| Name | MCL1_A28_A39_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-4-6-RND1139_1 |
| Workunit | 31556963 |
| Created | 10 Apr 2026, 4:00:48 UTC |
| Sent | 10 Apr 2026, 4:00:52 UTC |
| Report deadline | 15 Apr 2026, 4:00:52 UTC |
| Received | 12 Apr 2026, 4:08:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630663 |
| Run time | 8 hours 26 min 12 sec |
| CPU time | 7 hours 38 min 4 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,745.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 472.26 MB |
| Peak swap size | 6.52 GB |
| Peak disk usage | 4.17 GB |
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
13:07:23 (18712): wrapper (7.9.26016): starting
13:07:23 (18712): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A39_0.pdb
QB_A28_A39_0.xml
QB_A28_A39.inpcrd
QB_A28_A39_input.yaml
QB_A28_A39.pdb
QB_A28_A39.prmtop
QB_A28_A39_sys.xml
run.bat
run.sh
13:07:27 (18712): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:07:27 (18712): 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\17\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\17\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 9.5 MB/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\17\pip-build-env-6y8_iqtb\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\17\pip-build-env-6y8_iqtb\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\17\pip-build-env-6y8_iqtb\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\17\pip-build-env-6y8_iqtb\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\17\pip-modern-metadata-dienmxog\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\17\pip-modern-metadata-dienmxog\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\17\pip-modern-metadata-dienmxog\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\17\pip-modern-metadata-dienmxog\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\17\pip-modern-metadata-dienmxog\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\17\pip-modern-metadata-dienmxog\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\17\pip-modern-metadata-dienmxog\atom_openmm.egg-info\SOURCES.txt'
C:\ProgramData\BOINC\slots\17\pip-build-env-6y8_iqtb\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\17\pip-modern-metadata-dienmxog\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\17\pip-modern-metadata-dienmxog\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\17\pip-modern-metadata-dienmxog\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\17\pip-build-env-6y8_iqtb\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\17\pip-build-env-6y8_iqtb\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\\17\\pip-wheel-w4a96vq0\\.tmp-fpbm7m_w\\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\17\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) : {3848970} normal block at 0x000001F17166D1B0, 8 bytes long.
Data: < q > 00 00 B5 71 F1 01 00 00
..\lib\diagnostics_win.cpp(417) : {3847811} normal block at 0x000001F17165DA30, 1080 bytes long.
Data: < ! > C8 21 00 00 CD CD CD CD 8C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F171661F70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:21:25 (5128): wrapper (7.9.26016): starting
16:21:25 (5128): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x000002951B835AC0, 8 bytes long.
Data: < ~ > 00 00 7E 1B 95 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000002951B8362C0, 1080 bytes long.
Data: < H > 18 48 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
17:14:50 (17380): wrapper (7.9.26016): starting
17:14:50 (17380): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x00000254A3105C20, 8 bytes long.
Data: < I T > 00 00 49 A3 54 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x00000254A3107720, 1080 bytes long.
Data: <hN > 68 4E 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
17:26:03 (16184): wrapper (7.9.26016): starting
17:26:03 (16184): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x00000210D7145BA0, 8 bytes long.
Data: < ` > 00 00 60 D7 10 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x00000210D7146CA0, 1080 bytes long.
Data: < F > CC 46 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
18:32:52 (12148): wrapper (7.9.26016): starting
18:32:52 (12148): 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\17\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x000002764B885B00, 8 bytes long.
Data: < Kv > 00 00 D0 4B 76 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000002764B886CA0, 1080 bytes long.
Data: < > 0C 15 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
18:48:51 (10476): wrapper (7.9.26016): starting
18:48:51 (10476): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x0000015F6B2F5420, 8 bytes long.
Data: < mk_ > 00 00 6D 6B 5F 01 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000015F6B2F6CA0, 1080 bytes long.
Data: <0 > 30 12 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
19:00:59 (17220): wrapper (7.9.26016): starting
19:00:59 (17220): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x000001E9B6005FB0, 8 bytes long.
Data: < > 00 00 F9 B5 E9 01 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000001E9B6006CA0, 1080 bytes long.
Data: <$ > 24 20 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
22:35:59 (4452): wrapper (7.9.26016): starting
22:35:59 (4452): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x00000244730751C0, 8 bytes long.
Data: < XsD > 00 00 58 73 44 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000024473076CC0, 1080 bytes long.
Data: < ( > A4 28 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
03:51:46 (7872): wrapper (7.9.26016): starting
03:51:46 (7872): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x000001435CEC50E0, 8 bytes long.
Data: < (]C > 00 00 28 5D 43 01 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000001435CEC6810, 1080 bytes long.
Data: < : > A8 3A 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
04:47:58 (9180): wrapper (7.9.26016): starting
04:47:58 (9180): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x000001DE6D496200, 8 bytes long.
Data: < m > 00 00 93 6D DE 01 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000001DE6D497780, 1080 bytes long.
Data: < 0 > A0 30 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
07:45:31 (20052): wrapper (7.9.26016): starting
07:45:31 (20052): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x000001A503F65880, 8 bytes long.
Data: < > 00 00 8A 05 A5 01 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000001A503F66CA0, 1080 bytes long.
Data: <, > 2C 1D 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
10:18:29 (1436): wrapper (7.9.26016): starting
10:18:29 (1436): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x000001517C735330, 8 bytes long.
Data: < |Q > 00 00 B7 7C 51 01 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000001517C736CA0, 1080 bytes long.
Data: <`M > 60 4D 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
Object dump complete.
12:51:41 (15924): wrapper (7.9.26016): starting
12:51:41 (15924): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x00000253E8FA4EE0, 8 bytes long.
