Task 38611005
| Name | hif2a_A17_A16_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a-3-6-RND4588_2 |
| Workunit | 31563780 |
| Created | 15 Apr 2026, 15:01:19 UTC |
| Sent | 15 Apr 2026, 15:01:23 UTC |
| Report deadline | 20 Apr 2026, 15:01:23 UTC |
| Received | 16 Apr 2026, 19:28:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651951 |
| Run time | 1 hours 56 min 36 sec |
| CPU time | 1 hours 56 min 36 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 37,797.00 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 456.60 MB |
| Peak swap size | 3.57 GB |
| Peak disk usage | 2.91 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:03:05 (11372): wrapper (7.9.26016): starting
17:03:05 (11372): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A17_A16_0.pdb
QB_A17_A16_0.xml
QB_A17_A16.inpcrd
QB_A17_A16_input.yaml
QB_A17_A16.pdb
QB_A17_A16.prmtop
QB_A17_A16_sys.xml
run.bat
run.sh
17:03:06 (11372): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:03:06 (11372): 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\4\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\4\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 1.2 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\4\pip-build-env-1jmribcd\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\4\pip-build-env-1jmribcd\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\4\pip-build-env-1jmribcd\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\4\pip-build-env-1jmribcd\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\4\pip-modern-metadata-6xl5fd0k\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\4\pip-modern-metadata-6xl5fd0k\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\4\pip-modern-metadata-6xl5fd0k\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\4\pip-modern-metadata-6xl5fd0k\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\4\pip-modern-metadata-6xl5fd0k\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\4\pip-modern-metadata-6xl5fd0k\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\4\pip-modern-metadata-6xl5fd0k\atom_openmm.egg-info\SOURCES.txt'
C:\ProgramData\BOINC\slots\4\pip-build-env-1jmribcd\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\4\pip-modern-metadata-6xl5fd0k\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\4\pip-modern-metadata-6xl5fd0k\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\4\pip-modern-metadata-6xl5fd0k\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\4\pip-build-env-1jmribcd\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\4\pip-build-env-1jmribcd\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\\4\\pip-wheel-p6xl3i12\\.tmp-6p3yc9s_\\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\4\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) : {3835489} normal block at 0x00000223BE2AE5B0, 8 bytes long.
Data: < u # > 00 00 75 BE 23 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000223BFDAE770, 1080 bytes long.
Data: < ( > BC 28 00 00 CD CD CD CD 08 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000223BE2A68B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:31:14 (10480): wrapper (7.9.26016): starting
17:31:14 (10480): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000002E02F6E6320, 8 bytes long.
Data: < h/ > 00 00 68 2F E0 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002E02F6E71B0, 1080 bytes long.
Data: < i > DC 69 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:50:25 (13968): wrapper (7.9.26016): starting
17:50:25 (13968): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000002811EB86EF0, 8 bytes long.
Data: < > 00 00 B4 1E 81 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002811EB881E0, 1080 bytes long.
Data: < [ > C4 5B 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
19:39:03 (24448): wrapper (7.9.26016): starting
19:39:03 (24448): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000002AF891B7840, 8 bytes long.
Data: < e > 00 00 65 89 AF 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002AF891B85E0, 1080 bytes long.
Data: < X > 14 58 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:52:19 (13832): wrapper (7.9.26016): starting
20:52:19 (13832): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000001CFFE946560, 8 bytes long.
Data: < > 00 00 E0 FE CF 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001CFFE946DB0, 1080 bytes long.
Data: <X p > 58 08 00 00 CD CD CD CD 70 00 00 00 00 00 00 00
Object dump complete.
14:40:19 (6500): wrapper (7.9.26016): starting
14:40:19 (6500): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x0000027243167390, 8 bytes long.
Data: < yCr > 00 00 79 43 72 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000027243167DC0, 1080 bytes long.
Data: <pe > 70 65 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
14:55:36 (11660): wrapper (7.9.26016): starting
14:55:36 (11660): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x0000022FDCC26550, 8 bytes long.
Data: < / > 00 00 0A DD 2F 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000022FDCC271B0, 1080 bytes long.
Data: < f \ > AC 66 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
Object dump complete.
14:58:57 (23808): wrapper (7.9.26016): starting
14:58:57 (23808): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000001F777CD59D0, 8 bytes long.
