Task 38677023

Name test_1880-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND2441_4
Workunit 31605470
Created 26 Oct 2026, 13:01:36 UTC
Sent 26 Oct 2026, 13:01:41 UTC
Report deadline 31 Oct 2026, 13:01:41 UTC
Received 26 Oct 2026, 15:12:16 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652006
Run time 1 min 19 sec
CPU time 7 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 422.52 MB
Peak swap size 12.28 GB
Peak disk usage 1.49 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:10:09 (5824): wrapper (7.9.26016): starting
08:10:09 (5824): 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
08:10:10 (5824): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:10:10 (5824): 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\0\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\0\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.

bzip2: Data integrity error when decompressing.
	Input file = (stdin), output file = (stdout)

It is possible that the compressed file(s) have become corrupted.
You can use the -tvv option to test integrity of such files.

You can use the `bzip2recover' program to attempt to recover
data from undamaged sections of corrupted files.

tar: Unexpected EOF in archive
tar: Unexpected EOF in archive
tar: Error is not recoverable: exiting now
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "C:\ProgramData\BOINC\slots\0\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\0\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
    self.load_checkpoint()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
    self.worker.simulation.loadState(ckptfile)
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
    self.context.setState(mm.XmlSerializer.deserialize(xml))
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
    return XmlSerializer._deserializeState(inputString)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
    self._exit("Error when creating replica.")
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
    self.update_state_of_replica(repl)
  File "C:\ProgramData\BOINC\slots\0\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\0\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'
08:10:39 (5824): C:/Windows/system32/cmd.exe exited; CPU time 7.593750
08:10:39 (5824): app exit status: 0x16
08:10:39 (5824): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 371064 bytes.
Dumping objects ->
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{3835248} normal block at 0x0000023B23E80840, 48 bytes long.
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{3835237} normal block at 0x0000023B23E81020, 48 bytes long.
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{3835226} normal block at 0x0000023B23E81560, 48 bytes long.
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{3835184} normal block at 0x0000023B23FD2460, 85 bytes long.
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..\api\boinc_api.cpp(309) : {3835181} normal block at 0x0000023B22196750, 8 bytes long.
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{3834558} normal block at 0x0000023B23FD23C0, 85 bytes long.
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{3833951} normal block at 0x0000023B22196C50, 8 bytes long.
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{287} normal block at 0x0000023B221A16C0, 16 bytes long.
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{285} normal block at 0x0000023B221A18A0, 16 bytes long.
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{284} normal block at 0x0000023B2219B1B0, 48 bytes long.
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{283} normal block at 0x0000023B221A1710, 16 bytes long.
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{282} normal block at 0x0000023B2219CD90, 32 bytes long.
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{281} normal block at 0x0000023B221A2200, 16 bytes long.
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{279} normal block at 0x0000023B221A21B0, 16 bytes long.
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{278} normal block at 0x0000023B221A2250, 16 bytes long.
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{277} normal block at 0x0000023B221A2160, 16 bytes long.
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{276} normal block at 0x0000023B221A1CB0, 16 bytes long.
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{275} normal block at 0x0000023B221A1C60, 16 bytes long.
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{274} normal block at 0x0000023B2219C8B0, 32 bytes long.
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{273} normal block at 0x0000023B221A1850, 16 bytes long.
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{272} normal block at 0x0000023B2219C250, 320 bytes long.
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{271} normal block at 0x0000023B221A1EE0, 16 bytes long.
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{266} normal block at 0x0000023B221A1A30, 16 bytes long.
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{64} normal block at 0x0000023B22196570, 16 bytes long.
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{63} normal block at 0x0000023B22196C00, 16 bytes long.
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{62} normal block at 0x0000023B22196390, 16 bytes long.
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{61} normal block at 0x0000023B22196520, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023B22196E30, 16 bytes long.
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{59} normal block at 0x0000023B221963E0, 16 bytes long.
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{58} normal block at 0x0000023B221967F0, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023B22196A20, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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