Task 38582919
| Name | PFKFB3_A37_A11_r0_3-QUICO_ATM_GAFF2_LOMAP_PFKFB3-2-5-RND1407_0 |
| Workunit | 31547148 |
| Created | 13 Dec 2025, 14:52:37 UTC |
| Sent | 13 Dec 2025, 14:52:45 UTC |
| Report deadline | 18 Dec 2025, 14:52:45 UTC |
| Received | 14 Dec 2025, 12:54:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646944 |
| Run time | 12 hours 4 min 33 sec |
| CPU time | 11 hours 41 min 9 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,335.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 759.43 MB |
| Peak swap size | 3.19 GB |
| Peak disk usage | 3.70 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
10:59:34 (28152): wrapper (7.9.26016): starting
10:59:34 (28152): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A37_A11_0.pdb
QB_A37_A11_0.xml
QB_A37_A11_equil.pdb
QB_A37_A11.inpcrd
QB_A37_A11_input.yaml
QB_A37_A11_mdlambda.pdb
QB_A37_A11_min.pdb
QB_A37_A11_npt.pdb
QB_A37_A11.pdb
QB_A37_A11.prmtop
QB_A37_A11_sys.xml
QB_A37_A11_therm.pdb
run.bat
run.sh
10:59:36 (28152): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:59:36 (28152): 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\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Running command pip subprocess to install build dependencies
Using pip 24.3.1 from C:\ProgramData\BOINC\slots\0\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
Downloading setuptools-80.9.0-py3-none-any.whl.metadata (6.6 kB)
Collecting setuptools-scm>=8
Obtaining dependency information for setuptools-scm>=8 from https://files.pythonhosted.org/packages/3d/ea/ac2bf868899d0d2e82ef72d350d97a846110c709bacf2d968431576ca915/setuptools_scm-9.2.2-py3-none-any.whl.metadata
Downloading setuptools_scm-9.2.2-py3-none-any.whl.metadata (7.7 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/20/12/38679034af332785aac8774540895e234f4d07f7545804097de4b666afd8/packaging-25.0-py3-none-any.whl.metadata
Downloading packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
Downloading setuptools-80.9.0-py3-none-any.whl (1.2 MB)
---------------------------------------- 1.2/1.2 MB 3.0 MB/s eta 0:00:00
Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
Downloading packaging-25.0-py3-none-any.whl (66 kB)
Installing collected packages: setuptools, packaging, setuptools-scm
Creating C:\ProgramData\BOINC\slots\0\pip-build-env-n09n2uhx\overlay\Scripts
Successfully installed packaging-25.0 setuptools-80.9.0 setuptools-scm-9.2.2
Running command Getting requirements to build wheel
C:\ProgramData\BOINC\slots\0\pip-build-env-n09n2uhx\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:51: UserWarning: version of None already set
warnings.warn(self.message)
running egg_info
writing atom_openmm.egg-info\PKG-INFO
writing dependency_links to atom_openmm.egg-info\dependency_links.txt
writing entry points to atom_openmm.egg-info\entry_points.txt
writing requirements to atom_openmm.egg-info\requires.txt
writing top-level names to atom_openmm.egg-info\top_level.txt
listing git files failed - pretending there aren't any
reading manifest file 'atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'atom_openmm.egg-info\SOURCES.txt'
Running command Preparing metadata (pyproject.toml)
C:\ProgramData\BOINC\slots\0\pip-build-env-n09n2uhx\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:51: UserWarning: version of None already set
warnings.warn(self.message)
running dist_info
creating C:\ProgramData\BOINC\slots\0\pip-modern-metadata-w6wc6e60\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\0\pip-modern-metadata-w6wc6e60\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-w6wc6e60\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-w6wc6e60\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-w6wc6e60\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-w6wc6e60\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-w6wc6e60\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-w6wc6e60\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-w6wc6e60\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-w6wc6e60\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\0\pip-build-env-n09n2uhx\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:51: UserWarning: version of None already set
warnings.warn(self.message)
running bdist_wheel
running build
running build_py
creating build\lib\atom_openmm
copying atom_openmm\abfe_explicit.py -> build\lib\atom_openmm
copying atom_openmm\abfe_production.py -> build\lib\atom_openmm
copying atom_openmm\abfe_structprep.py -> build\lib\atom_openmm
copying atom_openmm\async_re.py -> build\lib\atom_openmm
