Task 38583046
| Name | PFKFB3_A06_A09_r0_5-QUICO_ATM_GAFF2_LOMAP_PFKFB3-3-5-RND6222_0 |
| Workunit | 31547250 |
| Created | 13 Dec 2025, 18:01:36 UTC |
| Sent | 13 Dec 2025, 18:01:39 UTC |
| Report deadline | 18 Dec 2025, 18:01:39 UTC |
| Received | 17 Dec 2025, 18:56:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 620032 |
| Run time | 1 days 5 hours 56 min 38 sec |
| CPU time | 1 days 5 hours 47 min 55 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,303.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 815.77 MB |
| Peak swap size | 8.52 GB |
| Peak disk usage | 3.71 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:01:40 (10700): wrapper (7.9.26016): starting
11:01:40 (10700): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A09_0.pdb
QB_A06_A09_0.xml
QB_A06_A09_equil.pdb
QB_A06_A09.inpcrd
QB_A06_A09_input.yaml
QB_A06_A09_mdlambda.pdb
QB_A06_A09_min.pdb
QB_A06_A09_npt.pdb
QB_A06_A09.pdb
QB_A06_A09.prmtop
QB_A06_A09_sys.xml
QB_A06_A09_therm.pdb
run.bat
run.sh
11:01:49 (10700): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:01:49 (10700): 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-30stwh6k\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-30stwh6k\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-30stwh6k\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-kdqpd5_5\atom_openmm.egg-info
writing C:\ProgramData\BOINC\slots\0\pip-modern-metadata-kdqpd5_5\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-kdqpd5_5\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-kdqpd5_5\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-kdqpd5_5\atom_openmm.egg-info\requires.txt
writing top-level names to C:\ProgramData\BOINC\slots\0\pip-modern-metadata-kdqpd5_5\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-kdqpd5_5\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-kdqpd5_5\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-kdqpd5_5\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\ProgramData\BOINC\slots\0\pip-modern-metadata-kdqpd5_5\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\ProgramData\BOINC\slots\0\pip-build-env-30stwh6k\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-_a9bzlmr\.tmp-bl_r7mw9\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) : {3835796} normal block at 0x00000264CE0712E0, 8 bytes long.
Data: < U d > 00 00 55 CE 64 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000264CFEA7B30, 1080 bytes long.
Data: <\g > 5C 67 00 00 CD CD CD CD 9C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000264CE066560, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:49:15 (55208): wrapper (7.9.26016): starting
14:49:15 (55208): 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) : {2142} normal block at 0x000001F5BDD36A40, 8 bytes long.
Data: < > 00 00 CB BD F5 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F5BDD36F20, 1080 bytes long.
Data: < > A4 DA 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
Object dump complete.
15:05:09 (48992): wrapper (7.9.26016): starting
15:05:09 (48992): 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) : {2142} normal block at 0x00000277B7DA57C0, 8 bytes long.
Data: < w > 00 00 19 B8 77 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000277B7DA6B50, 1080 bytes long.
Data: < n d > F8 6E 00 00 CD CD CD CD 64 00 00 00 00 00 00 00
Object dump complete.
16:46:44 (41628): wrapper (7.9.26016): starting
16:46:44 (41628): 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) : {2142} normal block at 0x0000025ADB345FE0, 8 bytes long.
Data: < Z > 00 00 85 DB 5A 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000025ADB346A10, 1080 bytes long.
Data: < > 04 D5 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
07:00:00 (54284): wrapper (7.9.26016): starting
07:00:00 (54284): 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) : {2142} normal block at 0x000002BDD15E6360, 8 bytes long.
Data: < > 00 00 C4 D1 BD 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002BDD15E6F20, 1080 bytes long.
Data: <h > 68 DC 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
Object dump complete.
12:56:37 (20720): wrapper (7.9.26016): starting
12:56:37 (20720): 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) : {2142} normal block at 0x0000026F975966D0, 8 bytes long.
Data: < o > 00 00 9A 97 6F 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000026F97596F20, 1080 bytes long.
Data: <`^ > 60 5E 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
13:03:50 (20372): wrapper (7.9.26016): starting
13:03:50 (20372): 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) : {2142} normal block at 0x0000021F39EC6660, 8 bytes long.
Data: < 9 > 00 00 E6 39 1F 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000021F39EC6E10, 1080 bytes long.
Data: < P > A4 50 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
Object dump complete.
15:31:06 (41484): wrapper (7.9.26016): starting
15:31:06 (41484): 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) : {2142} normal block at 0x000002DAB9276000, 8 bytes long.
Data: < i > 00 00 69 B9 DA 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002DAB9276F30, 1080 bytes long.
