Task 38583281
| Name | JNK1_A20_A05_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-3-5-RND7817_1 |
| Workunit | 31547414 |
| Created | 14 Dec 2025, 0:23:31 UTC |
| Sent | 14 Dec 2025, 0:23:34 UTC |
| Report deadline | 19 Dec 2025, 0:23:34 UTC |
| Received | 17 Dec 2025, 21:13:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643002 |
| Run time | 5 hours 39 min 59 sec |
| CPU time | 5 hours 33 min 31 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 19,179.44 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 668.20 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 3.76 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:00:50 (38336): wrapper (7.9.26016): starting
09:00:50 (38336): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A05_0.pdb
QB_A20_A05_0.xml
QB_A20_A05_equil.pdb
QB_A20_A05.inpcrd
QB_A20_A05_input.yaml
QB_A20_A05_mdlambda.pdb
QB_A20_A05_min.pdb
QB_A20_A05_npt.pdb
QB_A20_A05_out_merged_nowater.pdb
QB_A20_A05.pdb
QB_A20_A05.prmtop
QB_A20_A05_sys.xml
QB_A20_A05_therm.pdb
run.bat
run.sh
09:01:13 (38336): Library/usr/bin/tar.exe exited; CPU time 0.078125
09:01:13 (38336): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Running command pip subprocess to install build dependencies
Using pip 24.3.1 from C:\ProgramData\BOINC\slots\1\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
Using cached 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
Using cached packaging-25.0-py3-none-any.whl.metadata (3.3 kB)
Using cached setuptools-80.9.0-py3-none-any.whl (1.2 MB)
Downloading setuptools_scm-9.2.2-py3-none-any.whl (62 kB)
Using cached packaging-25.0-py3-none-any.whl (66 kB)
Installing collected packages: setuptools, packaging, setuptools-scm
Creating C:\ProgramData\BOINC\slots\1\pip-build-env-96n94gmb\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\1\pip-build-env-96n94gmb\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\1\pip-build-env-96n94gmb\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\1\pip-modern-metadata-q1vmrfvh\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\1\pip-modern-metadata-q1vmrfvh\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-q1vmrfvh\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-q1vmrfvh\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-q1vmrfvh\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-q1vmrfvh\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-q1vmrfvh\atom_openmm.egg-info\SOURCES.txt'
listing git files failed - pretending there aren't any
reading manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-q1vmrfvh\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-q1vmrfvh\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-q1vmrfvh\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\1\pip-build-env-96n94gmb\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\1\pip-wheel-wepobvvd\.tmp-qcgwy05u\atom_openmm-8.4.0-py3-none-any.whl' and adding 'build\bdist.win-amd64\wheel' to it
adding 'atom_openmm/__init__.py'
adding 'atom_openmm/abfe_explicit.py'
adding 'atom_openmm/abfe_production.py'
adding 'atom_openmm/abfe_structprep.py'
adding 'atom_openmm/async_re.py'
adding 'atom_openmm/gibbs_sampling.py'
adding 'atom_openmm/local_openmm_transport.py'
adding 'atom_openmm/make_atm_system_from_amber.py'
adding 'atom_openmm/make_atm_system_from_pdb.py'
adding 'atom_openmm/make_atm_system_from_rcpt_lig.py'
adding 'atom_openmm/ommreplica.py'
adding 'atom_openmm/ommsystem.py'
adding 'atom_openmm/ommworker.py'
adding 'atom_openmm/openmm_async_re.py'
adding 'atom_openmm/rbfe_explicit.py'
adding 'atom_openmm/rbfe_production.py'
adding 'atom_openmm/rbfe_structprep.py'
adding 'atom_openmm/temperatureRE_explicit.py'
adding 'atom_openmm/transport.py'
adding 'atom_openmm/uwham.py'
adding 'atom_openmm/utils/AtomUtils.py'
adding 'atom_openmm/utils/__init__.py'
adding 'atom_openmm/utils/config.py'
adding 'atom_openmm/utils/logging.conf'
adding 'atom_openmm/utils/singal_guard.py'
adding 'atom_openmm/utils/timer.py'
adding 'atom_openmm-8.4.0.dist-info/licenses/LICENSE'
adding 'atom_openmm-8.4.0.dist-info/METADATA'
adding 'atom_openmm-8.4.0.dist-info/WHEEL'
adding 'atom_openmm-8.4.0.dist-info/entry_points.txt'
adding 'atom_openmm-8.4.0.dist-info/top_level.txt'
adding 'atom_openmm-8.4.0.dist-info/RECORD'
removing build\bdist.win-amd64\wheel
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835333} normal block at 0x00000163047EE4D0, 8 bytes long.
