Task 38668801

Name test_428-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8580_0
Workunit 31611241
Created 25 Oct 2026, 12:49:26 UTC
Sent 25 Oct 2026, 12:49:28 UTC
Report deadline 30 Oct 2026, 12:49:28 UTC
Received 25 Oct 2026, 12:53:24 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652307
Run time 2 min 25 sec
CPU time 53 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,409.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 627.07 MB
Peak swap size 9.48 GB
Peak disk usage 1.47 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
(null) nelze spustit.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:51:27 (18988): wrapper (7.9.26016): starting
13:51:27 (18988): 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
13:51:29 (18988): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:51:29 (18988): 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.
  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.
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:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\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 "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\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 "C:\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 "C:\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
13:53:03 (18988): C:/Windows/system32/cmd.exe exited; CPU time 53.015625
13:53:03 (18988): app exit status: 0x16
13:53:03 (18988): 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: 1234359 bytes.
Dumping objects ->
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{277} normal block at 0x000001FDAB7A4D10, 16 bytes long.
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{271} normal block at 0x000001FDAB7A4A40, 16 bytes long.
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{266} normal block at 0x000001FDAB7A44F0, 16 bytes long.
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{65} normal block at 0x000001FDAB79E820, 16 bytes long.
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{64} normal block at 0x000001FDAB79E2D0, 16 bytes long.
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{63} normal block at 0x000001FDAB79DBF0, 16 bytes long.
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{62} normal block at 0x000001FDAB79EAA0, 16 bytes long.
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{61} normal block at 0x000001FDAB79DBA0, 16 bytes long.
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{60} normal block at 0x000001FDAB79DB50, 16 bytes long.
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{59} normal block at 0x000001FDAB79DDD0, 16 bytes long.
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{58} normal block at 0x000001FDAB79E370, 16 bytes long.
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Object dump complete.

</stderr_txt>
]]>


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