copying atom_openmm\gibbs_sampling.py -> build\lib\atom_openmm
copying atom_openmm\local_openmm_transport.py -> build\lib\atom_openmm
copying atom_openmm\make_atm_system_from_amber.py -> build\lib\atom_openmm
copying atom_openmm\make_atm_system_from_pdb.py -> build\lib\atom_openmm
copying atom_openmm\make_atm_system_from_rcpt_lig.py -> build\lib\atom_openmm
copying atom_openmm\ommreplica.py -> build\lib\atom_openmm
copying atom_openmm\ommsystem.py -> build\lib\atom_openmm
copying atom_openmm\ommworker.py -> build\lib\atom_openmm
copying atom_openmm\openmm_async_re.py -> build\lib\atom_openmm
copying atom_openmm\rbfe_explicit.py -> build\lib\atom_openmm
copying atom_openmm\rbfe_production.py -> build\lib\atom_openmm
copying atom_openmm\rbfe_structprep.py -> build\lib\atom_openmm
copying atom_openmm\temperatureRE_explicit.py -> build\lib\atom_openmm
copying atom_openmm\transport.py -> build\lib\atom_openmm
copying atom_openmm\uwham.py -> build\lib\atom_openmm
copying atom_openmm\__init__.py -> build\lib\atom_openmm
creating build\lib\atom_openmm\utils
copying atom_openmm\utils\AtomUtils.py -> build\lib\atom_openmm\utils
copying atom_openmm\utils\config.py -> build\lib\atom_openmm\utils
copying atom_openmm\utils\singal_guard.py -> build\lib\atom_openmm\utils
copying atom_openmm\utils\timer.py -> build\lib\atom_openmm\utils
copying atom_openmm\utils\__init__.py -> build\lib\atom_openmm\utils
running egg_info
writing atom_openmm.egg-info\PKG-INFO
writing dependency_links to atom_openmm.egg-info\dependency_links.txt
writing entry points to atom_openmm.egg-info\entry_points.txt
writing requirements to atom_openmm.egg-info\requires.txt
writing top-level names to atom_openmm.egg-info\top_level.txt
listing git files failed - pretending there aren't any
reading manifest file 'atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'atom_openmm.egg-info\SOURCES.txt'
copying atom_openmm\utils\logging.conf -> build\lib\atom_openmm\utils
installing to build\bdist.win-amd64\wheel
running install
running install_lib
creating build\bdist.win-amd64\wheel
creating build\bdist.win-amd64\wheel\atom_openmm
copying build\lib\atom_openmm\abfe_explicit.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\abfe_production.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\abfe_structprep.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\async_re.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\gibbs_sampling.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\local_openmm_transport.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\make_atm_system_from_amber.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\make_atm_system_from_pdb.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\make_atm_system_from_rcpt_lig.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\ommreplica.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\ommsystem.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\ommworker.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\openmm_async_re.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\rbfe_explicit.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\rbfe_production.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\rbfe_structprep.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\temperatureRE_explicit.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\transport.py -> build\bdist.win-amd64\wheel\.\atom_openmm
creating build\bdist.win-amd64\wheel\atom_openmm\utils
copying build\lib\atom_openmm\utils\AtomUtils.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\utils\config.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\utils\logging.conf -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\utils\singal_guard.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\utils\timer.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\utils\__init__.py -> build\bdist.win-amd64\wheel\.\atom_openmm\utils
copying build\lib\atom_openmm\uwham.py -> build\bdist.win-amd64\wheel\.\atom_openmm
copying build\lib\atom_openmm\__init__.py -> build\bdist.win-amd64\wheel\.\atom_openmm
running install_egg_info
Copying atom_openmm.egg-info to build\bdist.win-amd64\wheel\.\atom_openmm-8.4.0-py3.11.egg-info
running install_scripts
creating build\bdist.win-amd64\wheel\atom_openmm-8.4.0.dist-info\WHEEL
creating 'C:\ProgramData\BOINC\slots\0\pip-wheel-1lfm1_dw\.tmp-gdii3bjr\atom_openmm-8.4.0-py3-none-any.whl' and adding 'build\bdist.win-amd64\wheel' to it
adding 'atom_openmm/__init__.py'
adding 'atom_openmm/abfe_explicit.py'
adding 'atom_openmm/abfe_production.py'
adding 'atom_openmm/abfe_structprep.py'
adding 'atom_openmm/async_re.py'
adding 'atom_openmm/gibbs_sampling.py'
adding 'atom_openmm/local_openmm_transport.py'
adding 'atom_openmm/make_atm_system_from_amber.py'
adding 'atom_openmm/make_atm_system_from_pdb.py'
adding 'atom_openmm/make_atm_system_from_rcpt_lig.py'
adding 'atom_openmm/ommreplica.py'
adding 'atom_openmm/ommsystem.py'
adding 'atom_openmm/ommworker.py'
adding 'atom_openmm/openmm_async_re.py'
adding 'atom_openmm/rbfe_explicit.py'
adding 'atom_openmm/rbfe_production.py'
adding 'atom_openmm/rbfe_structprep.py'
adding 'atom_openmm/temperatureRE_explicit.py'
adding 'atom_openmm/transport.py'
adding 'atom_openmm/uwham.py'
adding 'atom_openmm/utils/AtomUtils.py'
adding 'atom_openmm/utils/__init__.py'
adding 'atom_openmm/utils/config.py'
adding 'atom_openmm/utils/logging.conf'
adding 'atom_openmm/utils/singal_guard.py'
adding 'atom_openmm/utils/timer.py'
adding 'atom_openmm-8.4.0.dist-info/licenses/LICENSE'
adding 'atom_openmm-8.4.0.dist-info/METADATA'
adding 'atom_openmm-8.4.0.dist-info/WHEEL'
adding 'atom_openmm-8.4.0.dist-info/entry_points.txt'
adding 'atom_openmm-8.4.0.dist-info/top_level.txt'
adding 'atom_openmm-8.4.0.dist-info/RECORD'
removing build\bdist.win-amd64\wheel
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835096} normal block at 0x000001DCD546DDA0, 8 bytes long.
Data: < > 00 00 18 D7 DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000001DCD7080AD0, 1080 bytes long.
Data: < M > D8 4D 00 00 CD CD CD CD C8 00 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001DCD54659A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:59:27 (36976): wrapper (7.9.26016): starting
13:59:27 (36976): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000001EF95FD4BA0, 8 bytes long.
Data: < 0 > 00 00 30 96 EF 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001EF95FD5D50, 1080 bytes long.
Data: < W > F0 57 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
14:04:39 (21036): wrapper (7.9.26016): starting
14:04:39 (21036): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000002379C865130, 8 bytes long.
Data: < 7 > 00 00 B8 9C 37 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002379C865F60, 1080 bytes long.
Data: < > 10 8F 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
14:52:53 (19424): wrapper (7.9.26016): starting
14:52:53 (19424): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x0000020AE47F5FB0, 8 bytes long.
Data: < > 00 00 CD E4 0A 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000020AE47F6B70, 1080 bytes long.
Data: <d{ > 64 7B 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
14:58:05 (35232): wrapper (7.9.26016): starting
14:58:05 (35232): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000002A749584CF0, 8 bytes long.
Data: < I > 00 00 9D 49 A7 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002A749585E50, 1080 bytes long.
Data: < > D0 82 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
15:04:35 (36696): wrapper (7.9.26016): starting
15:04:35 (36696): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000001FC417E6370, 8 bytes long.
Data: < A > 00 00 B1 41 FC 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001FC417E6DF0, 1080 bytes long.
Data: < > 9C 81 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:09:46 (13460): wrapper (7.9.26016): starting
15:09:46 (13460): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000001A7D6734BF0, 8 bytes long.
Data: < > 00 00 18 D8 A7 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001A7D6735D50, 1080 bytes long.
Data: <hj > 68 6A 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:14:50 (6620): wrapper (7.9.26016): starting
17:14:50 (6620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x0000026D6C654D80, 8 bytes long.
Data: < mm > 00 00 F7 6D 6D 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000026D6C655D50, 1080 bytes long.
Data: <\I > 5C 49 00 00 CD CD CD CD BC 00 00 00 00 00 00 00
Object dump complete.
17:20:15 (37476): wrapper (7.9.26016): starting
17:20:15 (37476): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x00000236660250F0, 8 bytes long.
Data: < e6 > 00 00 FD 65 36 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000023666025B20, 1080 bytes long.
Data: <@m > 40 6D 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:41:51 (35692): wrapper (7.9.26016): starting
17:41:51 (35692): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000002375C5F5790, 8 bytes long.
Data: < ^7 > 00 00 02 5E 37 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002375C5F5E50, 1080 bytes long.
Data: <pS > 70 53 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
17:45:08 (33628): wrapper (7.9.26016): starting
17:45:08 (33628): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x0000022A96D251E0, 8 bytes long.
Data: < * > 00 00 CB 96 2A 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000022A96D25D50, 1080 bytes long.
Data: <0f > 30 66 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
18:52:35 (616): wrapper (7.9.26016): starting
18:52:35 (616): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x0000020EBD944E70, 8 bytes long.
Data: < > 00 00 D8 BD 0E 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000020EBD945D50, 1080 bytes long.
Data: < > 0C 02 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
19:19:05 (29216): wrapper (7.9.26016): starting
19:19:05 (29216): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000002DE26845EF0, 8 bytes long.
Data: < & > 00 00 80 26 DE 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002DE26846740, 1080 bytes long.
Data: <\c > 5C 63 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
19:43:41 (25696): wrapper (7.9.26016): starting
19:43:41 (25696): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000002892C914B00, 8 bytes long.
Data: < , > 00 00 CD 2C 89 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002892C915D50, 1080 bytes long.
Data: <|} t > 7C 7D 00 00 CD CD CD CD 74 00 00 00 00 00 00 00
Object dump complete.
20:26:00 (5412): wrapper (7.9.26016): starting
20:26:00 (5412): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x00000209E6964D80, 8 bytes long.
Data: < > 00 00 E2 E6 09 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x00000209E6965D50, 1080 bytes long.
Data: < > 20 92 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:31:13 (31900): wrapper (7.9.26016): starting
20:31:13 (31900): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000001B4D8195000, 8 bytes long.
Data: < > 00 00 15 D8 B4 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001B4D8195D50, 1080 bytes long.
Data: < i > 1C 69 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:34:44 (2564): wrapper (7.9.26016): starting
20:34:44 (2564): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000002BE340255F0, 8 bytes long.
Data: < 3 > 00 00 FF 33 BE 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002BE34025D50, 1080 bytes long.
Data: < O > A0 4F 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
23:29:07 (5140): wrapper (7.9.26016): starting
23:29:07 (5140): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000001FB4E085280, 8 bytes long.
Data: < JN > 00 00 4A 4E FB 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001FB4E085D50, 1080 bytes long.
Data: <h > 68 85 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
01:18:24 (27840): wrapper (7.9.26016): starting
01:18:24 (27840): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x0000025D40DD4A10, 8 bytes long.
Data: < @] > 00 00 DA 40 5D 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000025D40DD5D50, 1080 bytes long.
Data: <, > 2C 15 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
03:38:37 (27168): wrapper (7.9.26016): starting
03:38:37 (27168): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000002367ED34C90, 8 bytes long.
Data: < 6 > 00 00 09 7F 36 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000002367ED35D50, 1080 bytes long.
Data: <D > 44 89 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
06:57:59 (34328): wrapper (7.9.26016): starting
06:57:59 (34328): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000001FF6C895530, 8 bytes long.
Data: < l > 00 00 B7 6C FF 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001FF6C895AB0, 1080 bytes long.
Data: < > 94 0D 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
07:31:28 (35340): wrapper (7.9.26016): starting
07:31:28 (35340): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x000001D3B0914C90, 8 bytes long.
Data: < > 00 00 8C B0 D3 01 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x000001D3B0915D50, 1080 bytes long.
Data: < > A4 8A 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
07:35:33 (37628): wrapper (7.9.26016): starting
07:35:33 (37628): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1449} normal block at 0x00000235D15D4E70, 8 bytes long.
Data: < 5 > 00 00 90 D1 35 02 00 00
..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x00000235D15D5D50, 1080 bytes long.
Data: <0M > 30 4D 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
07:40:45 (28492): wrapper (7.9.26016): starting
07:40:45 (28492): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
07:48:52 (28492): C:/Windows/system32/cmd.exe exited; CPU time 373.562500
07:48:52 (28492): 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: 9404766 bytes.
Dumping objects ->
{1537} normal block at 0x0000026C6C053F90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1526} normal block at 0x0000026C6C0543F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1515} normal block at 0x0000026C6C053EB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1504} normal block at 0x0000026C6C0541C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1493} normal block at 0x0000026C6C0540E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1462} normal block at 0x0000026C6C03F2E0, 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) : {1449} normal block at 0x0000026C6C054A10, 8 bytes long.
