Task 38580313
| Name | JNK1_A19_A34_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND4459_0 |
| Workunit | 31545163 |
| Created | 11 Dec 2025, 14:26:33 UTC |
| Sent | 11 Dec 2025, 14:26:34 UTC |
| Report deadline | 16 Dec 2025, 14:26:34 UTC |
| Received | 19 Dec 2025, 2:54:20 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Cancelled by server |
| Exit status | 202 (0x000000CA) EXIT_ABORTED_BY_PROJECT |
| Computer ID | 643210 |
| Run time | 16 hours 17 min 1 sec |
| CPU time | 16 hours 10 min 11 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 2,144.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 656.36 MB |
| Peak swap size | 3.70 GB |
| Peak disk usage | 3.16 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
aborted by project - no longer usable</message>
<stderr_txt>
06:30:36 (2576): wrapper (7.9.26016): starting
06:30:36 (2576): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A34_0.pdb
QB_A19_A34_0.xml
QB_A19_A34_equil.pdb
QB_A19_A34.inpcrd
QB_A19_A34_input.yaml
QB_A19_A34_mdlambda.pdb
QB_A19_A34_min.pdb
QB_A19_A34_npt.pdb
QB_A19_A34_out_merged_nowater.pdb
QB_A19_A34.pdb
QB_A19_A34.prmtop
QB_A19_A34_sys.xml
QB_A19_A34_therm.pdb
run.bat
run.sh
06:30:38 (2576): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:30:38 (2576): 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
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\0\pip-build-env-xrsdlpd6\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-xrsdlpd6\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-xrsdlpd6\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-mok_pqk8\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\0\pip-modern-metadata-mok_pqk8\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-mok_pqk8\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-mok_pqk8\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-mok_pqk8\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-mok_pqk8\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-mok_pqk8\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-mok_pqk8\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-mok_pqk8\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-mok_pqk8\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\0\pip-build-env-xrsdlpd6\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-twa1wc96\.tmp-9fq9qy1z\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) : {3835099} normal block at 0x000002BAC076E460, 8 bytes long.
Data: < q > 00 00 71 C0 BA 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000002BAC23A9950, 1080 bytes long.
Data: <06 > 30 36 00 00 CD CD CD CD B0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002BAC0764770, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:16:52 (4112): wrapper (7.9.26016): starting
07:16:52 (4112): 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) : {1448} normal block at 0x000001D28AC26360, 8 bytes long.
Data: < > 00 00 BF 8A D2 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001D28AC24240, 1080 bytes long.
Data: < 0 > F4 30 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
07:48:09 (2484): wrapper (7.9.26016): starting
07:48:09 (2484): 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) : {1448} normal block at 0x0000020AE4EA5F00, 8 bytes long.
Data: < > 00 00 80 E6 0A 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000020AE4EA4240, 1080 bytes long.
Data: < C > D0 43 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
08:47:32 (1836): wrapper (7.9.26016): starting
08:47:32 (1836): 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) : {1448} normal block at 0x000002726B4B56E0, 8 bytes long.
Data: < ~kr > 00 00 7E 6B 72 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002726B4B3980, 1080 bytes long.
Data: < % > A4 25 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
08:52:51 (16868): wrapper (7.9.26016): starting
08:52:51 (16868): 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) : {1448} normal block at 0x0000027FBFDA5E20, 8 bytes long.
Data: < > 00 00 1C C0 7F 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000027FBFDA41B0, 1080 bytes long.
Data: < > F0 14 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
08:56:40 (8452): wrapper (7.9.26016): starting
08:56:40 (8452): 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) : {1448} normal block at 0x0000023ABFC65A10, 8 bytes long.
Data: < X : > 00 00 58 C1 3A 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000023ABFC641B0, 1080 bytes long.
Data: < \ > 08 0C 00 00 CD CD CD CD 5C 00 00 00 00 00 00 00
Object dump complete.
13:43:02 (3624): wrapper (7.9.26016): starting
13:43:02 (3624): 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) : {1448} normal block at 0x00000200BEE255A0, 8 bytes long.
Data: < ( > 00 00 28 BF 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000200BEE24240, 1080 bytes long.
Data: < > C0 09 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
Object dump complete.
14:29:25 (8372): wrapper (7.9.26016): starting
14:29:25 (8372): 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) : {1448} normal block at 0x0000027BBC9A5DB0, 8 bytes long.
Data: < { > 00 00 F7 BC 7B 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000027BBC9A4EA0, 1080 bytes long.
Data: <x. > 78 2E 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
15:54:38 (3176): wrapper (7.9.26016): starting
15:54:38 (3176): 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) : {1448} normal block at 0x0000020532E879A0, 8 bytes long.
