| Name | JNK1_A20_A12_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND1714_2 |
| Workunit | 31545178 |
| Created | 11 Dec 2025, 16:06:23 UTC |
| Sent | 11 Dec 2025, 16:06:29 UTC |
| Report deadline | 16 Dec 2025, 16:06:29 UTC |
| Received | 13 Dec 2025, 1:39:44 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED |
| Computer ID | 642268 |
| Run time | 23 hours 45 min 30 sec |
| CPU time | 23 hours 35 min 50 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 28,394.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.24 MB |
| Peak swap size | 13.09 GB |
| Peak disk usage | 3.23 GB |
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
exceeded elapsed time limit 85529.07 (100000000000.00G/1169193.12G)</message>
<stderr_txt>
11:07:25 (41344): wrapper (7.9.26016): starting
11:07:25 (41344): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A12_0.pdb
QB_A20_A12_0.xml
QB_A20_A12_equil.pdb
QB_A20_A12.inpcrd
QB_A20_A12_input.yaml
QB_A20_A12_mdlambda.pdb
QB_A20_A12_min.pdb
QB_A20_A12_npt.pdb
QB_A20_A12_out_merged_nowater.pdb
QB_A20_A12.pdb
QB_A20_A12.prmtop
QB_A20_A12_sys.xml
QB_A20_A12_therm.pdb
run.bat
run.sh
11:07:27 (41344): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:07:27 (41344): 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
Using cached 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)
Using cached 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-94xwiduw\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-94xwiduw\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-94xwiduw\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-c7zxxzce\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\1\pip-modern-metadata-c7zxxzce\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-c7zxxzce\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-c7zxxzce\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-c7zxxzce\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-c7zxxzce\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-c7zxxzce\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-c7zxxzce\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-c7zxxzce\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-c7zxxzce\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\1\pip-build-env-94xwiduw\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-qvlwcfbe\.tmp-x3al1jjd\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) : {3835107} normal block at 0x000001F02F88DDC0, 8 bytes long.
Data: < / > 00 00 D2 2F F0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000001F02F87D890, 1080 bytes long.
Data: < : > AC 3A 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F02F882320, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:53:48 (14004): wrapper (7.9.26016): starting
15:53:48 (14004): 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) : {1452} normal block at 0x0000020DFC755900, 8 bytes long.
Data: < n > 00 00 6E FC 0D 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000020DFC756CE0, 1080 bytes long.
Data: < > 90 17 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:01:35 (45604): wrapper (7.9.26016): starting
16:01:35 (45604): 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) : {1452} normal block at 0x00000215584C6260, 8 bytes long.
Data: < FX > 00 00 46 58 15 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000215584C6D30, 1080 bytes long.
Data: < > 08 AA 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
16:28:58 (39720): wrapper (7.9.26016): starting
16:28:58 (39720): 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) : {1452} normal block at 0x000001F9FDF65E50, 8 bytes long.
Data: < > 00 00 F0 FD F9 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001F9FDF66CE0, 1080 bytes long.
Data: < > C8 91 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
18:51:02 (43340): wrapper (7.9.26016): starting
18:51:02 (43340): 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) : {1452} normal block at 0x000001EA9D405EA0, 8 bytes long.
Data: < 9 > 00 00 39 9D EA 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001EA9D406CE0, 1080 bytes long.
Data: < > 98 18 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
20:06:49 (6124): wrapper (7.9.26016): starting
20:06:49 (6124): 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) : {1452} normal block at 0x0000026259F96080, 8 bytes long.
Data: < Yb > 00 00 F3 59 62 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000026259F96D30, 1080 bytes long.
Data: < u > C0 75 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
20:13:25 (44196): wrapper (7.9.26016): starting
20:13:25 (44196): 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) : {1452} normal block at 0x000001CDBC4D66B0, 8 bytes long.
Data: < F > 00 00 46 BC CD 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001CDBC4D6D20, 1080 bytes long.
Data: <| > 7C AE 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
21:13:08 (28024): wrapper (7.9.26016): starting
21:13:08 (28024): 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) : {1452} normal block at 0x0000021D5E326220, 8 bytes long.
Data: < *^ > 00 00 2A 5E 1D 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000021D5E326CF0, 1080 bytes long.
Data: <p > 70 A9 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
22:10:53 (48588): wrapper (7.9.26016): starting
22:10:53 (48588): 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) : {1452} normal block at 0x0000019C6FBE61C0, 8 bytes long.
Data: < o > 00 00 FE 6F 9C 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000019C6FBE6D30, 1080 bytes long.
Data: < > 88 C1 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
02:00:15 (49100): wrapper (7.9.26016): starting
02:00:15 (49100): 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) : {1452} normal block at 0x0000019451475DF0, 8 bytes long.
Data: < AQ > 00 00 41 51 94 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000019451476D20, 1080 bytes long.
Data: <| > 7C B8 00 00 CD CD CD CD 90 01 00 00 00 00 00 00
Object dump complete.