Data: <x > 78 C0 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
16:38:26 (23836): wrapper (7.9.26016): starting
16:38:26 (23836): 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) : {2142} normal block at 0x000001F8536A5EC0, 8 bytes long.
Data: < S > 00 00 B6 53 F8 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F8536A6F30, 1080 bytes long.
Data: < m > D0 6D 00 00 CD CD CD CD 98 01 00 00 00 00 00 00
Object dump complete.
16:59:17 (3120): wrapper (7.9.26016): starting
16:59:17 (3120): 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) : {2142} normal block at 0x000002639C9E6680, 8 bytes long.
Data: < c > 00 00 DF 9C 63 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002639C9E6F20, 1080 bytes long.
Data: < M > 8C 4D 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:35:31 (7672): wrapper (7.9.26016): starting
17:35:31 (7672): 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) : {2142} normal block at 0x000002174B095D70, 8 bytes long.
Data: < TK > 00 00 54 4B 17 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002174B096F20, 1080 bytes long.
Data: < > A8 94 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
Object dump complete.
17:55:26 (44720): wrapper (7.9.26016): starting
17:55:26 (44720): 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) : {2142} normal block at 0x000001D86A1C5D20, 8 bytes long.
Data: < mj > 00 00 6D 6A D8 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001D86A1C6F20, 1080 bytes long.
Data: <\ > 5C 87 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
18:05:37 (58168): wrapper (7.9.26016): starting
18:05:37 (58168): 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) : {2142} normal block at 0x000001C3D4536530, 8 bytes long.
Data: < > 00 00 F8 D5 C3 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001C3D4536B50, 1080 bytes long.
Data: < > D8 B6 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
18:10:23 (42744): wrapper (7.9.26016): starting
18:10:23 (42744): 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) : {2142} normal block at 0x00000283CB125AB0, 8 bytes long.
Data: < y > 00 00 79 CB 83 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000283CB126DA0, 1080 bytes long.
Data: <x > 78 D2 00 00 CD CD CD CD BC 01 00 00 00 00 00 00
Object dump complete.
08:00:32 (55420): wrapper (7.9.26016): starting
08:00:32 (55420): 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) : {2142} normal block at 0x000002CCEF646620, 8 bytes long.
Data: < > 00 00 CE EF CC 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002CCEF646B50, 1080 bytes long.
Data: <0, > 30 2C 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
10:30:48 (20796): wrapper (7.9.26016): starting
10:30:48 (20796): 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) : {2142} normal block at 0x000001F8A7D97800, 8 bytes long.
Data: < > 00 00 1A A8 F8 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001F8A7D97F10, 1080 bytes long.
Data: < > 20 DF 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
Object dump complete.
10:51:35 (49308): wrapper (7.9.26016): starting
10:51:35 (49308): 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) : {2142} normal block at 0x000002B60FD25BE0, 8 bytes long.
Data: < / > 00 00 2F 10 B6 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000002B60FD26F20, 1080 bytes long.
Data: < \ > D0 5C 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
Object dump complete.
13:36:55 (52928): wrapper (7.9.26016): starting
13:36:55 (52928): 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) : {2142} normal block at 0x000001CEE87A6590, 8 bytes long.
Data: < > 00 00 BB E8 CE 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001CEE87A6F20, 1080 bytes long.
Data: <t; > 74 3B 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
15:21:32 (11508): wrapper (7.9.26016): starting
15:21:32 (11508): 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) : {2142} normal block at 0x000001B3BED96230, 8 bytes long.
Data: < > 00 00 83 C0 B3 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001B3BED96F30, 1080 bytes long.
Data: < > 88 8A 00 00 CD CD CD CD B8 01 00 00 00 00 00 00
Object dump complete.
17:27:37 (60056): wrapper (7.9.26016): starting
17:27:37 (60056): 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) : {2143} normal block at 0x000001CF8AE1EC30, 8 bytes long.
Data: < A > 00 00 41 8B CF 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001CF8AE1FF20, 1080 bytes long.
Data: < > D4 E5 00 00 CD CD CD CD B4 00 00 00 00 00 00 00
Object dump complete.
20:49:35 (60120): wrapper (7.9.26016): starting
20:49:35 (60120): 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) : {2143} normal block at 0x0000024BDCF5FC00, 8 bytes long.
Data: < K > 00 00 EC DC 4B 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x0000024BDCF60B90, 1080 bytes long.
Data: <4 > 34 C3 00 00 CD CD CD CD CC 01 00 00 00 00 00 00
Object dump complete.
07:00:00 (10740): wrapper (7.9.26016): starting
07:00:00 (10740): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
08:56:01 (10740): C:/Windows/system32/cmd.exe exited; CPU time 6687.562500
08:56:01 (10740): 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: 136128584 bytes.