Data: < w > 00 00 C8 77 F7 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F777CD6DB0, 1080 bytes long.
Data: < 2 > 14 32 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
16:22:05 (16096): wrapper (7.9.26016): starting
16:22:05 (16096): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000002B585836060, 8 bytes long.
Data: < > 00 00 B9 85 B5 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002B585836810, 1080 bytes long.
Data: < v > B8 76 00 00 CD CD CD CD B0 00 00 00 00 00 00 00
Object dump complete.
16:27:36 (27940): wrapper (7.9.26016): starting
16:27:36 (27940): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000001B0BFDC7320, 8 bytes long.
Data: < ( > 00 00 28 C0 B0 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001B0BFDC7FD0, 1080 bytes long.
Data: < 2 > C0 32 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
17:08:25 (32304): wrapper (7.9.26016): starting
17:08:25 (32304): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x00000157100560A0, 8 bytes long.
Data: < W > 00 00 02 10 57 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000157100571B0, 1080 bytes long.
Data: < > 88 06 00 00 CD CD CD CD 98 01 00 00 00 00 00 00
Object dump complete.
17:49:47 (31872): wrapper (7.9.26016): starting
17:49:47 (31872): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x0000012FD2856730, 8 bytes long.
Data: < / > 00 00 DF D2 2F 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000012FD28571B0, 1080 bytes long.
Data: <<9 > 3C 39 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:12:37 (16036): wrapper (7.9.26016): starting
18:12:37 (16036): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000001E41A016640, 8 bytes long.
Data: < H > 00 00 48 1A E4 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001E41A016D50, 1080 bytes long.
Data: <<Q > 3C 51 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
18:22:50 (24688): wrapper (7.9.26016): starting
18:22:50 (24688): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000001FE94E27F80, 8 bytes long.
Data: < + > 00 00 2B 95 FE 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001FE94E289B0, 1080 bytes long.
Data: < P > 18 50 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
19:03:13 (30960): wrapper (7.9.26016): starting
19:03:13 (30960): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000001F4597A8020, 8 bytes long.
Data: < Y > 00 00 C1 59 F4 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F4597A8A50, 1080 bytes long.
Data: <D6 > 44 36 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
19:14:06 (924): wrapper (7.9.26016): starting
19:14:06 (924): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x0000016257D778B0, 8 bytes long.
Data: < }Yb > 00 00 7D 59 62 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000016257D77D90, 1080 bytes long.
Data: <Dc > 44 63 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
19:18:04 (7248): wrapper (7.9.26016): starting
19:18:04 (7248): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x00000260866A6910, 8 bytes long.
Data: < ` > 00 00 07 88 60 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000260866A71B0, 1080 bytes long.
Data: < } > 0C 7D 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
19:20:21 (13540): wrapper (7.9.26016): starting
19:20:21 (13540): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x0000010E85FD60E0, 8 bytes long.
Data: < = > 00 00 3D 86 0E 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000010E85FD71A0, 1080 bytes long.
Data: < ~ > 18 7E 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
19:23:29 (2040): wrapper (7.9.26016): starting
19:23:29 (2040): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000001A6A7057990, 8 bytes long.
Data: < > 00 00 02 A7 A6 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001A6A7058000, 1080 bytes long.
Data: < P > 18 50 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
20:25:37 (17216): wrapper (7.9.26016): starting
20:25:37 (17216): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1835} normal block at 0x000002B92DB45F80, 8 bytes long.
Data: < E/ > 00 00 45 2F B9 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002B92DB46EB0, 1080 bytes long.
Data: < x > D0 78 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
20:32:13 (30780): wrapper (7.9.26016): starting
20:32:13 (30780): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
21:27:39 (30780): C:/Windows/system32/cmd.exe exited; CPU time 1506.125000
21:27:39 (30780): 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: 67953628 bytes.
Dumping objects ->
{1923} normal block at 0x0000021141BA4650, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1912} normal block at 0x0000021141BA47A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1901} normal block at 0x0000021141BA4490, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1890} normal block at 0x0000021141BA4420, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1879} normal block at 0x0000021141BA42D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1848} normal block at 0x0000021141B8F140, 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) : {1835} normal block at 0x0000021141BA6280, 8 bytes long.
