Task 38584846
| Name | HIF2A_A17_A24_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-4-5-RND9789_0 |
| Workunit | 31548343 |
| Created | 18 Dec 2025, 3:43:34 UTC |
| Sent | 18 Dec 2025, 3:43:41 UTC |
| Report deadline | 23 Dec 2025, 3:43:41 UTC |
| Received | 18 Dec 2025, 12:30:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630776 |
| Run time | 5 hours 15 min 25 sec |
| CPU time | 5 hours 15 min 25 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 20,048.97 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.18 MB |
| Peak swap size | 12.59 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:06:51 (11416): wrapper (7.9.26016): starting
22:06:51 (11416): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A17_A24_0.pdb
QB_A17_A24_0.xml
QB_A17_A24_equil.pdb
QB_A17_A24.inpcrd
QB_A17_A24_input.yaml
QB_A17_A24_mdlambda.pdb
QB_A17_A24_min.pdb
QB_A17_A24_npt.pdb
QB_A17_A24.pdb
QB_A17_A24.prmtop
QB_A17_A24_sys.xml
QB_A17_A24_therm.pdb
run.bat
run.sh
22:06:56 (11416): Library/usr/bin/tar.exe exited; CPU time 0.062500
22:06:56 (11416): 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\10\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\10\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 C:\ProgramData\BOINC\slots\10\pip-build-env-o436p0ez\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\10\pip-build-env-o436p0ez\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\10\pip-build-env-o436p0ez\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\10\pip-modern-metadata-ugzlfz5z\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\10\pip-modern-metadata-ugzlfz5z\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\10\pip-modern-metadata-ugzlfz5z\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\10\pip-modern-metadata-ugzlfz5z\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\10\pip-modern-metadata-ugzlfz5z\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\10\pip-modern-metadata-ugzlfz5z\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\10\pip-modern-metadata-ugzlfz5z\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\10\pip-modern-metadata-ugzlfz5z\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\10\pip-modern-metadata-ugzlfz5z\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\10\pip-modern-metadata-ugzlfz5z\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\10\pip-build-env-o436p0ez\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\10\pip-wheel-wm85roa1\.tmp-x8gzufi0\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\10\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) : {3835363} normal block at 0x000001FA10AFE940, 8 bytes long.
Data: < > 00 00 F9 10 FA 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833972} normal block at 0x000001FA12967F40, 1080 bytes long.
Data: <| > 7C 1B 00 00 CD CD CD CD FC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001FA10AF5010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:24:54 (20216): wrapper (7.9.26016): starting
22:24:54 (20216): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x0000018558B68760, 8 bytes long.
Data: < Y > 00 00 08 59 85 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000018558B68DF0, 1080 bytes long.
Data: < a > 08 61 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
22:48:10 (35160): wrapper (7.9.26016): starting
22:48:10 (35160): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x000001BC81B26CC0, 8 bytes long.
Data: < > 00 00 14 82 BC 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001BC81B280A0, 1080 bytes long.
Data: <xM > 78 4D 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
23:10:43 (6752): wrapper (7.9.26016): starting
23:10:43 (6752): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x00000201765871A0, 8 bytes long.
Data: < v > 00 00 BD 76 01 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000020176587C20, 1080 bytes long.
Data: < > 18 06 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
23:29:35 (33648): wrapper (7.9.26016): starting
23:29:35 (33648): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x000001C4D2DC6D20, 8 bytes long.
Data: < > 00 00 D9 D2 C4 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001C4D2DC71B0, 1080 bytes long.
Data: < o > A0 6F 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
23:51:19 (2412): wrapper (7.9.26016): starting
23:51:19 (2412): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x00000137A4826490, 8 bytes long.
Data: < y 7 > 00 00 79 A4 37 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x00000137A4827190, 1080 bytes long.
Data: < > F4 88 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
00:13:24 (16804): wrapper (7.9.26016): starting
00:13:24 (16804): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x0000022CF56B85C0, 8 bytes long.
Data: < , > 00 00 AB F5 2C 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000022CF56B8830, 1080 bytes long.
Data: <4 > 34 05 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
00:36:18 (36640): wrapper (7.9.26016): starting
00:36:18 (36640): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x0000015EF8F85EA0, 8 bytes long.
Data: < ^ > 00 00 F1 F8 5E 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000015EF8F87140, 1080 bytes long.
Data: < h > D8 68 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
00:56:05 (35968): wrapper (7.9.26016): starting
00:56:05 (35968): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x000001A4B6BF6850, 8 bytes long.