Data: < X S > 00 00 58 E9 53 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x00000253E8FA62C0, 1080 bytes long.
Data: <8L > 38 4C 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
15:51:29 (2504): wrapper (7.9.26016): starting
15:51:29 (2504): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x000001C961E15620, 8 bytes long.
Data: < ,b > 00 00 2C 62 C9 01 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x000001C961E16370, 1080 bytes long.
Data: <x@ > 78 40 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
20:43:39 (4080): wrapper (7.9.26016): starting
20:43:39 (4080): 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\17\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1461} normal block at 0x0000017B4A0E5C60, 8 bytes long.
Data: < MJ{ > 00 00 4D 4A 7B 01 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000017B4A0E6CC0, 1080 bytes long.
Data: < > DC 1B 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
21:55:39 (15528): wrapper (7.9.26016): starting
21:55:39 (15528): 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\17\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
00:06:50 (15528): C:/Windows/system32/cmd.exe exited; CPU time 7182.687500
00:06:50 (15528): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 107667263 bytes.
Dumping objects ->
{1549} normal block at 0x000001CD431F5BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1538} normal block at 0x000001CD431F5920, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1527} normal block at 0x000001CD431F5AE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1516} normal block at 0x000001CD431F5990, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1505} normal block at 0x000001CD431F5A70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1474} normal block at 0x000001CD431DF440, 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) : {1461} normal block at 0x000001CD431F4270, 8 bytes long.
Data: < C > 00 00 1C 43 CD 01 00 00
{303} normal block at 0x000001CD431F4450, 8 bytes long.
Data: < ` C > 00 60 1F 43 CD 01 00 00
{294} normal block at 0x000001CD431DCFA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001CD431F4400, 16 bytes long.
Data: < V C > F8 56 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CD431F4950, 16 bytes long.
Data: < V C > D0 56 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CD431F09A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001CD431F4900, 16 bytes long.
Data: < V C > A8 56 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CD431F49F0, 16 bytes long.
Data: < V C > 80 56 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CD431F48B0, 16 bytes long.
Data: <XV C > 58 56 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CD431F3EB0, 16 bytes long.
Data: <0V C > 30 56 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CD431F5840, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001CD431F4A40, 16 bytes long.
Data: < C > D8 07 1E 43 CD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CD431F0520, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001CD431F47C0, 16 bytes long.
Data: < C > B0 07 1E 43 CD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CD431F3E60, 16 bytes long.
Data: < C > 88 07 1E 43 CD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CD431F4770, 16 bytes long.
Data: <` C > 60 07 1E 43 CD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CD431F4860, 16 bytes long.
Data: <8 C > 38 07 1E 43 CD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CD431F4810, 16 bytes long.
Data: < C > 10 07 1E 43 CD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CD431F4DB0, 16 bytes long.
Data: < C > E8 06 1E 43 CD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CD431F0D60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001CD431F41D0, 16 bytes long.
Data: < C > C0 06 1E 43 CD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CD431E06C0, 320 bytes long.
Data: < A C ` C > D0 41 1F 43 CD 01 00 00 60 0D 1F 43 CD 01 00 00
{273} normal block at 0x000001CD431F3FF0, 16 bytes long.
Data: < V C > 10 56 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CD431F44F0, 16 bytes long.
Data: < U C > E8 55 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CD431F0FA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001CD431F4BD0, 16 bytes long.
Data: < U C > C0 55 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CD431F0EE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001CD431F42C0, 16 bytes long.
Data: < U C > 08 55 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CD431F4180, 16 bytes long.
Data: < T C > E0 54 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CD431F4040, 16 bytes long.
Data: < T C > B8 54 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CD431F46D0, 16 bytes long.
Data: < T C > 90 54 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CD431F4130, 16 bytes long.
Data: <hT C > 68 54 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CD431F4680, 16 bytes long.
Data: <@T C > 40 54 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CD431F4AE0, 16 bytes long.
Data: <` C > 60 E4 1D 43 CD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CD431DE460, 40 bytes long.
Data: < J C @ C > E0 4A 1F 43 CD 01 00 00 40 F4 1D 43 CD 01 00 00
{259} normal block at 0x000001CD431F43B0, 16 bytes long.
Data: < T C > 20 54 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CD431F4590, 16 bytes long.
Data: < S C > F8 53 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CD431F0B20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001CD431F40E0, 16 bytes long.
Data: < S C > D0 53 1F 43 CD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001CD431F53D0, 992 bytes long.
Data: < @ C C > E0 40 1F 43 CD 01 00 00 20 0B 1F 43 CD 01 00 00
{91} normal block at 0x000001CD431F0400, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001CD431ECAC0, 16 bytes long.
Data: < C > D0 F3 1D 43 CD 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001CD431DF3D0, 40 bytes long.
Data: < C C > C0 CA 1E 43 CD 01 00 00 00 04 1F 43 CD 01 00 00
{68} normal block at 0x000001CD431ED880, 16 bytes long.
Data: < > 80 EA A3 E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CD431ED1A0, 16 bytes long.
Data: <@ > 40 E9 A3 E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CD431ECD40, 16 bytes long.
Data: < W > F8 57 A0 E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CD431ECA20, 16 bytes long.
Data: < W > D8 57 A0 E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CD431ED970, 16 bytes long.
Data: <P > 50 04 A0 E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CD431ECC50, 16 bytes long.
Data: <0 > 30 04 A0 E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CD431ECFC0, 16 bytes long.
Data: < > E0 02 A0 E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CD431ED100, 16 bytes long.
Data: < > 10 04 A0 E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CD431ED4C0, 16 bytes long.
Data: <p > 70 04 A0 E3 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CD431ED740, 16 bytes long.
Data: < > 18 C0 9E E3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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