Task 38684313

Name test_308-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3323_0
Workunit 31625832
Created 27 Oct 2026, 15:46:55 UTC
Sent 27 Oct 2026, 15:46:56 UTC
Report deadline 1 Nov 2026, 15:46:56 UTC
Received 27 Oct 2026, 15:53:47 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 36 sec
CPU time 4 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 115.95 MB
Peak swap size 5.94 GB
Peak disk usage 2.94 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>
16:49:06 (15772): wrapper (7.9.26016): starting
16:49:07 (15772): 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
16:49:10 (15772): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:49:10 (15772): 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\8\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\8\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\8\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\8\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\8\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
    self._openmm_worker_body()
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
    self.ommsystem.create_system()
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
    self.load_system()
  File "D:\BOINC\slots\8\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
    self.system = XmlSerializer.deserialize(input.read())
                  ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\8\Lib\site-packages\openmm\openmm.py", line 19621, in deserialize
    return XmlSerializer.deserializeSystem(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "D:\BOINC\slots\8\Lib\site-packages\openmm\openmm.py", line 19530, in deserializeSystem
    return _openmm.XmlSerializer_deserializeSystem(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
16:49:43 (15772): C:/Windows/system32/cmd.exe exited; CPU time 4.390625
16:49:43 (15772): app exit status: 0x16
16:49:43 (15772): 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: 570591 bytes.
Dumping objects ->
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{3835197} normal block at 0x0000021A697A42B0, 32 bytes long.
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{3835186} normal block at 0x0000021A697A4010, 32 bytes long.
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{3835144} normal block at 0x0000021A697F4230, 141 bytes long.
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{279} normal block at 0x0000021A67A8A8F0, 48 bytes long.
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{278} normal block at 0x0000021A67A92AD0, 16 bytes long.
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{277} normal block at 0x0000021A67A8C860, 32 bytes long.
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{276} normal block at 0x0000021A67A92DF0, 16 bytes long.
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{270} normal block at 0x0000021A67A92E90, 16 bytes long.
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{268} normal block at 0x0000021A67A92530, 16 bytes long.
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{59} normal block at 0x0000021A67A85DB0, 16 bytes long.
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{58} normal block at 0x0000021A67A86300, 16 bytes long.
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{57} normal block at 0x0000021A67A85BD0, 16 bytes long.
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{56} normal block at 0x0000021A67A86670, 16 bytes long.
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{55} normal block at 0x0000021A67A85D10, 16 bytes long.
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{54} normal block at 0x0000021A67A86940, 16 bytes long.
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{53} normal block at 0x0000021A67A86530, 16 bytes long.
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{52} normal block at 0x0000021A67A86440, 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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