Task 38582075
| Name | HIF2A_A33_A12_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND5369_0 |
| Workunit | 31546444 |
| Created | 12 Dec 2025, 20:25:17 UTC |
| Sent | 12 Dec 2025, 20:25:24 UTC |
| Report deadline | 17 Dec 2025, 20:25:24 UTC |
| Received | 13 Dec 2025, 12:08:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 635638 |
| Run time | 5 hours 59 min 33 sec |
| CPU time | 5 hours 33 min 21 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 52,383.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 489.00 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 4.38 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
00:12:46 (33956): wrapper (7.9.26016): starting
00:12:46 (33956): 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
00:12:47 (33956): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:12:47 (33956): 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\31\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\31\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
Using cached setuptools-80.9.0-py3-none-any.whl.metadata (6.6 kB)
Collecting setuptools-scm>=8
Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/3d/ea/ac2bf868899d0d2e82ef72d350d97a846110c709bacf2d968431576ca915/setuptools_scm-9.2.2-py3-none-any.whl.metadata
Using cached setuptools_scm-9.2.2-py3-none-any.whl.metadata (7.7 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/20/12/38679034af332785aac8774540895e234f4d07f7545804097de4b666afd8/packaging-25.0-py3-none-any.whl.metadata
Using cached packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
Using cached setuptools-80.9.0-py3-none-any.whl (1.2 MB)
Using cached setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
Using cached packaging-25.0-py3-none-any.whl (66 kB)
Installing collected packages: setuptools, packaging, setuptools-scm
Creating C:\ProgramData\BOINC\slots\31\pip-build-env-yerop_c6\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\31\pip-build-env-yerop_c6\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\31\pip-build-env-yerop_c6\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\31\pip-modern-metadata-q4xtorjv\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\31\pip-modern-metadata-q4xtorjv\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\31\pip-modern-metadata-q4xtorjv\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\31\pip-modern-metadata-q4xtorjv\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\31\pip-modern-metadata-q4xtorjv\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\31\pip-modern-metadata-q4xtorjv\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\31\pip-modern-metadata-q4xtorjv\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\31\pip-modern-metadata-q4xtorjv\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\31\pip-modern-metadata-q4xtorjv\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\31\pip-modern-metadata-q4xtorjv\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\31\pip-build-env-yerop_c6\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\31\pip-wheel-9jizqwha\.tmp-szizf4_c\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\31\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) : {3835635} normal block at 0x000001F03AABD470, 8 bytes long.
Data: < : > 00 00 A8 3A F0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834080} normal block at 0x000001F03AAAD790, 1080 bytes long.
Data: < 3 > A4 33 00 00 CD CD CD CD 80 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001F03AAB0BE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
02:58:02 (7640): wrapper (7.9.26016): starting
02:58:02 (7640): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000001F965A7CB00, 8 bytes long.
Data: < Og > 00 00 4F 67 F9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001F965A84720, 1080 bytes long.
Data: < : > 88 3A 00 00 CD CD CD CD 9C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001F965A71540, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
03:06:11 (34752): wrapper (7.9.26016): starting
03:06:11 (34752): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000002A8A0ECD340, 8 bytes long.
Data: < : > 00 00 3A A1 A8 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000002A8A2F74330, 1080 bytes long.
Data: <H > 48 86 00 00 CD CD CD CD C8 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000002A8A0EC0B50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
03:19:30 (8376): wrapper (7.9.26016): starting
03:19:30 (8376): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
03:45:29 (32436): wrapper (7.9.26016): starting
03:45:29 (32436): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x00000228FE8CD240, 8 bytes long.
Data: < ( > 00 00 85 FE 28 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x00000228FE8BD790, 1080 bytes long.
Data: <T1 > 54 31 00 00 CD CD CD CD C0 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000228FE8C0E60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
03:52:52 (5620): wrapper (7.9.26016): starting
03:52:52 (5620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x00000278ADC1DB00, 8 bytes long.
Data: < x > 00 00 0C AE 78 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x00000278AFDD4480, 1080 bytes long.
Data: < I > 80 49 00 00 CD CD CD CD 94 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000278ADC10960, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
04:45:08 (6296): wrapper (7.9.26016): starting
04:45:08 (6296): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000001F6F17EDB50, 8 bytes long.
Data: < { > 00 00 7B F1 F6 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001F6F17DD790, 1080 bytes long.