Data: < > 00 00 19 B7 A4 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001A4B6BF7190, 1080 bytes long.
Data: < ) > 00 29 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
01:18:28 (29932): wrapper (7.9.26016): starting
01:18:28 (29932): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x00000200712766E0, 8 bytes long.
Data: < |q > 00 00 7C 71 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x00000200712771B0, 1080 bytes long.
Data: <X > 58 8B 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
01:40:18 (32060): wrapper (7.9.26016): starting
01:40:18 (32060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x000001DC067864B0, 8 bytes long.
Data: < 0 > 00 00 30 08 DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001DC067871B0, 1080 bytes long.
Data: <,U > 2C 55 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
02:00:31 (36772): wrapper (7.9.26016): starting
02:00:31 (36772): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x0000027514B26F50, 8 bytes long.
Data: < u > 00 00 FE 14 75 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000027514B27840, 1080 bytes long.
Data: < > D0 1C 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
02:22:20 (30032): wrapper (7.9.26016): starting
02:22:20 (30032): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x0000021C21227170, 8 bytes long.
Data: < ! > 00 00 18 21 1C 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000021C212280A0, 1080 bytes long.
Data: <H > 48 20 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
02:43:44 (32132): wrapper (7.9.26016): starting
02:43:44 (32132): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x0000020D32F968C0, 8 bytes long.
Data: < B3 > 00 00 42 33 0D 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000020D32F971B0, 1080 bytes long.
Data: < > C0 81 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
03:06:02 (11248): wrapper (7.9.26016): starting
03:06:02 (11248): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x000001F702026AA0, 8 bytes long.
Data: < L > 00 00 4C 02 F7 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001F7020271B0, 1080 bytes long.
Data: < . > 8C 2E 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
03:25:47 (16656): wrapper (7.9.26016): starting
03:25:47 (16656): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x0000015FD2FC6730, 8 bytes long.
Data: < G _ > 00 00 47 D3 5F 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000015FD2FC7160, 1080 bytes long.
Data: < W > CC 57 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
03:47:49 (33712): wrapper (7.9.26016): starting
03:47:49 (33712): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x000001F696D863C0, 8 bytes long.
Data: < > 00 00 D0 96 F6 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001F696D871B0, 1080 bytes long.
Data: < > 00 0E 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
04:07:33 (29220): wrapper (7.9.26016): starting
04:07:33 (29220): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x0000024413BA6D20, 8 bytes long.
Data: < D > 00 00 06 14 44 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000024413BA71B0, 1080 bytes long.
Data: < p > 18 70 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
04:30:43 (12336): wrapper (7.9.26016): starting
04:30:43 (12336): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x000001D968E96690, 8 bytes long.
Data: < 4i > 00 00 34 69 D9 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001D968E971B0, 1080 bytes long.
Data: <@ > 40 82 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
04:52:21 (11540): wrapper (7.9.26016): starting
04:52:21 (11540): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x00000281BC7B6320, 8 bytes long.
Data: < > 00 00 C7 BC 81 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x00000281BC7B7160, 1080 bytes long.
Data: <l> > 6C 3E 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
05:12:07 (35276): wrapper (7.9.26016): starting
05:12:07 (35276): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x0000019CD05364B0, 8 bytes long.
Data: < N > 00 00 4E D0 9C 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000019CD0537200, 1080 bytes long.
Data: < | > B4 7C 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
05:35:39 (8048): wrapper (7.9.26016): starting
05:35:39 (8048): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x000001D1A7836E10, 8 bytes long.
Data: < > 00 00 80 A7 D1 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001D1A7837E30, 1080 bytes long.
Data: <xR > 78 52 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
05:55:22 (35628): wrapper (7.9.26016): starting
05:55:22 (35628): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1702} normal block at 0x000001CB12996230, 8 bytes long.
Data: < > 00 00 D5 12 CB 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001CB12997160, 1080 bytes long.
Data: < $ > 18 24 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
06:16:24 (4060): wrapper (7.9.26016): starting
06:16:24 (4060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\10\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
06:29:12 (4060): C:/Windows/system32/cmd.exe exited; CPU time 688.484375
06:29:12 (4060): 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: 15677467 bytes.
Dumping objects ->
{1790} normal block at 0x0000026CEE176180, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1779} normal block at 0x0000026CEE175E70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1768} normal block at 0x0000026CEE176420, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1757} normal block at 0x0000026CEE1763B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1746} normal block at 0x0000026CEE175E00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1715} normal block at 0x0000026CEE15EEA0, 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) : {1702} normal block at 0x0000026CEE1774C0, 8 bytes long.