Data: < 3 > 00 00 1B 33 05 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000020532E85E60, 1080 bytes long.
Data: < " > BC 22 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
16:01:21 (11136): wrapper (7.9.26016): starting
16:01:21 (11136): 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) : {1448} normal block at 0x0000019017CA5A50, 8 bytes long.
Data: < > 00 00 00 18 90 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000019017CA4240, 1080 bytes long.
Data: < " > D4 22 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
16:11:29 (9208): wrapper (7.9.26016): starting
16:11:29 (9208): 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) : {1448} normal block at 0x00000278C2D26090, 8 bytes long.
Data: < x > 00 00 1F C3 78 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000278C2D24240, 1080 bytes long.
Data: < > > 1C 3E 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
18:52:29 (2072): wrapper (7.9.26016): starting
18:52:29 (2072): 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) : {1448} normal block at 0x0000027BF5A55960, 8 bytes long.
Data: < { > 00 00 E8 F5 7B 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000027BF5A54240, 1080 bytes long.
Data: < > 04 09 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
19:21:32 (8828): wrapper (7.9.26016): starting
19:21:32 (8828): 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) : {1448} normal block at 0x00000267064B51D0, 8 bytes long.
Data: < g > 00 00 94 06 67 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000267064B6060, 1080 bytes long.
Data: < > 00 19 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
08:18:11 (9368): wrapper (7.9.26016): starting
08:18:11 (9368): 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) : {1448} normal block at 0x000002AD67335C80, 8 bytes long.
Data: < ag > 00 00 61 67 AD 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002AD67334240, 1080 bytes long.
Data: <l > 6C 19 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
12:49:13 (9508): wrapper (7.9.26016): starting
12:49:13 (9508): 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) : {1448} normal block at 0x0000020EF5947300, 8 bytes long.
Data: < > 00 00 90 F5 0E 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000020EF59462B0, 1080 bytes long.
Data: <T > 54 16 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
13:24:51 (1856): wrapper (7.9.26016): starting
13:24:51 (1856): 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) : {1448} normal block at 0x00000122FF9A55F0, 8 bytes long.
Data: < ^ " > 00 00 5E 81 22 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000122FF9A4240, 1080 bytes long.
Data: <\ > 5C 1A 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
14:33:42 (5828): wrapper (7.9.26016): starting
14:33:42 (5828): 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) : {1448} normal block at 0x000001AF713B5C40, 8 bytes long.
Data: < oq > 00 00 6F 71 AF 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001AF713B41B0, 1080 bytes long.
Data: < + > D8 2B 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
14:48:21 (1988): wrapper (7.9.26016): starting
14:48:21 (1988): 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) : {1448} normal block at 0x000001D74A406660, 8 bytes long.
Data: < uJ > 00 00 75 4A D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001D74A4055C0, 1080 bytes long.
Data: < > 90 1E 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
14:53:39 (5096): wrapper (7.9.26016): starting
14:53:39 (5096): 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) : {1448} normal block at 0x000001F9AB845A00, 8 bytes long.
Data: < > 00 00 C3 AB F9 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001F9AB844240, 1080 bytes long.
Data: < - > C4 2D 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
18:11:41 (2104): wrapper (7.9.26016): starting
18:11:41 (2104): 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) : {1448} normal block at 0x000001AA78147240, 8 bytes long.
Data: < ax > 00 00 61 78 AA 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001AA781455C0, 1080 bytes long.
Data: < / > 88 2F 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
18:51:07 (5088): wrapper (7.9.26016): starting
18:51:07 (5088): 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) : {1448} normal block at 0x000001AF59525790, 8 bytes long.
Data: < NY > 00 00 4E 59 AF 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001AF595241B0, 1080 bytes long.
Data: < > 18 18 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
19:05:42 (4712): wrapper (7.9.26016): starting
19:05:42 (4712): 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) : {1448} normal block at 0x0000022DAAD94D60, 8 bytes long.
Data: < - > 00 00 1E AB 2D 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000022DAAD93AF0, 1080 bytes long.
Data: <d* > 64 2A 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
08:05:09 (16592): wrapper (7.9.26016): starting
08:05:09 (16592): 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) : {1448} normal block at 0x000001AD789169F0, 8 bytes long.
Data: < z > 00 00 1F 7A AD 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001AD78915AE0, 1080 bytes long.
Data: <84 > 38 34 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
08:08:12 (7040): wrapper (7.9.26016): starting
08:08:12 (7040): 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) : {1448} normal block at 0x00000247FC095B00, 8 bytes long.
Data: < E G > 00 00 45 FC 47 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000247FC0941B0, 1080 bytes long.
