Task 38675272
| Name | test_138-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND3367_0 |
| Workunit | 31617250 |
| Created | 26 Oct 2026, 7:46:44 UTC |
| Sent | 26 Oct 2026, 7:46:47 UTC |
| Report deadline | 31 Oct 2026, 7:46:47 UTC |
| Received | 26 Oct 2026, 8:02:07 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 654946 |
| Run time | 1 min 55 sec |
| CPU time | 3 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,147.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 57.98 MB |
| Peak swap size | 43.80 MB |
| Peak disk usage | 3.92 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:57:21 (11100): wrapper (7.9.26016): starting
08:57:21 (11100): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
08:57:24 (11100): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:57:24 (11100): 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:\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:\boinc\slots\0\Lib\site-packages\pip (python 3.11)
Collecting setuptools
Obtaining dependency information for setuptools from https://files.pythonhosted.org/packages/ef/55/6dc6d6bb953bdfc52519a0059592c52b6e3b8ad51cf8256dffceb55b0610/setuptools-84.2.1-py3-none-any.whl.metadata
Downloading setuptools-84.2.1-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/da/f5/54538a1f17ea753c42b0928dc2e62986d463f8c393340b9a1e602f2d4dd9/setuptools_scm-10.3.4-py3-none-any.whl.metadata
Downloading setuptools_scm-10.3.4-py3-none-any.whl.metadata (6.7 kB)
Collecting vcs-versioning<3,>=2.5.0.dev0 (from setuptools-scm>=8)
Obtaining dependency information for vcs-versioning<3,>=2.5.0.dev0 from https://files.pythonhosted.org/packages/73/1d/ad4064bf12f4503bf61e65d74c93c523672776d25ee0a06aaf42ae09ef3f/vcs_versioning-2.6.0-py3-none-any.whl.metadata
Downloading vcs_versioning-2.6.0-py3-none-any.whl.metadata (1.7 kB)
Collecting packaging>=20 (from setuptools-scm>=8)
Obtaining dependency information for packaging>=20 from https://files.pythonhosted.org/packages/63/34/ba1c580383c9eada3711951fef0795c80b829a078d72188184bcab9dd527/packaging-26.3-py3-none-any.whl.metadata
Downloading packaging-26.3-py3-none-any.whl.metadata (3.5 kB)
Downloading setuptools-84.2.1-py3-none-any.whl (876 kB)
-------------------------------------- 876.3/876.3 kB 958.1 kB/s eta 0:00:00
Downloading setuptools_scm-10.3.4-py3-none-any.whl (33 kB)
Downloading packaging-26.3-py3-none-any.whl (129 kB)
Downloading vcs_versioning-2.6.0-py3-none-any.whl (123 kB)
Installing collected packages: setuptools, packaging, vcs-versioning, setuptools-scm
Creating C:\boinc\slots\0\pip-build-env-qboiy5b6\overlay\Scripts
Successfully installed packaging-26.3 setuptools-84.2.1 setuptools-scm-10.3.4 vcs-versioning-2.6.0
Running command Getting requirements to build wheel
C:\boinc\slots\0\pip-build-env-qboiy5b6\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:236: UserWarning: version of None already set
warnings.warn(f"version of {self.dist_name} already set")
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
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:\boinc\slots\0\pip-build-env-qboiy5b6\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:236: UserWarning: version of None already set
warnings.warn(f"version of {self.dist_name} already set")
running dist_info
creating C:\boinc\slots\0\pip-modern-metadata-rssse7ze\atom_openmm.egg-info
writing C:\boinc\slots\0\pip-modern-metadata-rssse7ze\atom_openmm.egg-info\PKG-INFO
writing dependency_links to C:\boinc\slots\0\pip-modern-metadata-rssse7ze\atom_openmm.egg-info\dependency_links.txt
writing entry points to C:\boinc\slots\0\pip-modern-metadata-rssse7ze\atom_openmm.egg-info\entry_points.txt
writing requirements to C:\boinc\slots\0\pip-modern-metadata-rssse7ze\atom_openmm.egg-info\requires.txt
writing top-level names to C:\boinc\slots\0\pip-modern-metadata-rssse7ze\atom_openmm.egg-info\top_level.txt
writing manifest file 'C:\boinc\slots\0\pip-modern-metadata-rssse7ze\atom_openmm.egg-info\SOURCES.txt'
reading manifest file 'C:\boinc\slots\0\pip-modern-metadata-rssse7ze\atom_openmm.egg-info\SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
writing manifest file 'C:\boinc\slots\0\pip-modern-metadata-rssse7ze\atom_openmm.egg-info\SOURCES.txt'
creating 'C:\boinc\slots\0\pip-modern-metadata-rssse7ze\atom_openmm-8.4.0.dist-info'
Running command Building wheel for atom-openmm (pyproject.toml)
C:\boinc\slots\0\pip-build-env-qboiy5b6\overlay\Lib\site-packages\setuptools_scm\_integration\version_inference.py:236: UserWarning: version of None already set
warnings.warn(f"version of {self.dist_name} already set")
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
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:\\boinc\\slots\\0\\pip-wheel-aq7cd8z6\\.tmp-ubxx6i64\\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:\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.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "C:\boinc\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\boinc\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 10, in rbfe_production
from atom_openmm.openmm_async_re import openmm_job_RBFE
File "C:\boinc\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 10, in <module>
import openmm as mm
File "C:\boinc\slots\0\Lib\site-packages\openmm\__init__.py", line 24, in <module>
from openmm.openmm import *
File "C:\boinc\slots\0\Lib\site-packages\openmm\openmm.py", line 10, in <module>
from . import _openmm
ImportError: DLL load failed while importing _openmm: Une stratégie de contrôle d’application a bloqué ce fichier.
08:57:58 (11100): C:/Windows/system32/cmd.exe exited; CPU time 3.890625
08:57:58 (11100): app exit status: 0x16
08:57:58 (11100): called boinc_finish(195)
0 bytes in 0 Free Blocks.
380 bytes in 8 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: 528325 bytes.
Dumping objects ->
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{253} normal block at 0x000002A21C709FB0, 16 bytes long.
Data: < ¬p ¢ > 00 AC 70 1C A2 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002A21C70A0A0, 16 bytes long.
Data: <Ø«p ¢ > D8 AB 70 1C A2 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000002A21C703DB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x000002A21C709DD0, 16 bytes long.
Data: <°«p ¢ > B0 AB 70 1C A2 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000002A21C70ABB0, 992 bytes long.
Data: <Ð p ¢ °=p ¢ > D0 9D 70 1C A2 02 00 00 B0 3D 70 1C A2 02 00 00
{85} normal block at 0x000002A21C7044D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x000002A21C701270, 16 bytes long.
Data: <àšp ¢ > E0 9A 70 1C A2 02 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000002A21C709AE0, 40 bytes long.
Data: <p p ¢ ÐDp ¢ > 70 12 70 1C A2 02 00 00 D0 44 70 1C A2 02 00 00
{62} normal block at 0x000002A21C7014A0, 16 bytes long.
Data: < ꬌ÷ > 80 EA AC 8C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002A21C700EB0, 16 bytes long.
Data: <@鬌÷ > 40 E9 AC 8C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002A21C7019A0, 16 bytes long.
Data: <øW©Œ÷ > F8 57 A9 8C F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002A21C701310, 16 bytes long.
Data: <ØW©Œ÷ > D8 57 A9 8C F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002A21C701040, 16 bytes long.
Data: <P ©Œ÷ > 50 04 A9 8C F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002A21C701810, 16 bytes long.
Data: <0 ©Œ÷ > 30 04 A9 8C F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002A21C701950, 16 bytes long.
Data: <à ©Œ÷ > E0 02 A9 8C F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002A21C7011D0, 16 bytes long.
Data: < ©Œ÷ > 10 04 A9 8C F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002A21C700E60, 16 bytes long.
Data: <p ©Œ÷ > 70 04 A9 8C F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000002A21C700E10, 16 bytes long.
Data: < À§Œ÷ > 18 C0 A7 8C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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