Task 38660817

Name test_380-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND8931_0
Workunit 31604287
Created 24 Oct 2026, 14:46:49 UTC
Sent 24 Oct 2026, 14:57:25 UTC
Report deadline 29 Oct 2026, 14:57:25 UTC
Received 24 Oct 2026, 15:11:03 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 632214
Run time 3 min 21 sec
CPU time 45 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 409.34 MB
Peak swap size 6.25 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:08:20 (47648): wrapper (7.9.26016): starting
08:08:20 (47648): 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
08:08:22 (47648): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:08:22 (47648): 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\7\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\7\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\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\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\7\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\7\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\7\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\7\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_NO_DEVICE (100) at D:\bld\openmm_1731112726020\work\platforms\cuda\src\CudaContext.cpp:92
08:09:43 (47648): C:/Windows/system32/cmd.exe exited; CPU time 45.078125
08:09:43 (47648): app exit status: 0x16
08:09:43 (47648): 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: 1467807 bytes.
Dumping objects ->
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{3835187} normal block at 0x0000017F79B211E0, 48 bytes long.
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{3835176} normal block at 0x0000017F79B20F40, 48 bytes long.
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{3835165} normal block at 0x0000017F79B216B0, 48 bytes long.
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{3835154} normal block at 0x0000017F79B21170, 48 bytes long.
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{3835123} normal block at 0x0000017F79BCC300, 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) : {3835110} normal block at 0x0000017F77FE6320, 8 bytes long.
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{3833951} normal block at 0x0000017F77FE63C0, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000017F77FF0780, 260 bytes long.
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{292} normal block at 0x0000017F77FD5FA0, 80 bytes long.
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{291} normal block at 0x0000017F77FF2620, 16 bytes long.
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{286} normal block at 0x0000017F77FF24E0, 16 bytes long.
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{285} normal block at 0x0000017F77FF2210, 16 bytes long.
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{284} normal block at 0x0000017F77FED170, 48 bytes long.
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{283} normal block at 0x0000017F77FF23F0, 16 bytes long.
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{282} normal block at 0x0000017F77FEB010, 32 bytes long.
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{281} normal block at 0x0000017F77FF2080, 16 bytes long.
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{279} normal block at 0x0000017F77FF23A0, 16 bytes long.
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{278} normal block at 0x0000017F77FF1F90, 16 bytes long.
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{277} normal block at 0x0000017F77FF2490, 16 bytes long.
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{276} normal block at 0x0000017F77FF1DB0, 16 bytes long.
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{275} normal block at 0x0000017F77FF21C0, 16 bytes long.
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{274} normal block at 0x0000017F77FEB4F0, 32 bytes long.
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{273} normal block at 0x0000017F77FF1B30, 16 bytes long.
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{271} normal block at 0x0000017F77FF1EF0, 16 bytes long.
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{269} normal block at 0x0000017F77FEBA90, 32 bytes long.
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{268} normal block at 0x0000017F77FF2350, 16 bytes long.
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{256} normal block at 0x0000017F77FF1A90, 16 bytes long.
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{255} normal block at 0x0000017F77FEB250, 32 bytes long.
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{254} normal block at 0x0000017F77FF1CC0, 16 bytes long.
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{253} normal block at 0x0000017F77FF3BE0, 992 bytes long.
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{89} normal block at 0x0000017F77FEAFB0, 32 bytes long.
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{87} normal block at 0x0000017F77FECDF0, 40 bytes long.
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{66} normal block at 0x0000017F77FE6DC0, 16 bytes long.
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{65} normal block at 0x0000017F77FE6140, 16 bytes long.
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{64} normal block at 0x0000017F77FE66E0, 16 bytes long.
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{63} normal block at 0x0000017F77FE6870, 16 bytes long.
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{62} normal block at 0x0000017F77FE64B0, 16 bytes long.
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{61} normal block at 0x0000017F77FE6910, 16 bytes long.
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{60} normal block at 0x0000017F77FE6460, 16 bytes long.
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{59} normal block at 0x0000017F77FE6690, 16 bytes long.
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{58} normal block at 0x0000017F77FE6EB0, 16 bytes long.
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{57} normal block at 0x0000017F77FE6280, 16 bytes long.
 Data: < &#192;G &#246;           > 18 C0 47 01 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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