Data: < all > 00 00 61 6C 6C 02 00 00
{298} normal block at 0x0000026C6C054C40, 8 bytes long.
Data: <P] ll > 50 5D 05 6C 6C 02 00 00
{289} normal block at 0x0000026C6C0419E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000026C6C055640, 16 bytes long.
Data: <X\ ll > 58 5C 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026C6C055370, 16 bytes long.
Data: <0\ ll > 30 5C 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026C6C051630, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000026C6C055320, 16 bytes long.
Data: < \ ll > 08 5C 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026C6C0558C0, 16 bytes long.
Data: < [ ll > E0 5B 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026C6C0556E0, 16 bytes long.
Data: < [ ll > B8 5B 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026C6C055050, 16 bytes long.
Data: < [ ll > 90 5B 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026C6C054150, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000026C6C0549C0, 16 bytes long.
Data: <x ll > 78 07 04 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026C6C051030, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000026C6C054DD0, 16 bytes long.
Data: <P ll > 50 07 04 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026C6C055780, 16 bytes long.
Data: <( ll > 28 07 04 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026C6C054D80, 16 bytes long.
Data: < ll > 00 07 04 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026C6C055690, 16 bytes long.
Data: < ll > D8 06 04 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026C6C055000, 16 bytes long.
Data: < ll > B0 06 04 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026C6C055280, 16 bytes long.
Data: < ll > 88 06 04 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026C6C0510F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000026C6C055410, 16 bytes long.
Data: <` ll > 60 06 04 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026C6C040660, 320 bytes long.
Data: < T ll ll > 10 54 05 6C 6C 02 00 00 F0 10 05 6C 6C 02 00 00
{268} normal block at 0x0000026C6C055500, 16 bytes long.
Data: <p[ ll > 70 5B 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026C6C0552D0, 16 bytes long.
Data: <H[ ll > 48 5B 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026C6C050CD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000026C6C0555F0, 16 bytes long.
Data: < [ ll > 20 5B 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026C6C0517B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000026C6C054EC0, 16 bytes long.
Data: <hZ ll > 68 5A 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026C6C054970, 16 bytes long.
Data: <@Z ll > 40 5A 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026C6C0550F0, 16 bytes long.
Data: < Z ll > 18 5A 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026C6C0555A0, 16 bytes long.
Data: < Y ll > F0 59 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026C6C054C90, 16 bytes long.
Data: < Y ll > C8 59 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026C6C054F60, 16 bytes long.
Data: < Y ll > A0 59 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026C6C055550, 16 bytes long.
Data: < @ ll > 00 40 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000026C6C054000, 40 bytes long.
Data: <PU ll ll > 50 55 05 6C 6C 02 00 00 E0 F2 03 6C 6C 02 00 00
{254} normal block at 0x0000026C6C055230, 16 bytes long.
Data: < Y ll > 80 59 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000026C6C054D30, 16 bytes long.
Data: <XY ll > 58 59 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000026C6C051AB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000026C6C054E20, 16 bytes long.
Data: <0Y ll > 30 59 05 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000026C6C055930, 992 bytes long.
Data: < N ll ll > 20 4E 05 6C 6C 02 00 00 B0 1A 05 6C 6C 02 00 00
{86} normal block at 0x0000026C6C050FD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000026C6C04D3F0, 16 bytes long.
Data: < ll > B0 FE 03 6C 6C 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000026C6C03FEB0, 40 bytes long.
Data: < ll ll > F0 D3 04 6C 6C 02 00 00 D0 0F 05 6C 6C 02 00 00
{63} normal block at 0x0000026C6C04D1C0, 16 bytes long.
Data: < * > 80 EA DB 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026C6C04DD50, 16 bytes long.
Data: <@ * > 40 E9 DB 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026C6C04DD00, 16 bytes long.
Data: < W * > F8 57 D8 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026C6C04DA30, 16 bytes long.
Data: < W * > D8 57 D8 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026C6C04DDA0, 16 bytes long.
Data: <P * > 50 04 D8 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026C6C04DB20, 16 bytes long.
Data: <0 * > 30 04 D8 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000026C6C04D670, 16 bytes long.
Data: < * > E0 02 D8 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000026C6C04D4E0, 16 bytes long.
Data: < * > 10 04 D8 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000026C6C04D300, 16 bytes long.
Data: <p * > 70 04 D8 2A F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000026C6C04DB70, 16 bytes long.
Data: < * > 18 C0 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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