Data: < > AC 20 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001F6F17E0E60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:54:36 (32316): wrapper (7.9.26016): starting
09:54:36 (32316): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000001EA4A89DBA0, 8 bytes long.
Data: < J > 00 00 82 4A EA 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001EA4A88D790, 1080 bytes long.
Data: <(% > 28 25 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001EA4A891360, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:24:22 (37076): wrapper (7.9.26016): starting
10:24:22 (37076): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000001EC0C9FE280, 8 bytes long.
Data: < > 00 00 9B 0C EC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001EC0EA8A250, 1080 bytes long.
Data: < > A4 80 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001EC0C9F2F90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:35:54 (39376): wrapper (7.9.26016): starting
10:35:54 (39376): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000002C36526DDD0, 8 bytes long.
Data: < e > 00 00 8D 65 C3 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000002C365275940, 1080 bytes long.
Data: < } D > AC 7D 00 00 CD CD CD CD 44 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000002C365261800, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:42:33 (31060): wrapper (7.9.26016): starting
10:42:33 (31060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x00000210CF49D390, 8 bytes long.
Data: < D > 00 00 44 CF 10 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x00000210CF4A4EB0, 1080 bytes long.
Data: <| > 7C 81 00 00 CD CD CD CD A0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000210CF4911D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:45:33 (38096): wrapper (7.9.26016): starting
10:45:33 (38096): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x0000029C1398DE80, 8 bytes long.
Data: < > 00 00 F4 13 9C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x0000029C15A94250, 1080 bytes long.
Data: < > D8 9B 00 00 CD CD CD CD C0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000029C13980B00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:05:25 (37600): wrapper (7.9.26016): starting
11:05:25 (37600): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x00000173B618E0B0, 8 bytes long.
Data: < g s > 00 00 67 B6 73 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x00000173B82F4480, 1080 bytes long.
Data: <L $ > 4C 93 00 00 CD CD CD CD 24 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000173B61814B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:11:36 (36348): wrapper (7.9.26016): starting
11:11:36 (36348): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000001D4101DDF40, 8 bytes long.
Data: < > 00 00 17 10 D4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001D4101CD760, 1080 bytes long.
Data: <@{ > 40 7B 00 00 CD CD CD CD 9C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001D4101D1110, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:25:45 (12892): wrapper (7.9.26016): starting
11:25:45 (12892): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000001F2BEFFD2E0, 8 bytes long.
Data: < Z > 00 00 5A BF F2 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001F2BEFED760, 1080 bytes long.
Data: <,O > 2C 4F 00 00 CD CD CD CD B4 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001F2BEFF1220, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:30:18 (980): wrapper (7.9.26016): starting
11:30:18 (980): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000001F435D3E740, 8 bytes long.
Data: < :6 > 00 00 3A 36 F4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001F435D2D790, 1080 bytes long.
Data: <x x > 78 84 00 00 CD CD CD CD 78 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001F435D32840, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:40:29 (31620): wrapper (7.9.26016): starting
11:40:29 (31620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850318} normal block at 0x000001D583ADDA70, 8 bytes long.
Data: < > 00 00 1A 84 D5 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848763} normal block at 0x000001D585D05540, 1080 bytes long.
Data: < > A4 1E 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001D583AD0B90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:05:10 (39036): wrapper (7.9.26016): starting
12:05:10 (39036): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
×ÓĿ¼»òÎļþ C:\ProgramData\BOINC\slots\31\tmp ÒѾ­´æÔÚ¡£
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
12:08:19 (39036): C:/Windows/system32/cmd.exe exited; CPU time 167.781250
12:08:19 (39036): 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: 4416133 bytes.
Dumping objects ->
{3850406} normal block at 0x000001CA53ECE410, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850395} normal block at 0x000001CA53ECEDB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850384} normal block at 0x000001CA53ECE090, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3850373} normal block at 0x000001CA53ECE170, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850362} normal block at 0x000001CA53ECEB10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3850331} normal block at 0x000001CA53F6DA30, 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) : {3850318} normal block at 0x000001CA51E6E190, 8 bytes long.
Data: < IR > 00 00 49 52 CA 01 00 00
{3848764} normal block at 0x000001CA51E6DD80, 8 bytes long.
Data: <` Q > 60 D7 E5 51 CA 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001CA51E615E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001CA51E626F0, 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 0x000001CA51E756B0, 16 bytes long.