Data: < G > 88 47 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
08:16:19 (4548): wrapper (7.9.26016): starting
08:16:19 (4548): 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) : {1448} normal block at 0x000001E00B917810, 8 bytes long.
Data: < > 00 00 C5 0B E0 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001E00B915E60, 1080 bytes long.
Data: < > > CC 3E 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
09:02:40 (17420): wrapper (7.9.26016): starting
09:02:40 (17420): 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) : {1448} normal block at 0x0000022E9D5860E0, 8 bytes long.
Data: < . > 00 00 86 9D 2E 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000022E9D584240, 1080 bytes long.
Data: <x? > 78 3F 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
09:41:14 (16660): wrapper (7.9.26016): starting
09:41:14 (16660): 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) : {1448} normal block at 0x000002213B8256D0, 8 bytes long.
Data: < ;! > 00 00 C6 3B 21 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002213B823A10, 1080 bytes long.
Data: <xE > 78 45 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
11:06:09 (5072): wrapper (7.9.26016): starting
11:06:09 (5072): 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) : {1448} normal block at 0x00000174A4BE5EC0, 8 bytes long.
Data: < t > 00 00 06 A5 74 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000174A4BE41B0, 1080 bytes long.
Data: < 3 > 94 33 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
12:40:10 (16356): wrapper (7.9.26016): starting
12:40:10 (16356): 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) : {1448} normal block at 0x00000181093A60A0, 8 bytes long.
Data: < 5 > 00 00 35 09 81 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x00000181093A41B0, 1080 bytes long.
Data: < > B0 17 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
14:17:41 (18064): wrapper (7.9.26016): starting
14:17:41 (18064): 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) : {1448} normal block at 0x0000021164D07E20, 8 bytes long.
Data: < d > 00 00 C9 64 11 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000021164D06E70, 1080 bytes long.
Data: < 4 > 04 34 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
16:13:39 (5988): wrapper (7.9.26016): starting
16:13:39 (5988): 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) : {1448} normal block at 0x000001C072AE5E60, 8 bytes long.
Data: < r > 00 00 A9 72 C0 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001C072AE4240, 1080 bytes long.
Data: <XE > 58 45 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
16:17:18 (3444): wrapper (7.9.26016): starting
16:17:18 (3444): 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) : {1448} normal block at 0x0000017B1FAB5A00, 8 bytes long.
Data: < { > 00 00 E1 1F 7B 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000017B1FAB4240, 1080 bytes long.
Data: <x$ > 78 24 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
16:36:17 (6332): wrapper (7.9.26016): starting
16:36:17 (6332): 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) : {1448} normal block at 0x000001611A857EA0, 8 bytes long.
Data: < a > 00 00 C5 1A 61 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001611A856540, 1080 bytes long.
Data: < > A0 11 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
16:56:35 (10328): wrapper (7.9.26016): starting
16:56:35 (10328): 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) : {1448} normal block at 0x000001D351795B30, 8 bytes long.
Data: < Q > 00 00 D8 51 D3 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001D351793A10, 1080 bytes long.
Data: < > > C0 3E 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
17:03:33 (6568): wrapper (7.9.26016): starting
17:03:33 (6568): 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) : {1448} normal block at 0x000001C829735F60, 8 bytes long.
Data: < p) > 00 00 70 29 C8 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001C829733DF0, 1080 bytes long.
Data: <d@ > 64 40 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
17:11:44 (3648): wrapper (7.9.26016): starting
17:11:44 (3648): 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) : {1448} normal block at 0x0000019C4AB657E0, 8 bytes long.
Data: < K > 00 00 03 4B 9C 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000019C4AB641B0, 1080 bytes long.
Data: < > D0 16 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
17:22:40 (8772): wrapper (7.9.26016): starting
17:22:40 (8772): 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) : {1448} normal block at 0x0000025ACB7B7DB0, 8 bytes long.
Data: < Z > 00 00 C4 CB 5A 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000025ACB7B6CC0, 1080 bytes long.
Data: < > 14 09 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
17:40:22 (15900): wrapper (7.9.26016): starting
17:40:22 (15900): 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) : {1448} normal block at 0x000001984FE95BB0, 8 bytes long.
Data: < P > 00 00 1C 50 98 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001984FE93B30, 1080 bytes long.
Data: < ' > A4 27 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
17:44:10 (5316): wrapper (7.9.26016): starting
17:44:10 (5316): 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) : {1448} normal block at 0x0000019CFF455C30, 8 bytes long.
Data: < A > 00 00 41 FF 9C 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000019CFF454240, 1080 bytes long.
Data: <d. > 64 2E 00 00 CD CD CD CD B4 01 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra