| Name | BACE_A26_A08_r0_1-QUICO_ATM_GAFF2_NAGL_BACE-1-6-RND5518_2 |
| Workunit | 31554594 |
| Created | 8 Apr 2026, 21:56:26 UTC |
| Sent | 8 Apr 2026, 21:56:37 UTC |
| Report deadline | 13 Apr 2026, 21:56:37 UTC |
| Received | 11 Apr 2026, 17:58:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642288 |
| Run time | 9 hours 37 min 56 sec |
| CPU time | 7 hours 35 min 43 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,682.65 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 634.60 MB |
| Peak swap size | 5.32 GB |
| Peak disk usage | 3.05 GB |
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
23:03:53 (19068): wrapper (7.9.26016): starting
23:03:53 (19068): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A08_0.pdb
QB_A26_A08_0.xml
QB_A26_A08.inpcrd
QB_A26_A08_input.yaml
QB_A26_A08.pdb
QB_A26_A08.prmtop
QB_A26_A08_sys.xml
run.bat
run.sh
23:03:58 (19068): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:03:58 (19068): 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\1\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\1\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/b7/b9/c538f279a4e237a006a2c98387d081e9eb060d203d8ed34467cc0f0b9b53/packaging-26.0-py3-none-any.whl.metadata
Downloading packaging-26.0-py3-none-any.whl.metadata (3.3 kB)
Downloading setuptools-82.0.1-py3-none-any.whl (1.0 MB)
---------------------------------------- 1.0/1.0 MB 553.6 kB/s eta 0:00:00
Downloading setuptools_scm-10.0.5-py3-none-any.whl (21 kB)
Downloading packaging-26.0-py3-none-any.whl (74 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\1\pip-build-env-2fgbet_s\overlay\Scripts
Successfully installed packaging-26.0 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\1\pip-build-env-2fgbet_s\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\1\pip-build-env-2fgbet_s\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\1\pip-build-env-2fgbet_s\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\1\pip-modern-metadata-ibneyu2j\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ibneyu2j\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ibneyu2j\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ibneyu2j\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ibneyu2j\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ibneyu2j\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ibneyu2j\atom_openmm.egg-info\SOURCES.txt'
C:\ProgramData\BOINC\slots\1\pip-build-env-2fgbet_s\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\1\pip-modern-metadata-ibneyu2j\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ibneyu2j\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ibneyu2j\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\1\pip-build-env-2fgbet_s\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\1\pip-build-env-2fgbet_s\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\\1\\pip-wheel-1hy1y1o2\\.tmp-fv_p6eu7\\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\1\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) : {3835176} normal block at 0x00000287AF78F060, 8 bytes long.
Data: < > 00 00 C9 AF 87 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x00000287AF86E780, 1080 bytes long.
Data: <x5 > 78 35 00 00 CD CD CD CD FC 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000287AF784D80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:16:06 (19252): wrapper (7.9.26016): starting
23:16:06 (19252): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x000001E4045C6D70, 8 bytes long.
Data: < > 00 00 AD 04 E4 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001E4045C7F20, 1080 bytes long.
Data: < > 20 8E 00 00 CD CD CD CD C0 00 00 00 00 00 00 00
Object dump complete.
18:29:18 (34632): wrapper (7.9.26016): starting
18:29:18 (34632): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x0000011314E77770, 8 bytes long.
Data: < E > 00 00 45 15 13 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000011314E77ED0, 1080 bytes long.
Data: <, > 2C 9C 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
18:36:27 (4904): wrapper (7.9.26016): starting
18:36:27 (4904): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x000001AE05537370, 8 bytes long.
Data: < > 00 00 8C 05 AE 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001AE05537EE0, 1080 bytes long.
Data: < > E4 9C 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
Object dump complete.
18:58:40 (23580): wrapper (7.9.26016): starting
18:58:40 (23580): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x00000271C9AD7780, 8 bytes long.
Data: < q > 00 00 F7 C9 71 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000271C9AD7EE0, 1080 bytes long.
Data: <|h > 7C 68 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
19:40:30 (3684): wrapper (7.9.26016): starting
19:40:31 (3684): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x0000022FC5196BA0, 8 bytes long.
Data: < / > 00 00 13 C5 2F 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000022FC5197EE0, 1080 bytes long.
Data: < > F0 1F 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
20:23:58 (16408): wrapper (7.9.26016): starting
20:23:58 (16408): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x0000017993E87230, 8 bytes long.
Data: < 4 y > 00 00 34 94 79 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000017993E87EE0, 1080 bytes long.
Data: < = > F8 3D 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
20:34:56 (34852): wrapper (7.9.26016): starting
20:34:56 (34852): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x00000216C1A65650, 8 bytes long.
Data: < > 00 00 07 C2 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000216C1A66B30, 1080 bytes long.
Data: < d > C8 64 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
08:01:11 (24796): wrapper (7.9.26016): starting
08:01:11 (24796): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1521} normal block at 0x0000022563E66EB0, 8 bytes long.
Data: < c% > 00 00 E2 63 25 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000022563E67DE0, 1080 bytes long.
Data: < l > 80 6C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:19:33 (37140): wrapper (7.9.26016): starting
09:19:33 (37140): 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\1\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
18:57:28 (37140): C:/Windows/system32/cmd.exe exited; CPU time 27343.515625
18:57:28 (37140): 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: 718268640 bytes.
