Task 38580283
| Name | JNK1_A10_A05_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND0474_0 |
| Workunit | 31545143 |
| Created | 11 Dec 2025, 14:24:53 UTC |
| Sent | 11 Dec 2025, 14:24:55 UTC |
| Report deadline | 16 Dec 2025, 14:24:55 UTC |
| Received | 14 Dec 2025, 7:00:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647781 |
| Run time | 2 days 11 hours 21 min 43 sec |
| CPU time | 2 days 2 hours 56 min 51 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 20,322.52 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 661.95 MB |
| Peak swap size | 5.41 GB |
| Peak disk usage | 3.51 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:28:19 (11168): wrapper (7.9.26016): starting
08:28:19 (11168): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A05_0.pdb
QB_A10_A05_0.xml
QB_A10_A05_equil.pdb
QB_A10_A05.inpcrd
QB_A10_A05_input.yaml
QB_A10_A05_mdlambda.pdb
QB_A10_A05_min.pdb
QB_A10_A05_npt.pdb
QB_A10_A05_out_merged_nowater.pdb
QB_A10_A05.pdb
QB_A10_A05.prmtop
QB_A10_A05_sys.xml
QB_A10_A05_therm.pdb
run.bat
run.sh
08:28:20 (11168): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:28:20 (11168): 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-ul49t07z\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-ul49t07z\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-ul49t07z\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-ghwpo5bu\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ghwpo5bu\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ghwpo5bu\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ghwpo5bu\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ghwpo5bu\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ghwpo5bu\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ghwpo5bu\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-ghwpo5bu\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-ghwpo5bu\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\1\pip-modern-metadata-ghwpo5bu\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\1\pip-build-env-ul49t07z\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-oggj2r8q\.tmp-j8ek5cqg\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) : {3835420} normal block at 0x000001B75D1E75F0, 8 bytes long.
Data: < ] > 00 00 1B 5D B7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833948} normal block at 0x000001B75EE77800, 1080 bytes long.
Data: < > 0C 0A 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001B75D1F0700, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:16:46 (13056): wrapper (7.9.26016): starting
16:16:46 (13056): 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) : {1771} normal block at 0x000001C32FAD36B0, 8 bytes long.
Data: < / > 00 00 AA 2F C3 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001C32FAD5910, 1080 bytes long.
Data: < B @ > 1C 42 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
16:50:54 (13852): wrapper (7.9.26016): starting
16:50:54 (13852): 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) : {1771} normal block at 0x000002014AB71A60, 8 bytes long.
Data: < J > 00 00 B4 4A 01 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000002014AB73D00, 1080 bytes long.
Data: <xT @ > 78 54 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
16:55:49 (5780): wrapper (7.9.26016): starting
16:55:49 (5780): 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) : {1771} normal block at 0x000001DB6AC91D30, 8 bytes long.
Data: < j > 00 00 C2 6A DB 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001DB6AC93D00, 1080 bytes long.
Data: <XF P > 58 46 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
18:08:01 (6276): wrapper (7.9.26016): starting
18:08:01 (6276): 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) : {1771} normal block at 0x0000027A58B02300, 8 bytes long.
Data: < Xz > 00 00 AB 58 7A 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x0000027A58B03CE0, 1080 bytes long.
Data: <T T > 54 1D 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
18:34:31 (9472): wrapper (7.9.26016): starting
18:34:31 (9472): 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) : {1771} normal block at 0x000001F3F97C1740, 8 bytes long.
Data: < > 00 00 04 FB F3 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001F3F97C3D00, 1080 bytes long.
Data: < @ > A4 13 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
18:38:49 (14676): wrapper (7.9.26016): starting
18:38:49 (14676): 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) : {1771} normal block at 0x00000135966332A0, 8 bytes long.
Data: < ] 5 > 00 00 5D 96 35 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x00000135966352C0, 1080 bytes long.
Data: < % @ > DC 25 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
18:48:06 (16596): wrapper (7.9.26016): starting
18:48:06 (16596): 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) : {1771} normal block at 0x00000252D9FB2320, 8 bytes long.
Data: < R > 00 00 F6 D9 52 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x00000252D9FB3D00, 1080 bytes long.
Data: <<D H > 3C 44 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
18:54:16 (20028): wrapper (7.9.26016): starting
18:54:16 (20028): 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) : {1771} normal block at 0x0000026E8A952740, 8 bytes long.
Data: < ; n > 00 00 3B 8C 6E 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x0000026E8A954A30, 1080 bytes long.
Data: <|[ @ > 7C 5B 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
19:17:50 (15040): wrapper (7.9.26016): starting
19:17:50 (15040): 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) : {1771} normal block at 0x00000214278920F0, 8 bytes long.