Data: < l > 00 00 82 EE 6C 02 00 00
{312} normal block at 0x0000026CEE177060, 8 bytes long.
Data: < | l > 20 7C 17 EE 6C 02 00 00
{303} normal block at 0x0000026CEE162240, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x0000026CEE177650, 16 bytes long.
Data: <({ l > 28 7B 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000026CEE177560, 16 bytes long.
Data: < { l > 00 7B 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000026CEE170A90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x0000026CEE177150, 16 bytes long.
Data: < z l > D8 7A 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000026CEE177420, 16 bytes long.
Data: < z l > B0 7A 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000026CEE176E80, 16 bytes long.
Data: < z l > 88 7A 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026CEE177470, 16 bytes long.
Data: <`z l > 60 7A 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026CEE175EE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x0000026CEE176B60, 16 bytes long.
Data: < l > 18 10 16 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026CEE1711B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x0000026CEE1776F0, 16 bytes long.
Data: < l > F0 0F 16 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026CEE176CA0, 16 bytes long.
Data: < l > C8 0F 16 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026CEE176B10, 16 bytes long.
Data: < l > A0 0F 16 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026CEE177100, 16 bytes long.
Data: <x l > 78 0F 16 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026CEE177380, 16 bytes long.
Data: <P l > 50 0F 16 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026CEE177790, 16 bytes long.
Data: <( l > 28 0F 16 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026CEE170730, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x0000026CEE177600, 16 bytes long.
Data: < l > 00 0F 16 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026CEE160F00, 320 bytes long.
Data: < v l 0 l > 00 76 17 EE 6C 02 00 00 30 07 17 EE 6C 02 00 00
{282} normal block at 0x0000026CEE1776A0, 16 bytes long.
Data: <@z l > 40 7A 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026CEE177010, 16 bytes long.
Data: < z l > 18 7A 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026CEE1710F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x0000026CEE177740, 16 bytes long.
Data: < y l > F0 79 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026CEE170850, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x0000026CEE176FC0, 16 bytes long.
Data: <8y l > 38 79 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026CEE176C50, 16 bytes long.
Data: < y l > 10 79 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026CEE176AC0, 16 bytes long.
Data: < x l > E8 78 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026CEE1773D0, 16 bytes long.
Data: < x l > C0 78 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026CEE177510, 16 bytes long.
Data: < x l > 98 78 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026CEE177330, 16 bytes long.
Data: <px l > 70 78 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026CEE1772E0, 16 bytes long.
Data: <@c l > 40 63 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026CEE176340, 40 bytes long.
Data: < r l l > E0 72 17 EE 6C 02 00 00 A0 EE 15 EE 6C 02 00 00
{268} normal block at 0x0000026CEE176F70, 16 bytes long.
Data: <Px l > 50 78 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026CEE176C00, 16 bytes long.
Data: <(x l > 28 78 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026CEE170EB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x0000026CEE177290, 16 bytes long.
Data: < x l > 00 78 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026CEE177800, 992 bytes long.
Data: < r l l > 90 72 17 EE 6C 02 00 00 B0 0E 17 EE 6C 02 00 00
{100} normal block at 0x0000026CEE170FD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x0000026CEE16EB80, 16 bytes long.
Data: < a l > F0 61 17 EE 6C 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x0000026CEE1761F0, 40 bytes long.
Data: < l l > 80 EB 16 EE 6C 02 00 00 D0 0F 17 EE 6C 02 00 00
{77} normal block at 0x0000026CEE16EDB0, 16 bytes long.
Data: < > 80 EA E8 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000026CEE16E630, 16 bytes long.
Data: <@ > 40 E9 E8 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000026CEE16E4A0, 16 bytes long.
Data: < W > F8 57 E5 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000026CEE16E7C0, 16 bytes long.
Data: < W > D8 57 E5 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000026CEE16ED60, 16 bytes long.
Data: <P > 50 04 E5 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026CEE16E450, 16 bytes long.
Data: <0 > 30 04 E5 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026CEE16EE50, 16 bytes long.
Data: < > E0 02 E5 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026CEE16EE00, 16 bytes long.
Data: < > 10 04 E5 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026CEE16F210, 16 bytes long.
Data: <p > 70 04 E5 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026CEE16E3B0, 16 bytes long.
Data: < > 18 C0 E3 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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