Dumping objects ->
{1609} normal block at 0x000001E3DF4C3160, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1598} normal block at 0x000001E3DF4C30F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1587} normal block at 0x000001E3DF4C2FA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1576} normal block at 0x000001E3DF4C2EC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1565} normal block at 0x000001E3DF4C2E50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1534} normal block at 0x000001E3DF4AFD90, 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) : {1521} normal block at 0x000001E3DF4C6F60, 8 bytes long.
Data: < D > 00 00 44 DF E3 01 00 00
{306} normal block at 0x000001E3DF4C6BA0, 8 bytes long.
Data: < ~L > E0 7E 4C DF E3 01 00 00
{297} normal block at 0x000001E3DF4B3210, 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 0x000001E3DF4C6F10, 16 bytes long.
Data: < }L > E8 7D 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E3DF4C7960, 16 bytes long.
Data: < }L > C0 7D 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E3DF4C1590, 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 0x000001E3DF4C7910, 16 bytes long.
Data: < }L > 98 7D 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E3DF4C6B50, 16 bytes long.
Data: <p}L > 70 7D 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E3DF4C7500, 16 bytes long.
Data: <H}L > 48 7D 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E3DF4C7280, 16 bytes long.
Data: < }L > 20 7D 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E3DF4C2D00, 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 0x000001E3DF4C78C0, 16 bytes long.
Data: <( K > 28 12 4B DF E3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E3DF4C10B0, 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 0x000001E3DF4C6B00, 16 bytes long.
Data: < K > 00 12 4B DF E3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E3DF4C7640, 16 bytes long.
Data: < K > D8 11 4B DF E3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E3DF4C6CE0, 16 bytes long.
Data: < K > B0 11 4B DF E3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E3DF4C72D0, 16 bytes long.
Data: < K > 88 11 4B DF E3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E3DF4C6EC0, 16 bytes long.
Data: <` K > 60 11 4B DF E3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E3DF4C7050, 16 bytes long.
Data: <8 K > 38 11 4B DF E3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E3DF4C14D0, 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 0x000001E3DF4C73C0, 16 bytes long.
Data: < K > 10 11 4B DF E3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E3DF4B1110, 320 bytes long.
Data: < sL L > C0 73 4C DF E3 01 00 00 D0 14 4C DF E3 01 00 00
{276} normal block at 0x000001E3DF4C71E0, 16 bytes long.
Data: < }L > 00 7D 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E3DF4C75A0, 16 bytes long.
Data: < |L > D8 7C 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E3DF4C1470, 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 0x000001E3DF4C7190, 16 bytes long.
Data: < |L > B0 7C 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E3DF4C0DB0, 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 0x000001E3DF4C7230, 16 bytes long.
Data: < {L > F8 7B 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E3DF4C6E70, 16 bytes long.
Data: < {L > D0 7B 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E3DF4C7870, 16 bytes long.
Data: < {L > A8 7B 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E3DF4C6E20, 16 bytes long.
Data: < {L > 80 7B 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E3DF4C7780, 16 bytes long.
Data: <X{L > 58 7B 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E3DF4C7690, 16 bytes long.
Data: <0{L > 30 7B 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E3DF4C7140, 16 bytes long.
Data: < 0L > 10 30 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E3DF4C3010, 40 bytes long.
Data: <@qL J > 40 71 4C DF E3 01 00 00 90 FD 4A DF E3 01 00 00
{262} normal block at 0x000001E3DF4C6DD0, 16 bytes long.
Data: < {L > 10 7B 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E3DF4C7820, 16 bytes long.
Data: < zL > E8 7A 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E3DF4C1050, 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 0x000001E3DF4C7A50, 16 bytes long.
Data: < zL > C0 7A 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E3DF4C7AC0, 992 bytes long.
Data: <PzL P L > 50 7A 4C DF E3 01 00 00 50 10 4C DF E3 01 00 00
{94} normal block at 0x000001E3DF4C0E10, 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 0x000001E3DF4BE8A0, 16 bytes long.
Data: < 0L > 80 30 4C DF E3 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001E3DF4C3080, 40 bytes long.
Data: < K L > A0 E8 4B DF E3 01 00 00 10 0E 4C DF E3 01 00 00
{71} normal block at 0x000001E3DF4BEAD0, 16 bytes long.
Data: < C" > 80 EA 43 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E3DF4BEFD0, 16 bytes long.
Data: <@ C" > 40 E9 43 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E3DF4BE670, 16 bytes long.
Data: < W@" > F8 57 40 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E3DF4BE850, 16 bytes long.
Data: < W@" > D8 57 40 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E3DF4BE350, 16 bytes long.
Data: <P @" > 50 04 40 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E3DF4BEEE0, 16 bytes long.
Data: <0 @" > 30 04 40 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E3DF4BEC60, 16 bytes long.
Data: < @" > E0 02 40 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E3DF4BE440, 16 bytes long.
Data: < @" > 10 04 40 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E3DF4BEBC0, 16 bytes long.
Data: <p @" > 70 04 40 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E3DF4BE710, 16 bytes long.
Data: < >" > 18 C0 3E 22 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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