Data: < ") > 00 00 22 29 14 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x0000021427893CB0, 1080 bytes long.
Data: < X @ > FC 58 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
12:21:06 (5692): wrapper (7.9.26016): starting
12:21:06 (5692): 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) : {1771} normal block at 0x00000209400B2AC0, 8 bytes long.
Data: < A > 00 00 9A 41 09 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x00000209400B4900, 1080 bytes long.
Data: < T P > B8 54 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
12:39:42 (4484): wrapper (7.9.26016): starting
12:39:42 (4484): 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) : {1771} normal block at 0x000001F18DE619C0, 8 bytes long.
Data: < > 00 00 E3 8D F1 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001F18DE63D00, 1080 bytes long.
Data: < 8 D > F4 38 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
12:47:00 (21456): wrapper (7.9.26016): starting
12:47:00 (21456): 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) : {1771} normal block at 0x000001CE955B16A0, 8 bytes long.
Data: < > 00 00 E3 96 CE 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001CE955B3D00, 1080 bytes long.
Data: < S T > 8C 53 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
13:00:14 (3484): wrapper (7.9.26016): starting
13:00:14 (3484): 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) : {1771} normal block at 0x0000026B844321E0, 8 bytes long.
Data: < k > 00 00 E2 85 6B 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x0000026B84433D00, 1080 bytes long.
Data: < T T > 88 54 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
13:06:36 (13176): wrapper (7.9.26016): starting
13:06:36 (13176): 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) : {1771} normal block at 0x000001F2946D1D80, 8 bytes long.
Data: < h > 00 00 68 94 F2 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001F2946D3D00, 1080 bytes long.
Data: < L T > 94 4C 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
13:19:29 (6596): wrapper (7.9.26016): starting
13:19:29 (6596): 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) : {1771} normal block at 0x00000226E2FA1E20, 8 bytes long.
Data: < & > 00 00 9F E4 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x00000226E2FA3D00, 1080 bytes long.
Data: < @ @ > B8 40 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
13:24:13 (8316): wrapper (7.9.26016): starting
13:24:13 (8316): 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) : {1771} normal block at 0x000001CAA3B11F60, 8 bytes long.
Data: < K > 00 00 4B A5 CA 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001CAA3B13D00, 1080 bytes long.
Data: < @ > FC 07 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
22:00:27 (19624): wrapper (7.9.26016): starting
22:00:27 (19624): 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) : {1771} normal block at 0x000001D621501EC0, 8 bytes long.
Data: < K! > 00 00 4B 21 D6 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001D621503D00, 1080 bytes long.
Data: < N T > C8 4E 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
22:04:16 (1416): wrapper (7.9.26016): starting
22:04:16 (1416): 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) : {1771} normal block at 0x000001EC4ACB2A10, 8 bytes long.
Data: < J > 00 00 C5 4A EC 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001EC4ACB4990, 1080 bytes long.
Data: << @ > 3C 17 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
23:13:08 (18108): wrapper (7.9.26016): starting
23:13:08 (18108): 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) : {1771} normal block at 0x000002807BF91920, 8 bytes long.
Data: < { > 00 00 F3 7B 80 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000002807BF93D00, 1080 bytes long.
Data: << D > 3C 14 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
23:23:39 (18256): wrapper (7.9.26016): starting
23:23:39 (18256): 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) : {1771} normal block at 0x000001F81E0422D0, 8 bytes long.
Data: < > 00 00 FE 1D F8 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001F81E043D00, 1080 bytes long.
Data: < L > 8C 1A 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
23:28:43 (16464): wrapper (7.9.26016): starting
23:28:43 (16464): 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) : {1771} normal block at 0x0000011378DD2190, 8 bytes long.
Data: < yz > 00 00 79 7A 13 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x0000011378DD3D00, 1080 bytes long.
Data: < @ > 0C 06 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
Object dump complete.
00:09:52 (12024): wrapper (7.9.26016): starting
00:09:52 (12024): 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) : {1771} normal block at 0x0000020ACC231D20, 8 bytes long.
Data: < > 00 00 1D CC 0A 02 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x0000020ACC233CA0, 1080 bytes long.
Data: < 7 T > 18 37 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
00:15:08 (12644): wrapper (7.9.26016): starting
00:15:08 (12644): 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
00:30:59 (12644): C:/Windows/system32/cmd.exe exited; CPU time 747.578125
00:30:59 (12644): 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: 14683868 bytes.
