Task 38682370

Name test_63-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND3110_0
Workunit 31623987
Created 27 Oct 2026, 7:32:10 UTC
Sent 27 Oct 2026, 7:32:20 UTC
Report deadline 1 Nov 2026, 7:32:20 UTC
Received 27 Oct 2026, 7:52:58 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 602698
Run time 2 min 57 sec
CPU time 9 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 7,952.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 407.40 MB
Peak swap size 6.25 GB
Peak disk usage 1.49 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:37:49 (5832): wrapper (7.9.26016): starting
08:37:49 (5832): 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
08:37:52 (5832): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:37:52 (5832): 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 'D:\BOINC\slots\4\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 'D:\BOINC\slots\4\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 "D:\BOINC\slots\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
    self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "D:\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
    self._openmm_worker_body()
  File "D:\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
    self.ommsystem.create_system()
  File "D:\BOINC\slots\4\Lib\site-packages\atom_openmm\ommsystem.py", line 889, in create_system
    self.set_atmforce()
  File "D:\BOINC\slots\4\Lib\site-packages\atom_openmm\ommsystem.py", line 853, in set_atmforce
    self.add_forces_to_atmforce()
  File "D:\BOINC\slots\4\Lib\site-packages\atom_openmm\ommsystem.py", line 236, in add_forces_to_atmforce
    self.atmforce.addForce(copy.copy(self.system.getForce(i)))
                           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\4\Lib\copy.py", line 84, in copy
    return copier(x)
           ^^^^^^^^^
  File "D:\BOINC\slots\4\Lib\site-packages\openmm\openmm.py", line 1525, in __copy__
    duplicate = XmlSerializer.clone(self)
                ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\4\Lib\site-packages\openmm\openmm.py", line 19640, in clone
    return XmlSerializer._cloneForce(object)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\4\Lib\site-packages\openmm\openmm.py", line 19550, in _cloneForce
    return _openmm.XmlSerializer__cloneForce(object)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
08:38:35 (5832): C:/Windows/system32/cmd.exe exited; CPU time 9.562500
08:38:35 (5832): app exit status: 0x16
08:38:35 (5832): called boinc_finish(195)
0 bytes in 0 Free Blocks.
458 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: 779713 bytes.
Dumping objects ->
{3835229} normal block at 0x0000029C67581330, 48 bytes long.
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{3835154} normal block at 0x0000029C67580920, 48 bytes long.
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{3835143} normal block at 0x0000029C67774F30, 141 bytes long.
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..\api\boinc_api.cpp(309) : {3835140} normal block at 0x0000029C65AF5EF0, 8 bytes long.
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{283} normal block at 0x0000029C65B02B20, 16 bytes long.
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{282} normal block at 0x0000029C65B02620, 16 bytes long.
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{281} normal block at 0x0000029C65B02F30, 16 bytes long.
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{280} normal block at 0x0000029C65B02E90, 16 bytes long.
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{279} normal block at 0x0000029C65AFAFF0, 48 bytes long.
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{278} normal block at 0x0000029C65B023A0, 16 bytes long.
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{276} normal block at 0x0000029C65B02D00, 16 bytes long.
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{274} normal block at 0x0000029C65B024E0, 16 bytes long.
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{273} normal block at 0x0000029C65B023F0, 16 bytes long.
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{59} normal block at 0x0000029C65AF5C20, 16 bytes long.
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{58} normal block at 0x0000029C65AF6530, 16 bytes long.
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{57} normal block at 0x0000029C65AF63A0, 16 bytes long.
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{56} normal block at 0x0000029C65AF5D60, 16 bytes long.
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{55} normal block at 0x0000029C65AF6710, 16 bytes long.
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{54} normal block at 0x0000029C65AF6850, 16 bytes long.
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{53} normal block at 0x0000029C65AF5D10, 16 bytes long.
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{52} normal block at 0x0000029C65AF67B0, 16 bytes long.
 Data: < &#192;l8&#247;           > 18 C0 6C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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