Task 38678166

Name test_364-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4325_0
Workunit 31620002
Created 26 Oct 2026, 16:34:01 UTC
Sent 26 Oct 2026, 16:34:09 UTC
Report deadline 31 Oct 2026, 16:34:09 UTC
Received 26 Oct 2026, 16:53:13 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 592498
Run time 17 min 1 sec
CPU time 12 min 20 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.32 MB
Peak swap size 8.28 GB
Peak disk usage 3.02 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>
10:35:57 (35032): wrapper (7.9.26016): starting
10:35:57 (35032): 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
10:36:01 (35032): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:36:04 (35032): 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\11\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\11\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\11\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
    (pos,vel) = job['openmm_worker'].get_posvel()
                ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
    state = self.context.getState(getPositions=True, getVelocities=True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\11\Lib\site-packages\openmm\openmm.py", line 5022, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
10:51:18 (35032): C:/Windows/system32/cmd.exe exited; CPU time 740.609375
10:51:18 (35032): app exit status: 0x16
10:51:18 (35032): 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: 20336933 bytes.
Dumping objects ->
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{3835172} normal block at 0x00000181412F0A70, 48 bytes long.
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{3835161} normal block at 0x00000181412F0990, 48 bytes long.
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{3835150} normal block at 0x00000181412F0840, 48 bytes long.
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{3835119} normal block at 0x000001814488F3F0, 64 bytes long.
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..\api\boinc_api.cpp(309) : {3835105} normal block at 0x00000181412EC700, 8 bytes long.
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{282} normal block at 0x00000181412F0A00, 48 bytes long.
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{281} normal block at 0x00000181412EC430, 16 bytes long.
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{280} normal block at 0x00000181412EB870, 32 bytes long.
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{279} normal block at 0x00000181412EC2F0, 16 bytes long.
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{277} normal block at 0x00000181412EC2A0, 16 bytes long.
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{276} normal block at 0x00000181412EC570, 16 bytes long.
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{275} normal block at 0x00000181412EC200, 16 bytes long.
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{274} normal block at 0x00000181412EC160, 16 bytes long.
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{273} normal block at 0x00000181412EC0C0, 16 bytes long.
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{272} normal block at 0x00000181412EB8D0, 32 bytes long.
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{271} normal block at 0x00000181412EC020, 16 bytes long.
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{270} normal block at 0x00000181412F0CF0, 320 bytes long.
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{269} normal block at 0x00000181412EBFD0, 16 bytes long.
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{268} normal block at 0x00000181412EBDA0, 16 bytes long.
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{267} normal block at 0x00000181412EB6F0, 32 bytes long.
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{260} normal block at 0x00000181412EBD00, 16 bytes long.
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{259} normal block at 0x00000181412EBCB0, 16 bytes long.
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{253} normal block at 0x00000181412EB2D0, 32 bytes long.
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{252} normal block at 0x00000181412EC660, 16 bytes long.
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{251} normal block at 0x00000181412F10D0, 992 bytes long.
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{86} normal block at 0x00000181412EBA30, 16 bytes long.
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{63} normal block at 0x00000181412EC070, 16 bytes long.
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{62} normal block at 0x00000181412EC340, 16 bytes long.
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{61} normal block at 0x00000181412E0160, 16 bytes long.
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{60} normal block at 0x00000181412E0110, 16 bytes long.
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{59} normal block at 0x00000181412E0070, 16 bytes long.
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{58} normal block at 0x00000181412E0890, 16 bytes long.
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{57} normal block at 0x00000181412DFE90, 16 bytes long.
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{56} normal block at 0x00000181412E0520, 16 bytes long.
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{55} normal block at 0x00000181412E04D0, 16 bytes long.
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Object dump complete.

</stderr_txt>
]]>


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