Task 38677734
| Name | test_1880-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND2441_6 |
| Workunit | 31605470 |
| Created | 26 Oct 2026, 15:15:08 UTC |
| Sent | 26 Oct 2026, 15:15:14 UTC |
| Report deadline | 31 Oct 2026, 15:15:14 UTC |
| Received | 26 Oct 2026, 15:59:24 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 653402 |
| Run time | 2 min 29 sec |
| CPU time | 12 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 252.93 MB |
| Peak swap size | 7.59 GB |
| Peak disk usage | 1.57 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:57:14 (18220): wrapper (7.9.26016): starting
11:57:14 (18220): 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
11:57:16 (18220): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:57:16 (18220): 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\DATA\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 'D:\BOINC\DATA\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 "D:\BOINC\DATA\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 "D:\BOINC\DATA\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "D:\BOINC\DATA\slots\0\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "D:\BOINC\DATA\slots\0\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC\DATA\slots\0\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
return XmlSerializer._deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC\DATA\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 "D:\BOINC\DATA\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC\DATA\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "D:\BOINC\DATA\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "D:\BOINC\DATA\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "D:\BOINC\DATA\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "D:\BOINC\DATA\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 "D:\BOINC\DATA\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'
11:58:08 (18220): C:/Windows/system32/cmd.exe exited; CPU time 12.171875
11:58:08 (18220): app exit status: 0x16
11:58:08 (18220): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 985251 bytes.
Dumping objects ->
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{3835148} normal block at 0x000002834E510F40, 32 bytes long.
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{3835117} normal block at 0x000002834C735D40, 48 bytes long.
Data: <PATH=D:\BOINC\DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 41
..\api\boinc_api.cpp(309) : {3835104} normal block at 0x000002834C732160, 8 bytes long.
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{62} normal block at 0x000002834C7325C0, 16 bytes long.
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{61} normal block at 0x000002834C732480, 16 bytes long.
Data: <p ðê÷ > 70 04 F0 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002834C731E90, 16 bytes long.
Data: < Àîê÷ > 18 C0 EE EA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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