Dumping objects ->
{2231} normal block at 0x00000273679B9610, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2220} normal block at 0x00000273679B9680, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2209} normal block at 0x00000273679B97D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{2198} normal block at 0x00000273679B9370, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{2187} normal block at 0x00000273679B9290, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{2156} normal block at 0x00000273679AB800, 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) : {2143} normal block at 0x00000273679BF360, 8 bytes long.
Data: < gs > 00 00 DD 67 73 02 00 00
{306} normal block at 0x00000273679BF3B0, 8 bytes long.
Data: < gs > 20 FF 9B 67 73 02 00 00
{297} normal block at 0x00000273679A9CE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000273679BEB90, 16 bytes long.
Data: <( gs > 28 FE 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000273679BF180, 16 bytes long.
Data: < gs > 00 FE 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000273679BB970, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000273679BF810, 16 bytes long.
Data: < gs > D8 FD 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000273679BFA40, 16 bytes long.
Data: < gs > B0 FD 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000273679BF7C0, 16 bytes long.
Data: < gs > 88 FD 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000273679BF9A0, 16 bytes long.
Data: <` gs > 60 FD 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000273679B9300, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000273679BF720, 16 bytes long.
Data: <X gs > 58 AC 9A 67 73 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000273679BADD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000273679BF090, 16 bytes long.
Data: <0 gs > 30 AC 9A 67 73 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000273679BF220, 16 bytes long.
Data: < gs > 08 AC 9A 67 73 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000273679BF9F0, 16 bytes long.
Data: < gs > E0 AB 9A 67 73 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000273679BF040, 16 bytes long.
Data: < gs > B8 AB 9A 67 73 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000273679BEFA0, 16 bytes long.
Data: < gs > 90 AB 9A 67 73 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000273679BF950, 16 bytes long.
Data: <h gs > 68 AB 9A 67 73 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000273679BB130, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000273679BF630, 16 bytes long.
Data: <@ gs > 40 AB 9A 67 73 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000273679AAB40, 320 bytes long.
Data: <0 gs 0 gs > 30 F6 9B 67 73 02 00 00 30 B1 9B 67 73 02 00 00
{276} normal block at 0x00000273679BFA90, 16 bytes long.
Data: <@ gs > 40 FD 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000273679BF5E0, 16 bytes long.
Data: < gs > 18 FD 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000273679BB0D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000273679BEE60, 16 bytes long.
Data: < gs > F0 FC 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000273679BB4F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000273679BEF50, 16 bytes long.
Data: <8 gs > 38 FC 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000273679BF770, 16 bytes long.
Data: < gs > 10 FC 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000273679BEEB0, 16 bytes long.
Data: < gs > E8 FB 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000273679BF400, 16 bytes long.
Data: < gs > C0 FB 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000273679BF540, 16 bytes long.
Data: < gs > 98 FB 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000273679BEBE0, 16 bytes long.
Data: <p gs > 70 FB 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000273679BF310, 16 bytes long.
Data: < gs > F0 96 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000273679B96F0, 40 bytes long.
Data: < gs gs > 10 F3 9B 67 73 02 00 00 00 B8 9A 67 73 02 00 00
{262} normal block at 0x00000273679BF1D0, 16 bytes long.
Data: <P gs > 50 FB 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000273679BF860, 16 bytes long.
Data: <( gs > 28 FB 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000273679BB910, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000273679BF6D0, 16 bytes long.
Data: < gs > 00 FB 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000273679BFB00, 992 bytes long.
Data: < gs gs > D0 F6 9B 67 73 02 00 00 10 B9 9B 67 73 02 00 00
{94} normal block at 0x00000273679BB3D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000273679B31A0, 16 bytes long.
Data: < gs > A0 95 9B 67 73 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000273679B95A0, 40 bytes long.
Data: < 1 gs gs > A0 31 9B 67 73 02 00 00 D0 B3 9B 67 73 02 00 00
{71} normal block at 0x00000273679B2E30, 16 bytes long.
Data: < > 80 EA 8A D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000273679B2FC0, 16 bytes long.
Data: <@ > 40 E9 8A D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000273679B3470, 16 bytes long.
Data: < W > F8 57 87 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000273679B3100, 16 bytes long.
Data: < W > D8 57 87 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000273679B33D0, 16 bytes long.
Data: <P > 50 04 87 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000273679B2CA0, 16 bytes long.
Data: <0 > 30 04 87 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000273679B2DE0, 16 bytes long.
Data: < > E0 02 87 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000273679B3380, 16 bytes long.
Data: < > 10 04 87 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000273679B35B0, 16 bytes long.
Data: <p > 70 04 87 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000273679B36F0, 16 bytes long.
Data: < > 18 C0 85 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra