Task 38668542

Name test_203-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4376_1
Workunit 31610997
Created 25 Oct 2026, 12:04:10 UTC
Sent 25 Oct 2026, 12:04:24 UTC
Report deadline 30 Oct 2026, 12:04:24 UTC
Received 25 Oct 2026, 12:15:22 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 585156
Run time 8 min 41 sec
CPU time 5 min 42 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.73 MB
Peak swap size 6.37 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:06:59 (23028): wrapper (7.9.26016): starting
13:06:59 (23028): 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
13:07:02 (23028): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:07:02 (23028): 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\6\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\6\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\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\6\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\6\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\6\Lib\site-packages\openmm\openmm.py", line 5022, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
13:14:08 (23028): C:/Windows/system32/cmd.exe exited; CPU time 342.265625
13:14:08 (23028): app exit status: 0x16
13:14:08 (23028): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 9494525 bytes.
Dumping objects ->
{3835244} normal block at 0x0000027A165A7390, 48 bytes long.
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{3835233} normal block at 0x0000027A165A7240, 48 bytes long.
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{3835222} normal block at 0x0000027A165A6980, 48 bytes long.
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{3835211} normal block at 0x0000027A165A6FA0, 48 bytes long.
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{3835200} normal block at 0x0000027A165A6830, 48 bytes long.
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{3835169} normal block at 0x0000027A165A82B0, 64 bytes long.
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{3835158} normal block at 0x0000027A180BDE20, 102 bytes long.
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..\api\boinc_api.cpp(309) : {3835155} normal block at 0x0000027A16577840, 8 bytes long.
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{3834549} normal block at 0x0000027A180BE3A0, 102 bytes long.
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{3833965} normal block at 0x0000027A16577520, 8 bytes long.
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..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000027A16581D20, 260 bytes long.
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{299} normal block at 0x0000027A165660C0, 80 bytes long.
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{298} normal block at 0x0000027A165834E0, 16 bytes long.
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{296} normal block at 0x0000027A1657C530, 32 bytes long.
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{295} normal block at 0x0000027A16582EF0, 16 bytes long.
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{294} normal block at 0x0000027A16582EA0, 16 bytes long.
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{293} normal block at 0x0000027A16583620, 16 bytes long.
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{292} normal block at 0x0000027A165839E0, 16 bytes long.
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{291} normal block at 0x0000027A1657DC10, 48 bytes long.
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{290} normal block at 0x0000027A165838A0, 16 bytes long.
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{289} normal block at 0x0000027A1657BB70, 32 bytes long.
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{288} normal block at 0x0000027A16582E50, 16 bytes long.
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{286} normal block at 0x0000027A16583260, 16 bytes long.
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{285} normal block at 0x0000027A16582E00, 16 bytes long.
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{284} normal block at 0x0000027A16582FE0, 16 bytes long.
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{283} normal block at 0x0000027A165833A0, 16 bytes long.
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{282} normal block at 0x0000027A16582C70, 16 bytes long.
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{281} normal block at 0x0000027A1657C230, 32 bytes long.
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{280} normal block at 0x0000027A165836C0, 16 bytes long.
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{279} normal block at 0x0000027A1657D7B0, 320 bytes long.
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{278} normal block at 0x0000027A16583490, 16 bytes long.
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{277} normal block at 0x0000027A16583530, 16 bytes long.
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{276} normal block at 0x0000027A1657C7D0, 32 bytes long.
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{275} normal block at 0x0000027A16583120, 16 bytes long.
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{274} normal block at 0x0000027A1657C890, 32 bytes long.
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{273} normal block at 0x0000027A16583210, 16 bytes long.
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{272} normal block at 0x0000027A16583940, 16 bytes long.
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{271} normal block at 0x0000027A16583350, 16 bytes long.
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{270} normal block at 0x0000027A16582D60, 16 bytes long.
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{269} normal block at 0x0000027A165838F0, 16 bytes long.
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{268} normal block at 0x0000027A16583670, 16 bytes long.
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{266} normal block at 0x0000027A16583850, 16 bytes long.
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{265} normal block at 0x0000027A1657DC80, 40 bytes long.
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{264} normal block at 0x0000027A16583080, 16 bytes long.
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{263} normal block at 0x0000027A16583B70, 16 bytes long.
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{262} normal block at 0x0000027A1657BED0, 32 bytes long.
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{261} normal block at 0x0000027A16583800, 16 bytes long.
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{260} normal block at 0x0000027A16584030, 992 bytes long.
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{96} normal block at 0x0000027A1657BD50, 32 bytes long.
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{95} normal block at 0x0000027A16577B60, 16 bytes long.
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{94} normal block at 0x0000027A1657DBA0, 40 bytes long.
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{73} normal block at 0x0000027A16576D50, 16 bytes long.
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{72} normal block at 0x0000027A16576F30, 16 bytes long.
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{71} normal block at 0x0000027A16577160, 16 bytes long.
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{70} normal block at 0x0000027A16577110, 16 bytes long.
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{69} normal block at 0x0000027A16577340, 16 bytes long.
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{68} normal block at 0x0000027A165779D0, 16 bytes long.
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{67} normal block at 0x0000027A165770C0, 16 bytes long.
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{66} normal block at 0x0000027A165776B0, 16 bytes long.
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{65} normal block at 0x0000027A165772F0, 16 bytes long.
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{64} normal block at 0x0000027A16576DA0, 16 bytes long.
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Object dump complete.

</stderr_txt>
]]>


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