Dumping objects ->
{1859} normal block at 0x000001F396FABFA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1848} normal block at 0x000001F396FABEC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1837} normal block at 0x000001F396FABE50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1826} normal block at 0x000001F396FABC90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1815} normal block at 0x000001F396FABD70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1784} normal block at 0x000001F396F965C0, 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) : {1771} normal block at 0x000001F396FB16A0, 8 bytes long.
Data: < > 00 00 83 98 F3 01 00 00
{300} normal block at 0x000001F396FB23C0, 8 bytes long.
Data: < = > 00 3D FB 96 F3 01 00 00
{291} normal block at 0x000001F396F95F10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001F396FB22D0, 16 bytes long.
Data: < < > 08 3C FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F396FB2280, 16 bytes long.
Data: < ; > E0 3B FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F396FADD30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001F396FB2190, 16 bytes long.
Data: < ; > B8 3B FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F396FB1740, 16 bytes long.
Data: < ; > 90 3B FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F396FB1BA0, 16 bytes long.
Data: <h; > 68 3B FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F396FB1B50, 16 bytes long.
Data: <@; > 40 3B FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F396FABD00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001F396FB1E70, 16 bytes long.
Data: < ^ > A8 5E F9 96 F3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F396FAD9D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001F396FB1830, 16 bytes long.
Data: < ^ > 80 5E F9 96 F3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F396FB1920, 16 bytes long.
Data: <X^ > 58 5E F9 96 F3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F396FB2140, 16 bytes long.
Data: <0^ > 30 5E F9 96 F3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F396FB2230, 16 bytes long.
Data: < ^ > 08 5E F9 96 F3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F396FB18D0, 16 bytes long.
Data: < ] > E0 5D F9 96 F3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F396FB1880, 16 bytes long.
Data: < ] > B8 5D F9 96 F3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F396FADCD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001F396FB20F0, 16 bytes long.
Data: < ] > 90 5D F9 96 F3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F396F95D90, 320 bytes long.
Data: < > F0 20 FB 96 F3 01 00 00 D0 DC FA 96 F3 01 00 00
{270} normal block at 0x000001F396FB1E20, 16 bytes long.
Data: < ; > 20 3B FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F396FB1B00, 16 bytes long.
Data: < : > F8 3A FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F396FAD250, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001F396FB2050, 16 bytes long.
Data: < : > D0 3A FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F396FADB50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001F396FB2000, 16 bytes long.
Data: < : > 18 3A FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F396FB20A0, 16 bytes long.
Data: < 9 > F0 39 FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F396FB1F10, 16 bytes long.
Data: < 9 > C8 39 FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F396FB1AB0, 16 bytes long.
Data: < 9 > A0 39 FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F396FB1EC0, 16 bytes long.
Data: <x9 > 78 39 FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F396FB1510, 16 bytes long.
Data: <P9 > 50 39 FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F396FB1F60, 16 bytes long.
Data: < > 20 BC FA 96 F3 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F396FABC20, 40 bytes long.
Data: <` e > 60 1F FB 96 F3 01 00 00 C0 65 F9 96 F3 01 00 00
{256} normal block at 0x000001F396FB1A60, 16 bytes long.
Data: <09 > 30 39 FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F396FB21E0, 16 bytes long.
Data: < 9 > 08 39 FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F396FAD790, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001F396FB2460, 16 bytes long.
Data: < 8 > E0 38 FB 96 F3 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001F396FB38E0, 992 bytes long.
Data: <`$ > 60 24 FB 96 F3 01 00 00 90 D7 FA 96 F3 01 00 00
{88} normal block at 0x000001F396FAD7F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001F396FA6E20, 16 bytes long.
Data: < > A0 B8 FA 96 F3 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001F396FAB8A0, 40 bytes long.
Data: < n > 20 6E FA 96 F3 01 00 00 F0 D7 FA 96 F3 01 00 00
{65} normal block at 0x000001F396FA70F0, 16 bytes long.
Data: < > 80 EA AC AB F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F396FA67E0, 16 bytes long.
Data: <@ > 40 E9 AC AB F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F396FA7370, 16 bytes long.
Data: < W > F8 57 A9 AB F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F396FA6C90, 16 bytes long.
Data: < W > D8 57 A9 AB F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F396FA6E70, 16 bytes long.
Data: <P > 50 04 A9 AB F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F396FA6920, 16 bytes long.
Data: <0 > 30 04 A9 AB F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F396FA6790, 16 bytes long.
Data: < > E0 02 A9 AB F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F396FA6BF0, 16 bytes long.
Data: < > 10 04 A9 AB F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F396FA7460, 16 bytes long.
Data: <p > 70 04 A9 AB F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F396FA6830, 16 bytes long.
Data: < > 18 C0 A7 AB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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