02:07:29 (43168): wrapper (7.9.26016): starting
02:07:29 (43168): 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) : {1452} normal block at 0x0000022990D95E00, 8 bytes long.
Data: < ) > 00 00 16 91 29 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000022990D96D30, 1080 bytes long.
Data: < > 88 B2 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
02:20:17 (41576): wrapper (7.9.26016): starting
02:20:17 (41576): 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) : {1452} normal block at 0x0000019061285A40, 8 bytes long.
Data: < a > 00 00 8C 61 90 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000019061286D30, 1080 bytes long.
Data: < > 04 12 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
03:36:03 (44824): wrapper (7.9.26016): starting
03:36:03 (44824): 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) : {1452} normal block at 0x0000020825D16570, 8 bytes long.
Data: < & > 00 00 20 26 08 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000020825D16B90, 1080 bytes long.
Data: <d > 64 AC 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
04:23:12 (51136): wrapper (7.9.26016): starting
04:23:12 (51136): 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) : {1452} normal block at 0x000001F3B3465E80, 8 bytes long.
Data: < A > 00 00 41 B3 F3 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001F3B3466FE0, 1080 bytes long.
Data: < t > DC 74 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
05:02:47 (19932): wrapper (7.9.26016): starting
05:02:47 (19932): 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) : {1452} normal block at 0x000002A5E20C5B90, 8 bytes long.
Data: < > 00 00 06 E2 A5 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002A5E20C6C50, 1080 bytes long.
Data: <\ > 5C AD 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
05:07:23 (51036): wrapper (7.9.26016): starting
05:07:23 (51036): 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) : {1452} normal block at 0x0000020AA02E6600, 8 bytes long.
Data: < > 00 00 7F A0 0A 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000020AA02E6CC0, 1080 bytes long.
Data: < > D8 C4 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
05:16:47 (46004): wrapper (7.9.26016): starting
05:16:47 (46004): 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) : {1452} normal block at 0x00000204EFF16170, 8 bytes long.
Data: < = > 00 00 3D F0 04 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000204EFF16D30, 1080 bytes long.
Data: <4 > 34 AF 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
05:24:01 (44608): wrapper (7.9.26016): starting
05:24:01 (44608): 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) : {1452} normal block at 0x0000019FBB905A90, 8 bytes long.
Data: < > 00 00 DB BB 9F 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000019FBB906D30, 1080 bytes long.
Data: < > 20 C4 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
05:28:43 (37244): wrapper (7.9.26016): starting
05:28:43 (37244): 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) : {1452} normal block at 0x00000162C2DE6300, 8 bytes long.
Data: < b > 00 00 D7 C2 62 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x00000162C2DE6CE0, 1080 bytes long.
Data: < > D8 AF 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
05:42:15 (51748): wrapper (7.9.26016): starting
05:42:15 (51748): 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) : {1452} normal block at 0x0000021ACB0D5B70, 8 bytes long.
Data: < ` > 00 00 60 CB 1A 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000021ACB0D6D20, 1080 bytes long.
Data: <$ > 24 C6 00 00 CD CD CD CD A0 01 00 00 00 00 00 00
Object dump complete.
06:28:37 (5052): wrapper (7.9.26016): starting
06:28:37 (5052): 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) : {1452} normal block at 0x000001FA019B5D00, 8 bytes long.
Data: < V > 00 00 56 03 FA 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001FA019B6D20, 1080 bytes long.
Data: <8 > 38 91 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
06:32:10 (6080): wrapper (7.9.26016): starting
06:32:10 (6080): 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) : {1452} normal block at 0x000001B0636A6D90, 8 bytes long.
Data: < c > 00 00 D4 63 B0 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001B0636A7DB0, 1080 bytes long.
Data: <x > 78 A1 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
07:29:32 (15500): wrapper (7.9.26016): starting
07:29:32 (15500): 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) : {1452} normal block at 0x000002056CEC6850, 8 bytes long.
Data: < l > 00 00 E8 6C 05 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002056CEC6CE0, 1080 bytes long.
Data: <$ > 24 9B 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
08:03:11 (41960): wrapper (7.9.26016): starting
08:03:11 (41960): 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) : {1452} normal block at 0x000001FAB8A75EA0, 8 bytes long.
Data: < > 00 00 F8 B8 FA 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001FAB8A76D30, 1080 bytes long.
Data: <L > 4C 93 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
09:10:16 (6516): wrapper (7.9.26016): starting
09:10:16 (6516): 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) : {1452} normal block at 0x000002A7D6A970E0, 8 bytes long.
Data: < > 00 00 03 D7 A7 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002A7D6A97DB0, 1080 bytes long.
Data: < > BC 91 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
Object dump complete.
15:31:46 (38100): wrapper (7.9.26016): starting
15:31:46 (38100): 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) : {1452} normal block at 0x0000028779C96030, 8 bytes long.
Data: < "z > 00 00 22 7A 87 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000028779C96CE0, 1080 bytes long.
Data: < > D4 93 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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