Task 38612623
| Name | hif2a_A20_A33_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a-5-6-RND8502_2 |
| Workunit | 31565147 |
| Created | 16 Apr 2026, 9:37:52 UTC |
| Sent | 16 Apr 2026, 9:38:01 UTC |
| Report deadline | 21 Apr 2026, 9:38:01 UTC |
| Received | 16 Apr 2026, 16:46:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642395 |
| Run time | 3 hours 38 min 10 sec |
| CPU time | 3 hours 38 min 10 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,189.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 472.39 MB |
| Peak swap size | 6.40 GB |
| Peak disk usage | 4.19 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:46:05 (23676): wrapper (7.9.26016): starting
11:46:05 (23676): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A33_0.pdb
QB_A20_A33_0.xml
QB_A20_A33.inpcrd
QB_A20_A33_input.yaml
QB_A20_A33.pdb
QB_A20_A33.prmtop
QB_A20_A33_sys.xml
run.bat
run.sh
11:46:06 (23676): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:46:06 (23676): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849367} normal block at 0x000001D74A6ED8E0, 8 bytes long.
Data: < YJ > 00 00 59 4A D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3847811} normal block at 0x000001D74A7CC020, 1080 bytes long.
Data: < > A0 0E 00 00 CD CD CD CD 9C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D74A6E14B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:05:43 (8028): wrapper (7.9.26016): starting
12:05:43 (8028): 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\0\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850199} normal block at 0x000001870822D930, 8 bytes long.
Data: < > 00 00 20 08 87 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848643} normal block at 0x0000018709E95730, 1080 bytes long.
Data: < @ > F0 40 00 00 CD CD CD CD A4 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000018708220BF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:27:16 (28800): wrapper (7.9.26016): starting
12:27:16 (28800): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850199} normal block at 0x000001651DB3D890, 8 bytes long.
Data: < e > 00 00 B1 1D 65 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848643} normal block at 0x000001651F9B5730, 1080 bytes long.
Data: < [ P > C0 5B 00 00 CD CD CD CD 50 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001651DB31730, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:32:17 (4164): wrapper (7.9.26016): starting
12:32:17 (4164): 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\0\tmp already exists.
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Running command pip subprocess to install build dependencies
Using pip 24.3.1 from C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/9d/76/f789f7a86709c6b087c5a2f52f911838cad707cc613162401badc665acfe/setuptools-82.0.1-py3-none-any.whl.metadata
Downloading setuptools-82.0.1-py3-none-any.whl.metadata (6.5 kB)
Collecting setuptools-scm>=8
Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/5c/e1/342c4434df56aa537f6ce7647eefee521d96fbb828b08acd709865767652/setuptools_scm-10.0.5-py3-none-any.whl.metadata
Downloading setuptools_scm-10.0.5-py3-none-any.whl.metadata (6.5 kB)
Collecting vcs-versioning>=1.0.0.dev0 (from setuptools-scm>=8)
Obtaining dependency information for vcs-versioning>=1.0.0.dev0 from https://files.pythonhosted.org/packages/e6/60/73603fbcdbe5e803855bcce4414f94eaeed449083bd8183e67161af78188/vcs_versioning-1.1.1-py3-none-any.whl.metadata
Downloading vcs_versioning-1.1.1-py3-none-any.whl.metadata (1.6 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/7a/c2/920ef838e2f0028c8262f16101ec09ebd5969864e5a64c4c05fad0617c56/packaging-26.1-py3-none-any.whl.metadata
Downloading packaging-26.1-py3-none-any.whl.metadata (3.5 kB)
Downloading setuptools-82.0.1-py3-none-any.whl (1.0 MB)
---------------------------------------- 1.0/1.0 MB 24.0 MB/s eta 0:00:00
Downloading setuptools_scm-10.0.5-py3-none-any.whl (21 kB)
Downloading packaging-26.1-py3-none-any.whl (95 kB)
Downloading vcs_versioning-1.1.1-py3-none-any.whl (79 kB)
Installing collected packages: setuptools, packaging, vcs-versioning, setuptools-scm
Creating C:\ProgramData\BOINC\slots\0\pip-build-env-wxx9imtl\overlay\Scripts
Successfully installed packaging-26.1 setuptools-82.0.1 setuptools-scm-10.0.5 vcs-versioning-1.1.1
Running command Getting requirements to build wheel
C:\ProgramData\BOINC\slots\0\pip-build-env-wxx9imtl\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:151: UserWarning: version of None already set
warnings.warn(f"version of {self.dist_name} already set")
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
C:\ProgramData\BOINC\slots\0\pip-build-env-wxx9imtl\overlay\Lib\site-packages\vcs_versioning\overrides.py:609: UserWarning: No GlobalOverrides context is active. Auto-creating one with SETUPTOOLS_SCM prefix for backwards compatibility. Consider using 'with GlobalOverrides.from_env("YOUR_TOOL"):' explicitly.
return get_active_overrides().subprocess_timeout
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\0\pip-build-env-wxx9imtl\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:151: UserWarning: version of None already set
warnings.warn(f"version of {self.dist_name} already set")
running dist_info
creating C:\ProgramData\BOINC\slots\0\pip-modern-metadata-617l33a_\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\0\pip-modern-metadata-617l33a_\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-617l33a_\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-617l33a_\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-617l33a_\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-617l33a_\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-617l33a_\atom_openmm.egg-info\SOURCES.txt'
C:\ProgramData\BOINC\slots\0\pip-build-env-wxx9imtl\overlay\Lib\site-packages\vcs_versioning\overrides.py:609: UserWarning: No GlobalOverrides context is active. Auto-creating one with SETUPTOOLS_SCM prefix for backwards compatibility. Consider using 'with GlobalOverrides.from_env("YOUR_TOOL"):' explicitly.
return get_active_overrides().subprocess_timeout
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-617l33a_\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-617l33a_\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-617l33a_\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\0\pip-build-env-wxx9imtl\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:151: UserWarning: version of None already set
warnings.warn(f"version of {self.dist_name} already set")
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
C:\ProgramData\BOINC\slots\0\pip-build-env-wxx9imtl\overlay\Lib\site-packages\vcs_versioning\overrides.py:609: UserWarning: No GlobalOverrides context is active. Auto-creating one with SETUPTOOLS_SCM prefix for backwards compatibility. Consider using 'with GlobalOverrides.from_env("YOUR_TOOL"):' explicitly.
return get_active_overrides().subprocess_timeout
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\\0\\pip-wheel-tsnzlgvh\\.tmp-c4_t5d44\\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\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850199} normal block at 0x000002191308DB60, 8 bytes long.
Data: < > 00 00 96 14 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848643} normal block at 0x0000021914C654A0, 1080 bytes long.
Data: <ls > 6C 73 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021913080AF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:19:17 (8700): wrapper (7.9.26016): starting
13:19:17 (8700): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850199} normal block at 0x00000225833CE610, 8 bytes long.
Data: < 9 % > 00 00 39 83 25 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848643} normal block at 0x00000225833BDE60, 1080 bytes long.
Data: < f > 1C 66 00 00 CD CD CD CD 0C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000225833C1690, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:24:59 (4308): wrapper (7.9.26016): starting
13:24:59 (4308): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850199} normal block at 0x0000026B4C9CD9A0, 8 bytes long.
Data: < Lk > 00 00 9A 4C 6B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848643} normal block at 0x0000026B4C9BDE60, 1080 bytes long.
Data: < v > 00 76 00 00 CD CD CD CD D4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000026B4C9C18D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:35:47 (5980): wrapper (7.9.26016): starting
15:35:47 (5980): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850199} normal block at 0x0000023B1036E2F0, 8 bytes long.
Data: < } ; > 00 00 7D 10 3B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848643} normal block at 0x0000023B1044EA90, 1080 bytes long.
Data: <4O > 34 4F 00 00 CD CD CD CD 18 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000023B10361910, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:45:24 (31080): wrapper (7.9.26016): starting
15:45:24 (31080): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850199} normal block at 0x00000291DBD2E620, 8 bytes long.
Data: < > 00 00 0A DC 91 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848643} normal block at 0x00000291DBD1DE60, 1080 bytes long.
Data: <$~ > 24 7E 00 00 CD CD CD CD A8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000291DBD20D90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:50:30 (25136): wrapper (7.9.26016): starting
15:50:31 (25136): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850199} normal block at 0x0000017F7CCBDE90, 8 bytes long.
Data: < } > 00 00 16 7D 7F 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848643} normal block at 0x0000017F7E82E740, 1080 bytes long.
Data: < > 04 82 00 00 CD CD CD CD 18 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000017F7CCB18C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:03:26 (33124): wrapper (7.9.26016): starting
16:03:26 (33124): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3850199} normal block at 0x0000022E5C76E270, 8 bytes long.
Data: < \. > 00 00 B0 5C 2E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848643} normal block at 0x0000022E5E3CA280, 1080 bytes long.
Data: <Hi , > 48 69 00 00 CD CD CD CD 2C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022E5C7625C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:08:31 (13328): wrapper (7.9.26016): starting
16:08:31 (13328): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
18:45:40 (13328): C:/Windows/system32/cmd.exe exited; CPU time 9722.640625
18:45:40 (13328): 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: 170836840 bytes.
Dumping objects ->
{3850287} normal block at 0x0000025D7DE7E040, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850276} normal block at 0x0000025D7DE7D8D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850265} normal block at 0x0000025D7DE7D940, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3850254} normal block at 0x0000025D7DE7E580, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850243} normal block at 0x0000025D7C2D54D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3850212} normal block at 0x0000025D7DEC5630, 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) : {3850199} normal block at 0x0000025D7C2CDCC0, 8 bytes long.
Data: < *|] > 00 00 2A 7C 5D 02 00 00
{3848644} normal block at 0x0000025D7C2CDD10, 8 bytes long.
Data: <`Þ+|] > 60 DE 2B 7C 5D 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025D7C2C0B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025D7C2C27D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000025D7C2D6760, 16 bytes long.
Data: <xr-|] > 78 72 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025D7C2D63A0, 16 bytes long.
Data: <Pr-|] > 50 72 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025D7C2D05C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000025D7C2D6BC0, 16 bytes long.
Data: <(r-|] > 28 72 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025D7C2D6580, 16 bytes long.
Data: < r-|] > 00 72 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025D7C2D6E40, 16 bytes long.
Data: <Øq-|] > D8 71 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025D7C2D6620, 16 bytes long.
Data: <°q-|] > B0 71 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025D7C2D5540, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000025D7C2D6350, 16 bytes long.
Data: <Ø ,|] > D8 00 2C 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025D7C2CFCC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000025D7C2D5FE0, 16 bytes long.
Data: <° ,|] > B0 00 2C 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025D7C2D68A0, 16 bytes long.
Data: < ,|] > 88 00 2C 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025D7C2D6B20, 16 bytes long.
Data: <` ,|] > 60 00 2C 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025D7C2D6C60, 16 bytes long.
Data: <8 ,|] > 38 00 2C 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025D7C2D6260, 16 bytes long.
Data: < ,|] > 10 00 2C 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025D7C2D61C0, 16 bytes long.
Data: <èÿ+|] > E8 FF 2B 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025D7C2D0560, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000025D7C2D6DA0, 16 bytes long.
Data: <Àÿ+|] > C0 FF 2B 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025D7C2BFFC0, 320 bytes long.
Data: < m-|] ` -|] > A0 6D 2D 7C 5D 02 00 00 60 05 2D 7C 5D 02 00 00
{276} normal block at 0x0000025D7C2D62B0, 16 bytes long.
Data: < q-|] > 90 71 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025D7C2D6300, 16 bytes long.
Data: <hq-|] > 68 71 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025D7C2D0620, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000025D7C2D6EE0, 16 bytes long.
Data: <@q-|] > 40 71 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025D7C2CFC60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000025D7C2D6670, 16 bytes long.
Data: < p-|] > 88 70 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025D7C2D69E0, 16 bytes long.
Data: <`p-|] > 60 70 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025D7C2D6800, 16 bytes long.
Data: <8p-|] > 38 70 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025D7C2D6CB0, 16 bytes long.
Data: < p-|] > 10 70 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025D7C2D6170, 16 bytes long.
Data: <èo-|] > E8 6F 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025D7C2D5F90, 16 bytes long.
Data: <Ào-|] > C0 6F 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025D7C2D6850, 16 bytes long.
Data: < Z-|] > 10 5A 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025D7C2D5A10, 40 bytes long.
Data: <Ph-|] 0Vì}] > 50 68 2D 7C 5D 02 00 00 30 56 EC 7D 5D 02 00 00
{262} normal block at 0x0000025D7C2D6120, 16 bytes long.
Data: < o-|] > A0 6F 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025D7C2D60D0, 16 bytes long.
Data: <xo-|] > 78 6F 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025D7C2CFDE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000025D7C2D66C0, 16 bytes long.
Data: <Po-|] > 50 6F 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025D7C2D6F50, 992 bytes long.
Data: <Àf-|] àý,|] > C0 66 2D 7C 5D 02 00 00 E0 FD 2C 7C 5D 02 00 00
{94} normal block at 0x0000025D7C2CFA80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000025D7C2CD720, 16 bytes long.
Data: <àW-|] > E0 57 2D 7C 5D 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000025D7C2D57E0, 40 bytes long.
Data: < ×,|] ú,|] > 20 D7 2C 7C 5D 02 00 00 80 FA 2C 7C 5D 02 00 00
{71} normal block at 0x0000025D7C2CDA90, 16 bytes long.
Data: < ȩ̂÷ > 80 EA CC A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025D7C2CDE50, 16 bytes long.
Data: <@ȩ́÷ > 40 E9 CC A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025D7C2CDB80, 16 bytes long.
Data: <øWɧ÷ > F8 57 C9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025D7C2CDC70, 16 bytes long.
Data: <ØWɧ÷ > D8 57 C9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025D7C2CE440, 16 bytes long.
Data: <P ɧ÷ > 50 04 C9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025D7C2CDFE0, 16 bytes long.
Data: <0 ɧ÷ > 30 04 C9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025D7C2CDE00, 16 bytes long.
Data: <à ɧ÷ > E0 02 C9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025D7C2CDEF0, 16 bytes long.
Data: < ɧ÷ > 10 04 C9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025D7C2CD770, 16 bytes long.
Data: <p ɧ÷ > 70 04 C9 A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025D7C2CE210, 16 bytes long.
Data: < Àǧ÷ > 18 C0 C7 A7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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