Task 38598533

Name MCL1_A24_A14_r0_4-QUICO_ATM_GAFF2_NAGL_MCL1-1-6-RND5409_3
Workunit 31553692
Created 8 Apr 2026, 10:12:57 UTC
Sent 8 Apr 2026, 10:13:05 UTC
Report deadline 13 Apr 2026, 10:13:05 UTC
Received 8 Apr 2026, 10:43:10 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 648521
Run time 27 min 22 sec
CPU time 2 min 43 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 10,693.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 317.05 MB
Peak swap size 9.18 GB
Peak disk usage 2.88 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
06:16:43 (5732): wrapper (7.9.26016): starting
06:16:43 (5732): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A14_0.pdb
QB_A24_A14_0.xml
QB_A24_A14.inpcrd
QB_A24_A14_input.yaml
QB_A24_A14.pdb
QB_A24_A14.prmtop
QB_A24_A14_sys.xml
run.bat
run.sh
06:16:52 (5732): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:16:52 (5732): 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\25\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\25\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\25\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\25\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\25\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\25\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\slots\25\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\25\Lib\site-packages\openmm\openmm.py", line 17238, in getPlatformByName
    return _openmm.Platform_getPlatformByName(name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "CUDA"
06:41:40 (5732): C:/Windows/system32/cmd.exe exited; CPU time 163.765625
06:41:40 (5732): app exit status: 0x16
06:41:40 (5732): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 16257313 bytes.
Dumping objects ->
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{3835260} normal block at 0x000001834130DA50, 48 bytes long.
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{3835249} normal block at 0x000001834130DF90, 48 bytes long.
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{3835238} normal block at 0x000001834130E4D0, 48 bytes long.
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{3835207} normal block at 0x000001834317C8C0, 64 bytes long.
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{3835196} normal block at 0x00000183413415C0, 140 bytes long.
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{288} normal block at 0x00000183412EB510, 16 bytes long.
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{287} normal block at 0x00000183412E4C60, 48 bytes long.
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{286} normal block at 0x00000183412EAF20, 16 bytes long.
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{285} normal block at 0x00000183412E6810, 32 bytes long.
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{284} normal block at 0x00000183412EB3D0, 16 bytes long.
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{282} normal block at 0x00000183412EA980, 16 bytes long.
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{280} normal block at 0x00000183412EB290, 16 bytes long.
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{279} normal block at 0x00000183412EA890, 16 bytes long.
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{278} normal block at 0x00000183412EB380, 16 bytes long.
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{277} normal block at 0x00000183412E6030, 32 bytes long.
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{276} normal block at 0x00000183412EB240, 16 bytes long.
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{275} normal block at 0x00000183412D20F0, 320 bytes long.
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{273} normal block at 0x00000183412EB330, 16 bytes long.
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{272} normal block at 0x00000183412E5FD0, 32 bytes long.
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{271} normal block at 0x00000183412EB060, 16 bytes long.
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{270} normal block at 0x00000183412E68D0, 32 bytes long.
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{269} normal block at 0x00000183412EB5B0, 16 bytes long.
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{268} normal block at 0x00000183412EB1F0, 16 bytes long.
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{267} normal block at 0x00000183412EB1A0, 16 bytes long.
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{264} normal block at 0x00000183412EAB60, 16 bytes long.
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{262} normal block at 0x00000183412EA7F0, 16 bytes long.
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{261} normal block at 0x00000183412E4E90, 40 bytes long.
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{260} normal block at 0x00000183412EABB0, 16 bytes long.
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{259} normal block at 0x00000183412EAED0, 16 bytes long.
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{258} normal block at 0x00000183412E6510, 32 bytes long.
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{257} normal block at 0x00000183412EAA70, 16 bytes long.
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{256} normal block at 0x00000183412E56D0, 992 bytes long.
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{92} normal block at 0x00000183412E64B0, 32 bytes long.
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{91} normal block at 0x00000183412DFD80, 16 bytes long.
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{90} normal block at 0x00000183412E4B80, 40 bytes long.
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{69} normal block at 0x00000183412DF7E0, 16 bytes long.
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{68} normal block at 0x00000183412DF6F0, 16 bytes long.
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{67} normal block at 0x00000183412DF4C0, 16 bytes long.
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{66} normal block at 0x00000183412E0190, 16 bytes long.
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{65} normal block at 0x00000183412DF560, 16 bytes long.
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{64} normal block at 0x00000183412E0050, 16 bytes long.
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{63} normal block at 0x00000183412DF790, 16 bytes long.
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{62} normal block at 0x00000183412DFCE0, 16 bytes long.
 Data: <  &#192;&#213;&#246;           > 10 04 C0 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000183412DF9C0, 16 bytes long.
 Data: <p &#192;&#213;&#246;           > 70 04 C0 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000183412DF6A0, 16 bytes long.
 Data: < &#192;&#190;&#213;&#246;           > 18 C0 BE D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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