Task 38698662

Name test_511-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND5604_0
Workunit 31639164
Created 2 Nov 2026, 21:42:33 UTC
Sent 2 Nov 2026, 21:42:35 UTC
Report deadline 7 Nov 2026, 21:42:35 UTC
Received 3 Nov 2026, 15:48:39 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 621706
Run time 2 min 39 sec
CPU time 32 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 22,721.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 404.99 MB
Peak swap size 9.05 GB
Peak disk usage 1.47 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>
10:45:24 (49260): wrapper (7.9.26016): starting
10:45:24 (49260): 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
10:45:25 (49260): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:45:25 (49260): 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 229, in _openmm_worker_makecontext
    self.platform = Platform.getPlatformByName(self.platform_name)
                    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
    return _openmm.Platform_getPlatformByName(name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
10:46:32 (49260): C:/Windows/system32/cmd.exe exited; CPU time 32.562500
10:46:32 (49260): app exit status: 0x16
10:46:32 (49260): 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: 1488257 bytes.
Dumping objects ->
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{3835365} normal block at 0x00000207F5A07550, 48 bytes long.
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{3835343} normal block at 0x00000207F5A078D0, 48 bytes long.
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{287} normal block at 0x00000207F3C4EDF0, 32 bytes long.
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{283} normal block at 0x00000207F3C56600, 16 bytes long.
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{281} normal block at 0x00000207F3C56420, 16 bytes long.
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{279} normal block at 0x00000207F3C4E8B0, 32 bytes long.
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{278} normal block at 0x00000207F3C558E0, 16 bytes long.
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{276} normal block at 0x00000207F3C563D0, 16 bytes long.
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{275} normal block at 0x00000207F3C55750, 16 bytes long.
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{274} normal block at 0x00000207F3C4EB50, 32 bytes long.
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{273} normal block at 0x00000207F3C55930, 16 bytes long.
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{272} normal block at 0x00000207F3C4E790, 32 bytes long.
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{270} normal block at 0x00000207F3C55B60, 16 bytes long.
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{269} normal block at 0x00000207F3C55BB0, 16 bytes long.
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{261} normal block at 0x00000207F3C506D0, 16 bytes long.
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{260} normal block at 0x00000207F3C4E670, 32 bytes long.
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{259} normal block at 0x00000207F3C4FFA0, 16 bytes long.
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{93} normal block at 0x00000207F3C4F870, 16 bytes long.
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{71} normal block at 0x00000207F3C50630, 16 bytes long.
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{70} normal block at 0x00000207F3C50130, 16 bytes long.
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{69} normal block at 0x00000207F3C4FF50, 16 bytes long.
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{68} normal block at 0x00000207F3C4FF00, 16 bytes long.
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{67} normal block at 0x00000207F3C50680, 16 bytes long.
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{66} normal block at 0x00000207F3C501D0, 16 bytes long.
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{65} normal block at 0x00000207F3C4FAF0, 16 bytes long.
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{64} normal block at 0x00000207F3C50540, 16 bytes long.
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{63} normal block at 0x00000207F3C50090, 16 bytes long.
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{62} normal block at 0x00000207F3C4FDC0, 16 bytes long.
 Data: < &#192; &#222;&#246;           > 18 C0 04 DE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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