17 (20840): wrapper (7.9.26016): starting
19:39:17 (20840): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000001717009BE60, 8 bytes long.
Data: < Opq > 00 00 4F 70 71 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000001717008E290, 1080 bytes long.
Data: < O > 94 4F 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x00000171700916A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:29:00 (14112): wrapper (7.9.26016): starting
23:29:00 (14112): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000001C7E106B730, 8 bytes long.
Data: < > 00 00 01 E1 C7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000001C7E105E290, 1080 bytes long.
Data: <XN $ > 58 4E 00 00 CD CD CD CD 24 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000001C7E1061920, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:37:01 (15132): wrapper (7.9.26016): starting
23:37:01 (15132): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000001DC7096B460, 8 bytes long.
Data: < Hr > 00 00 48 72 DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000001DC7095E290, 1080 bytes long.
Data: <06 > 30 36 00 00 CD CD CD CD D0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000001DC70961CE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:48:41 (15004): wrapper (7.9.26016): starting
23:48:41 (15004): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000001A1AF0EB540, 8 bytes long.
Data: < U > 00 00 55 AF A1 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000001A1AF0DF0D0, 1080 bytes long.
Data: < ! > E8 21 00 00 CD CD CD CD 08 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000001A1AF0E21D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:57:03 (21832): wrapper (7.9.26016): starting
23:57:03 (21832): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000001AC0750B780, 8 bytes long.
Data: < N > 00 00 4E 07 AC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000001AC074FE290, 1080 bytes long.
Data: < $ l > 0C 24 00 00 CD CD CD CD 6C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000001AC075021E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
00:07:16 (2696): wrapper (7.9.26016): starting
00:07:16 (2696): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x00000213C1C3C2F0, 8 bytes long.
Data: < > 00 00 F7 C1 13 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x00000213C1C2E290, 1080 bytes long.
Data: < > 14 0E 00 00 CD CD CD CD E4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x00000213C1C2FD50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:31:32 (22736): wrapper (7.9.26016): starting
13:31:32 (22736): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x0000020599F1BA40, 8 bytes long.
Data: < > 00 00 EF 99 05 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x0000020599F115C0, 1080 bytes long.
Data: < H > F4 48 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x0000020599F11000, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:10:17 (18040): wrapper (7.9.26016): starting
21:10:17 (18040): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000001A3CFA6B580, 8 bytes long.
Data: < > 00 00 A4 CF A3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000001A3CFB4EB70, 1080 bytes long.
Data: < G > 14 47 00 00 CD CD CD CD DC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000001A3CFA61520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:09:30 (3000): wrapper (7.9.26016): starting
11:09:30 (3000): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x0000022E8BF8C340, 8 bytes long.
Data: < . > 00 00 F5 8B 2E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x0000022E8BF7E270, 1080 bytes long.
Data: <t1 > 74 31 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x0000022E8BF7FFB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:56:38 (17876): wrapper (7.9.26016): starting
19:56:38 (17876): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
09:00:10 (14548): wrapper (7.9.26016): starting
09:00:10 (14548): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x000001D01FBCC350, 8 bytes long.
Data: < > 00 00 F4 1F D0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x000001D01FBBE270, 1080 bytes long.
Data: <\- > 5C 2D 00 00 CD CD CD CD EC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000001D01FBC2800, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:25:36 (11792): wrapper (7.9.26016): starting
09:25:36 (11792): 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\5\tmp" existiert bereits.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x0000027DB2C8C9F0, 8 bytes long.
Data: < } > 00 00 11 B3 7D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x0000027DB2C7E270, 1080 bytes long.
Data: < 7 > 80 37 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x0000027DB2C82940, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:40:00 (9252): wrapper (7.9.26016): starting
09:40:00 (9252): 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\5\tmp" existiert bereits.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849903} normal block at 0x0000021A19E4C780, 8 bytes long.
Data: < > 00 00 E1 19 1A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848665} normal block at 0x0000021A19E3E270, 1080 bytes long.
Data: < & > 94 26 00 00 CD CD CD CD D0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x0000021A19E42950, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:35:48 (3352): wrapper (7.9.26016): starting
10:35:48 (3352): 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\5\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
10:41:36 (3352): C:/Windows/system32/cmd.exe exited; CPU time 239.453125
10:41:36 (3352): 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: 5531386 bytes.
Dumping objects ->
{3849991} normal block at 0x000001EEB6BFBC40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849980} normal block at 0x000001EEB6BFB700, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849969} normal block at 0x000001EEB6BFB850, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849958} normal block at 0x000001EEB6BFB620, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849947} normal block at 0x000001EEB6BFBBD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849916} normal block at 0x000001EEB86CE270, 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) : {3849903} normal block at 0x000001EEB6BCB710, 8 bytes long.
Data: < ñ¶î > 00 00 F1 B6 EE 01 00 00
{3848666} normal block at 0x000001EEB6BCB8A0, 8 bytes long.
Data: <p⻶î > 70 E2 BB B6 EE 01 00 00
..\zip\boinc_zip.cpp(122) : {323} normal block at 0x000001EEB6BC2BD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000001EEB6BBF480, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{307} normal block at 0x000001EEB6BD6DF0, 16 bytes long.
Data: <Hz½¶î > 48 7A BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001EEB6BD6EE0, 16 bytes long.
Data: < z½¶î > 20 7A BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001EEB6BD00E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{304} normal block at 0x000001EEB6BD6D00, 16 bytes long.
Data: <øy½¶î > F8 79 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001EEB6BD6C60, 16 bytes long.
Data: <Ðy½¶î > D0 79 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001EEB6BD6CB0, 16 bytes long.
Data: <¨y½¶î > A8 79 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001EEB6BD68F0, 16 bytes long.
Data: < y½¶î > 80 79 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001EEB6BD4D40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{299} normal block at 0x000001EEB6BD6B70, 16 bytes long.
Data: <( ¼¶î > 28 0C BC B6 EE 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001EEB6BD0800, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{297} normal block at 0x000001EEB6BD7160, 16 bytes long.
Data: < ¼¶î > 00 0C BC B6 EE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EEB6BD67B0, 16 bytes long.
Data: <Ø ¼¶î > D8 0B BC B6 EE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EEB6BD6800, 16 bytes long.
Data: <° ¼¶î > B0 0B BC B6 EE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EEB6BD7570, 16 bytes long.
Data: < ¼¶î > 88 0B BC B6 EE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EEB6BD7110, 16 bytes long.
Data: <` ¼¶î > 60 0B BC B6 EE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EEB6BD6760, 16 bytes long.
Data: <8 ¼¶î > 38 0B BC B6 EE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EEB6BD0860, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{289} normal block at 0x000001EEB6BD6BC0, 16 bytes long.
Data: < ¼¶î > 10 0B BC B6 EE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EEB6BC0B10, 320 bytes long.
Data: <Àk½¶î ` ½¶î > C0 6B BD B6 EE 01 00 00 60 08 BD B6 EE 01 00 00
{287} normal block at 0x000001EEB6BD7430, 16 bytes long.
Data: <`y½¶î > 60 79 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EEB6BD68A0, 16 bytes long.
Data: <8y½¶î > 38 79 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EEB6BD0740, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{284} normal block at 0x000001EEB6BD6B20, 16 bytes long.
Data: < y½¶î > 10 79 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EEB6BD0CE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{282} normal block at 0x000001EEB6BD6A30, 16 bytes long.
Data: <Xx½¶î > 58 78 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EEB6BD76B0, 16 bytes long.
Data: <0x½¶î > 30 78 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EEB6BD7660, 16 bytes long.
Data: < x½¶î > 08 78 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EEB6BD7250, 16 bytes long.
Data: <àw½¶î > E0 77 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EEB6BD70C0, 16 bytes long.
Data: <¸w½¶î > B8 77 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EEB6BD6AD0, 16 bytes long.
Data: < w½¶î > 90 77 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EEB6BD6DA0, 16 bytes long.
Data: <àO½¶î > E0 4F BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EEB6BD4FE0, 40 bytes long.
Data: < m½¶î pâl¸î > A0 6D BD B6 EE 01 00 00 70 E2 6C B8 EE 01 00 00
{273} normal block at 0x000001EEB6BD7340, 16 bytes long.
Data: <pw½¶î > 70 77 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EEB6BD7520, 16 bytes long.
Data: <Hw½¶î > 48 77 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EEB6BD08C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{270} normal block at 0x000001EEB6BD72A0, 16 bytes long.
Data: < w½¶î > 20 77 BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EEB6BD7720, 992 bytes long.
Data: < r½¶î À ½¶î > A0 72 BD B6 EE 01 00 00 C0 08 BD B6 EE 01 00 00
{105} normal block at 0x000001EEB6BD01A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{104} normal block at 0x000001EEB6BCBDF0, 16 bytes long.
Data: <pO½¶î > 70 4F BD B6 EE 01 00 00 00 00 00 00 00 00 00 00
{103} normal block at 0x000001EEB6BD4F70, 40 bytes long.
Data: <ð½¼¶î   ½¶î > F0 BD BC B6 EE 01 00 00 A0 01 BD B6 EE 01 00 00
{82} normal block at 0x000001EEB6BCBC10, 16 bytes long.
Data: < êAáö > 80 EA 41 E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001EEB6BCB7B0, 16 bytes long.
Data: <@éAáö > 40 E9 41 E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001EEB6BCB080, 16 bytes long.
Data: <øW>áö > F8 57 3E E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001EEB6BCB0D0, 16 bytes long.
Data: <ØW>áö > D8 57 3E E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001EEB6BCBBC0, 16 bytes long.
Data: <P >áö > 50 04 3E E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001EEB6BCBB70, 16 bytes long.
Data: <0 >áö > 30 04 3E E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001EEB6BCBFD0, 16 bytes long.
Data: <à >áö > E0 02 3E E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001EEB6BCB8F0, 16 bytes long.
Data: < >áö > 10 04 3E E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001EEB6BCB4E0, 16 bytes long.
Data: <p >áö > 70 04 3E E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001EEB6BCBC60, 16 bytes long.
Data: < À<áö > 18 C0 3C E1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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