Task 38666973
| Name | test_766-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND4433_2 |
| Workunit | 31608122 |
| Created | 25 Oct 2026, 5:41:43 UTC |
| Sent | 25 Oct 2026, 5:43:32 UTC |
| Report deadline | 30 Oct 2026, 5:43:32 UTC |
| Received | 25 Oct 2026, 5:56:16 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652570 |
| Run time | 3 min 35 sec |
| CPU time | 52 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,454.81 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 458.32 MB |
| Peak swap size | 4.79 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:52:59 (15048): wrapper (7.9.26016): starting
05:52:59 (15048): 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
05:53:01 (15048): Library/usr/bin/tar.exe exited; CPU time 0.031250
05:53:01 (15048): 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 'E:\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: 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 'E:\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.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "E:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 251, in _openmm_worker_makecontext
self.simulation = Simulation(self.topology, self.system, self.integrator, self.platform, self.platform_properties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "E:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error initializing CUDA: CUDA_ERROR_INVALID_VALUE (1) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
05:54:41 (15048): C:/Windows/system32/cmd.exe exited; CPU time 52.718750
05:54:41 (15048): app exit status: 0x16
05:54:41 (15048): called boinc_finish(195)
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: 1329977 bytes.
Dumping objects ->
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{3835170} normal block at 0x000001E342077690, 48 bytes long.
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{3835159} normal block at 0x000001E342077AF0, 48 bytes long.
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{3835148} normal block at 0x000001E342077930, 48 bytes long.
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{3835137} normal block at 0x000001E342078490, 48 bytes long.
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{3835106} normal block at 0x000001E343A7E510, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835093} normal block at 0x000001E342046730, 8 bytes long.
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{3833951} normal block at 0x000001E3420471D0, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001E342053360, 260 bytes long.
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{278} normal block at 0x000001E3420548F0, 16 bytes long.
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{277} normal block at 0x000001E342054B70, 16 bytes long.
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{273} normal block at 0x000001E3420545D0, 16 bytes long.
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{272} normal block at 0x000001E34204C4E0, 320 bytes long.
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{271} normal block at 0x000001E342054620, 16 bytes long.
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{270} normal block at 0x000001E342054300, 16 bytes long.
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{268} normal block at 0x000001E342054350, 16 bytes long.
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{261} normal block at 0x000001E3420544E0, 16 bytes long.
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{259} normal block at 0x000001E3420548A0, 16 bytes long.
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{258} normal block at 0x000001E34204B8C0, 40 bytes long.
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{257} normal block at 0x000001E342054A30, 16 bytes long.
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{89} normal block at 0x000001E34204D5E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001E342046CD0, 16 bytes long.
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{87} normal block at 0x000001E34204B7E0, 40 bytes long.
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{62} normal block at 0x000001E342046FF0, 16 bytes long.
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{57} normal block at 0x000001E3420467D0, 16 bytes long.
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Object dump complete.
</stderr_txt>
]]>
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