Data: < c > 00 00 D0 04 63 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x00000163066E23A0, 1080 bytes long.
Data: < L > 04 95 00 00 CD CD CD CD 4C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000163047E6160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:35:40 (32320): wrapper (7.9.26016): starting
09:35:40 (32320): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x0000019171695EB0, 8 bytes long.
Data: < q > 00 00 B2 71 91 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000019171696390, 1080 bytes long.
Data: < P > 08 50 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
15:19:13 (22692): wrapper (7.9.26016): starting
15:19:13 (22692): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x0000018BA8185400, 8 bytes long.
Data: < X > 00 00 58 A8 8B 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000018BA81867B0, 1080 bytes long.
Data: < ` > D4 60 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:31:19 (22760): wrapper (7.9.26016): starting
15:31:19 (22760): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x000001C6078D5A50, 8 bytes long.
Data: < > 00 00 86 07 C6 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000001C6078D6770, 1080 bytes long.
Data: <$Y > 24 59 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:51:09 (6016): wrapper (7.9.26016): starting
15:51:09 (6016): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x0000028EA1755300, 8 bytes long.
Data: < > 00 00 C7 A1 8E 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000028EA17565F0, 1080 bytes long.
Data: <0h > 30 68 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
15:56:08 (35624): wrapper (7.9.26016): starting
15:56:08 (35624): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x0000025EE6A55440, 8 bytes long.
Data: < L ^ > 00 00 4C E8 5E 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000025EE6A565F0, 1080 bytes long.
Data: <H^ > 48 5E 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
15:57:16 (33920): wrapper (7.9.26016): starting
15:57:16 (33920): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x000001E374A558A0, 8 bytes long.
Data: < t > 00 00 A0 74 E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000001E374A56050, 1080 bytes long.
Data: < ^ > 08 5E 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
15:59:06 (11144): wrapper (7.9.26016): starting
15:59:06 (11144): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x00000241CE6F7030, 8 bytes long.
Data: < A > 00 00 BE CE 41 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x00000241CE6F7E70, 1080 bytes long.
Data: < : > A4 3A 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
16:24:57 (19240): wrapper (7.9.26016): starting
16:24:57 (19240): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x000001E5AEE158A0, 8 bytes long.
Data: < > 00 00 D7 AE E5 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000001E5AEE16140, 1080 bytes long.
Data: < + > B8 2B 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
16:44:50 (33940): wrapper (7.9.26016): starting
16:44:50 (33940): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x000002517CB75940, 8 bytes long.
Data: < }Q > 00 00 02 7D 51 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000002517CB765F0, 1080 bytes long.
Data: < ^ > 20 5E 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:58:00 (12268): wrapper (7.9.26016): starting
16:58:00 (12268): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x0000025F24C05FB0, 8 bytes long.
Data: < %_ > 00 00 0E 25 5F 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000025F24C07200, 1080 bytes long.
Data: <,` > 2C 60 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:59:38 (12128): wrapper (7.9.26016): starting
16:59:38 (12128): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x0000026491CB4FE0, 8 bytes long.
Data: < d > 00 00 C4 91 64 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000026491CB6320, 1080 bytes long.
Data: < X > B0 58 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
17:12:41 (41388): wrapper (7.9.26016): starting
17:12:41 (41388): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x000002265F025530, 8 bytes long.
Data: < ^& > 00 00 FF 5E 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000002265F0265F0, 1080 bytes long.
Data: < > 80 95 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
17:29:48 (3432): wrapper (7.9.26016): starting
17:29:48 (3432): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x000001A296365690, 8 bytes long.
Data: < 1 > 00 00 31 96 A2 01 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x000001A2963665C0, 1080 bytes long.
Data: <D > 44 9C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:42:08 (36432): wrapper (7.9.26016): starting
17:42:08 (36432): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1683} normal block at 0x00000231A04F5350, 8 bytes long.
Data: < 1 > 00 00 9E A0 31 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x00000231A04F65F0, 1080 bytes long.
Data: <4 > 34 A0 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
07:00:00 (4692): wrapper (7.9.26016): starting
07:00:00 (4692): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
08:27:15 (4692): C:/Windows/system32/cmd.exe exited; CPU time 5093.171875
08:27:15 (4692): 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: 115152486 bytes.
Dumping objects ->
{1771} normal block at 0x00000273353E4CB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1760} normal block at 0x00000273353E4BD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1749} normal block at 0x00000273353E4A80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1738} normal block at 0x00000273353E4770, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1727} normal block at 0x00000273353E4B60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1696} normal block at 0x00000273353D0540, 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) : {1683} normal block at 0x00000273353E5760, 8 bytes long.