Data: < i Q > B8 69 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001CA51E76010, 16 bytes long.
Data: < i Q > 90 69 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001CA51E702B0, 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 0x000001CA51E75750, 16 bytes long.
Data: <hi Q > 68 69 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001CA51E75BB0, 16 bytes long.
Data: <@i Q > 40 69 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CA51E75520, 16 bytes long.
Data: < i Q > 18 69 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CA51E75FC0, 16 bytes long.
Data: < h Q > F0 68 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CA51E73A90, 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 0x000001CA51E761A0, 16 bytes long.
Data: <H Q > 48 B5 E5 51 CA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CA51E701F0, 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 0x000001CA51E75F20, 16 bytes long.
Data: < Q > 20 B5 E5 51 CA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CA51E757A0, 16 bytes long.
Data: < Q > F8 B4 E5 51 CA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CA51E75B10, 16 bytes long.
Data: < Q > D0 B4 E5 51 CA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CA51E75840, 16 bytes long.
Data: < Q > A8 B4 E5 51 CA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CA51E75AC0, 16 bytes long.
Data: < Q > 80 B4 E5 51 CA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CA51E75E80, 16 bytes long.
Data: <X Q > 58 B4 E5 51 CA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CA51E70430, 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 0x000001CA51E761F0, 16 bytes long.
Data: <0 Q > 30 B4 E5 51 CA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CA51E5B430, 320 bytes long.
Data: < a Q 0 Q > F0 61 E7 51 CA 01 00 00 30 04 E7 51 CA 01 00 00
{282} normal block at 0x000001CA51E75A20, 16 bytes long.
Data: < h Q > D0 68 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CA51E75CA0, 16 bytes long.
Data: < h Q > A8 68 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CA51E6F830, 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 0x000001CA51E75D90, 16 bytes long.
Data: < h Q > 80 68 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CA51E6FA10, 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 0x000001CA51E75C00, 16 bytes long.
Data: < g Q > C8 67 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CA51E76060, 16 bytes long.
Data: < g Q > A0 67 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CA51E755C0, 16 bytes long.
Data: <xg Q > 78 67 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CA51E757F0, 16 bytes long.
Data: <Pg Q > 50 67 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CA51E76330, 16 bytes long.
Data: <(g Q > 28 67 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CA51E75B60, 16 bytes long.
Data: < g Q > 00 67 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CA51E76470, 16 bytes long.
Data: < : Q > 20 3A E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CA51E73A20, 40 bytes long.
Data: <pd Q 0 S > 70 64 E7 51 CA 01 00 00 30 DA F6 53 CA 01 00 00
{268} normal block at 0x000001CA51E76420, 16 bytes long.
Data: < f Q > E0 66 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CA51E75ED0, 16 bytes long.
Data: < f Q > B8 66 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CA51E70010, 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 0x000001CA51E75980, 16 bytes long.
Data: < f Q > 90 66 E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CA51E76690, 992 bytes long.
Data: < Y Q Q > 80 59 E7 51 CA 01 00 00 10 00 E7 51 CA 01 00 00
{100} normal block at 0x000001CA51E70070, 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 0x000001CA51E6D290, 16 bytes long.
Data: <0= Q > 30 3D E7 51 CA 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001CA51E73D30, 40 bytes long.
Data: < Q p Q > 90 D2 E6 51 CA 01 00 00 70 00 E7 51 CA 01 00 00
{75} normal block at 0x000001CA51E6DA10, 16 bytes long.
Data: < X > 80 EA A0 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001CA51E6DCE0, 16 bytes long.
Data: <@ X > 40 E9 A0 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001CA51E6DF10, 16 bytes long.
Data: < W X > F8 57 9D 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001CA51E6D2E0, 16 bytes long.
Data: < W X > D8 57 9D 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001CA51E6E0F0, 16 bytes long.
Data: <P X > 50 04 9D 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CA51E6D790, 16 bytes long.
Data: <0 X > 30 04 9D 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CA51E6D4C0, 16 bytes long.
Data: < X > E0 02 9D 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CA51E6DAB0, 16 bytes long.
Data: < X > 10 04 9D 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CA51E6DE70, 16 bytes long.
Data: <p X > 70 04 9D 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CA51E6DFB0, 16 bytes long.
Data: < X > 18 C0 9B 58 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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