Data: < A > 00 00 B7 41 11 02 00 00
{305} normal block at 0x0000021141BA6B90, 8 bytes long.
Data: < q A > B0 71 BA 41 11 02 00 00
{296} normal block at 0x0000021141B92510, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000021141BA5FB0, 16 bytes long.
Data: < p A > B8 70 BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021141BA5F60, 16 bytes long.
Data: < p A > 90 70 BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021141B9FAE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000021141BA5EC0, 16 bytes long.
Data: <hp A > 68 70 BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021141BA5E70, 16 bytes long.
Data: <@p A > 40 70 BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021141BA5E20, 16 bytes long.
Data: < p A > 18 70 BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021141BA6550, 16 bytes long.
Data: < o A > F0 6F BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021141BA45E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000021141BA67D0, 16 bytes long.
Data: <8 A > 38 0A B9 41 11 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021141BA0380, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000021141BA5DD0, 16 bytes long.
Data: < A > 10 0A B9 41 11 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021141BA6780, 16 bytes long.
Data: < A > E8 09 B9 41 11 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021141BA6690, 16 bytes long.
Data: < A > C0 09 B9 41 11 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021141BA6C80, 16 bytes long.
Data: < A > 98 09 B9 41 11 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021141BA6870, 16 bytes long.
Data: <p A > 70 09 B9 41 11 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021141BA6C30, 16 bytes long.
Data: <H A > 48 09 B9 41 11 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021141B9F840, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000021141BA61E0, 16 bytes long.
Data: < A > 20 09 B9 41 11 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021141B90920, 320 bytes long.
Data: < a A @ A > E0 61 BA 41 11 02 00 00 40 F8 B9 41 11 02 00 00
{275} normal block at 0x0000021141BA65A0, 16 bytes long.
Data: < o A > D0 6F BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021141BA6BE0, 16 bytes long.
Data: < o A > A8 6F BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021141B9FB40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000021141BA6A50, 16 bytes long.
Data: < o A > 80 6F BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021141B9FC60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000021141BA6A00, 16 bytes long.
Data: < n A > C8 6E BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021141BA6B40, 16 bytes long.
Data: < n A > A0 6E BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021141BA68C0, 16 bytes long.
Data: <xn A > 78 6E BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021141BA6910, 16 bytes long.
Data: <Pn A > 50 6E BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021141BA62D0, 16 bytes long.
Data: <(n A > 28 6E BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021141BA6730, 16 bytes long.
Data: < n A > 00 6E BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021141BA6640, 16 bytes long.
Data: <@C A > 40 43 BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021141BA4340, 40 bytes long.
Data: <@f A @ A > 40 66 BA 41 11 02 00 00 40 F1 B8 41 11 02 00 00
{261} normal block at 0x0000021141BA5F10, 16 bytes long.
Data: < m A > E0 6D BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021141BA6CD0, 16 bytes long.
Data: < m A > B8 6D BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021141B9FD80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000021141BA6D20, 16 bytes long.
Data: < m A > 90 6D BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000021141BA6D90, 992 bytes long.
Data: < m A A > 20 6D BA 41 11 02 00 00 80 FD B9 41 11 02 00 00
{93} normal block at 0x0000021141BA0440, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000021141B9D620, 16 bytes long.
Data: <`B A > 60 42 BA 41 11 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000021141BA4260, 40 bytes long.
Data: < A @ A > 20 D6 B9 41 11 02 00 00 40 04 BA 41 11 02 00 00
{70} normal block at 0x0000021141B9E070, 16 bytes long.
Data: < C > 80 EA 43 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021141B9E250, 16 bytes long.
Data: <@ C > 40 E9 43 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021141B9E340, 16 bytes long.
Data: < W@ > F8 57 40 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021141B9DC10, 16 bytes long.
Data: < W@ > D8 57 40 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021141B9DFD0, 16 bytes long.
Data: <P @ > 50 04 40 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021141B9E3E0, 16 bytes long.
Data: <0 @ > 30 04 40 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021141B9E2A0, 16 bytes long.
Data: < @ > E0 02 40 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021141B9E0C0, 16 bytes long.
Data: < @ > 10 04 40 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021141B9D4E0, 16 bytes long.
Data: <p @ > 70 04 40 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021141B9DEE0, 16 bytes long.
Data: < > > 18 C0 3E EE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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