Data: < ;5s > 00 00 3B 35 73 02 00 00
{301} normal block at 0x00000273353E5CB0, 8 bytes long.
Data: < e>5s > A0 65 3E 35 73 02 00 00
{292} normal block at 0x00000273353D1CE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x00000273353E5C60, 16 bytes long.
Data: < d>5s > A8 64 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000273353E5DA0, 16 bytes long.
Data: < d>5s > 80 64 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000273353E0A50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x00000273353E5440, 16 bytes long.
Data: <Xd>5s > 58 64 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000273353E51C0, 16 bytes long.
Data: <0d>5s > 30 64 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000273353E55D0, 16 bytes long.
Data: < d>5s > 08 64 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000273353E5580, 16 bytes long.
Data: < c>5s > E0 63 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000273353E4AF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x00000273353E5850, 16 bytes long.
Data: < =5s > D8 04 3D 35 73 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000273353E1470, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x00000273353E5800, 16 bytes long.
Data: < =5s > B0 04 3D 35 73 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000273353E5C10, 16 bytes long.
Data: < =5s > 88 04 3D 35 73 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000273353E5B70, 16 bytes long.
Data: <` =5s > 60 04 3D 35 73 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000273353E5E90, 16 bytes long.
Data: <8 =5s > 38 04 3D 35 73 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000273353E5F80, 16 bytes long.
Data: < =5s > 10 04 3D 35 73 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000273353E6110, 16 bytes long.
Data: < =5s > E8 03 3D 35 73 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000273353E1110, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x00000273353E57B0, 16 bytes long.
Data: < =5s > C0 03 3D 35 73 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000273353D03C0, 320 bytes long.
Data: < W>5s >5s > B0 57 3E 35 73 02 00 00 10 11 3E 35 73 02 00 00
{271} normal block at 0x00000273353E6070, 16 bytes long.
Data: < c>5s > C0 63 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000273353E5A30, 16 bytes long.
Data: < c>5s > 98 63 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000273353E0B10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x00000273353E53F0, 16 bytes long.
Data: <pc>5s > 70 63 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000273353E0C30, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x00000273353E5210, 16 bytes long.
Data: < b>5s > B8 62 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000273353E59E0, 16 bytes long.
Data: < b>5s > 90 62 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000273353E5F30, 16 bytes long.
Data: <hb>5s > 68 62 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000273353E53A0, 16 bytes long.
Data: <@b>5s > 40 62 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000273353E5B20, 16 bytes long.
Data: < b>5s > 18 62 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000273353E54E0, 16 bytes long.
Data: < a>5s > F0 61 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000273353E5350, 16 bytes long.
Data: < E>5s > B0 45 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000273353E45B0, 40 bytes long.
Data: <PS>5s @ =5s > 50 53 3E 35 73 02 00 00 40 05 3D 35 73 02 00 00
{257} normal block at 0x00000273353E5BC0, 16 bytes long.
Data: < a>5s > D0 61 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000273353E5940, 16 bytes long.
Data: < a>5s > A8 61 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000273353E0F30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x00000273353E56C0, 16 bytes long.
Data: < a>5s > 80 61 3E 35 73 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000273353E6180, 992 bytes long.
Data: < V>5s 0 >5s > C0 56 3E 35 73 02 00 00 30 0F 3E 35 73 02 00 00
{89} normal block at 0x00000273353E1230, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x00000273353DD400, 16 bytes long.
Data: <p <5s > 70 C4 3C 35 73 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000273353CC470, 40 bytes long.
Data: < =5s 0 >5s > 00 D4 3D 35 73 02 00 00 30 12 3E 35 73 02 00 00
{66} normal block at 0x00000273353DCF50, 16 bytes long.
Data: < t > 80 EA 74 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000273353DD220, 16 bytes long.
Data: <@ t > 40 E9 74 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000273353DD180, 16 bytes long.
Data: < Wq > F8 57 71 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000273353DD360, 16 bytes long.
Data: < Wq > D8 57 71 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000273353DD8B0, 16 bytes long.
Data: <P q > 50 04 71 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000273353DDD60, 16 bytes long.
Data: <0 q > 30 04 71 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000273353DD9A0, 16 bytes long.
Data: < q > E0 02 71 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000273353DD950, 16 bytes long.
Data: < q > 10 04 71 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000273353DD090, 16 bytes long.
Data: <p q > 70 04 71 E2 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000273353DDA40, 16 bytes long.
Data: < o > 18 C0 6F E2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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