Task 38658239

Name test_851-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5165_0
Workunit 31601832
Created 24 Oct 2026, 12:28:05 UTC
Sent 24 Oct 2026, 13:12:59 UTC
Report deadline 29 Oct 2026, 13:12:59 UTC
Received 24 Oct 2026, 16:16:41 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 654071
Run time 29 min 12 sec
CPU time 25 min 24 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 2,933.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.65 MB
Peak swap size 2.20 GB
Peak disk usage 3.84 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
System operacyjny nie mo�e uruchomi� (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:37:21 (12968): wrapper (7.9.26016): starting
15:37:21 (12968): 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
15:37:23 (12968): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:37:23 (12968): 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\7\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\7\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.
16:02:10 (19196): wrapper (7.9.26016): starting
16:02:10 (19196): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\7\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
17:20:18 (10144): wrapper (7.9.26016): starting
17:20:18 (10144): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\7\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
18:14:41 (6480): wrapper (7.9.26016): starting
18:14:41 (6480): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\7\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
    replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
              ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
    return XmlSerializer._deserializeState(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\openmm\openmm.py", line 19590, in _deserializeState
    return _openmm.XmlSerializer__deserializeState(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Unknown property 'z' in node '
		'

During handling of the above exception, another exception occurred:

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\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
    stateid = self.status[repl]['stateid_current']
              ^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
    return object.__getattribute__(self,name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'status'
18:16:03 (6480): C:/Windows/system32/cmd.exe exited; CPU time 29.656250
18:16:03 (6480): app exit status: 0x16
18:16:03 (6480): 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: 1030648 bytes.
Dumping objects ->
{1593} normal block at 0x0000017EC5612620, 48 bytes long.
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{1582} normal block at 0x0000017EC56120E0, 48 bytes long.
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{1571} normal block at 0x0000017EC5612230, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1560} normal block at 0x0000017EC5612540, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1549} normal block at 0x0000017EC56124D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1518} normal block at 0x0000017EC55F0810, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1504} normal block at 0x0000017EC5616FB0, 8 bytes long.
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{298} normal block at 0x0000017EC5617AA0, 8 bytes long.
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{289} normal block at 0x0000017EC5600530, 80 bytes long.
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{288} normal block at 0x0000017EC5617370, 16 bytes long.
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{287} normal block at 0x0000017EC5617320, 16 bytes long.
 Data: <P a ~           > 50 83 61 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017EC5610B30, 32 bytes long.
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{285} normal block at 0x0000017EC56172D0, 16 bytes long.
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{284} normal block at 0x0000017EC5617280, 16 bytes long.
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{283} normal block at 0x0000017EC5616E70, 16 bytes long.
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{282} normal block at 0x0000017EC56175F0, 16 bytes long.
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{281} normal block at 0x0000017EC56121C0, 48 bytes long.
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{280} normal block at 0x0000017EC5616E20, 16 bytes long.
 Data: <  _ ~           > 18 D5 5F C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017EC5610590, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000017EC5617230, 16 bytes long.
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{276} normal block at 0x0000017EC5617640, 16 bytes long.
 Data: <  _ ~           > C8 D4 5F C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017EC5616C90, 16 bytes long.
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{274} normal block at 0x0000017EC5616DD0, 16 bytes long.
 Data: <x _ ~           > 78 D4 5F C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017EC56175A0, 16 bytes long.
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{272} normal block at 0x0000017EC5617820, 16 bytes long.
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{271} normal block at 0x0000017EC5610EF0, 32 bytes long.
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{270} normal block at 0x0000017EC5617960, 16 bytes long.
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{269} normal block at 0x0000017EC55FD400, 320 bytes long.
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{268} normal block at 0x0000017EC5616CE0, 16 bytes long.
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{267} normal block at 0x0000017EC56171E0, 16 bytes long.
 Data: <h a ~           > 68 82 61 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017EC5610A10, 32 bytes long.
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{265} normal block at 0x0000017EC5616F60, 16 bytes long.
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{264} normal block at 0x0000017EC56109B0, 32 bytes long.
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{263} normal block at 0x0000017EC5617190, 16 bytes long.
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{262} normal block at 0x0000017EC56170F0, 16 bytes long.
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{261} normal block at 0x0000017EC5617BE0, 16 bytes long.
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{260} normal block at 0x0000017EC5617B90, 16 bytes long.
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{259} normal block at 0x0000017EC5617460, 16 bytes long.
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{258} normal block at 0x0000017EC5616F10, 16 bytes long.
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{256} normal block at 0x0000017EC5617550, 16 bytes long.
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{255} normal block at 0x0000017EC5612150, 40 bytes long.
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{254} normal block at 0x0000017EC5617B40, 16 bytes long.
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{253} normal block at 0x0000017EC5617A00, 16 bytes long.
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{252} normal block at 0x0000017EC5610890, 32 bytes long.
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{251} normal block at 0x0000017EC5617A50, 16 bytes long.
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{250} normal block at 0x0000017EC5618050, 992 bytes long.
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{86} normal block at 0x0000017EC5610470, 32 bytes long.
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{85} normal block at 0x0000017EC560B9A0, 16 bytes long.
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{84} normal block at 0x0000017EC5612070, 40 bytes long.
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{63} normal block at 0x0000017EC560B400, 16 bytes long.
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{62} normal block at 0x0000017EC560B3B0, 16 bytes long.
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{61} normal block at 0x0000017EC560BE00, 16 bytes long.
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{60} normal block at 0x0000017EC560B950, 16 bytes long.
 Data: < W              > D8 57 E3 B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017EC560BCC0, 16 bytes long.
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{58} normal block at 0x0000017EC560BC70, 16 bytes long.
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{57} normal block at 0x0000017EC560B360, 16 bytes long.
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{56} normal block at 0x0000017EC560BD10, 16 bytes long.
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{55} normal block at 0x0000017EC560BC20, 16 bytes long.
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{54} normal block at 0x0000017EC560B2C0, 16 bytes long.
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Object dump complete.

</stderr_txt>
]]>


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