Task 38697761
| Name | test_419-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND2787_0 |
| Workunit | 31638315 |
| Created | 1 Nov 2026, 20:56:05 UTC |
| Sent | 1 Nov 2026, 20:56:09 UTC |
| Report deadline | 6 Nov 2026, 20:56:09 UTC |
| Received | 1 Nov 2026, 22:48:11 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 594083 |
| Run time | 30 min 52 sec |
| CPU time | 29 min 18 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,030.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 687.79 MB |
| Peak swap size | 6.71 GB |
| Peak disk usage | 3.03 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>
12:12:38 (17264): wrapper (7.9.26016): starting
12:12:38 (17264): 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
12:12:39 (17264): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:12:39 (17264): 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\1\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\1\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.
12:46:03 (33724): wrapper (7.9.26016): starting
12:46:03 (33724): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\1\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\1\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 19618, in deserialize
raise ValueError("Invalid input string")
ValueError: Invalid input string
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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\1\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\1\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'
12:46:33 (33724): C:/Windows/system32/cmd.exe exited; CPU time 18.156250
12:46:33 (33724): app exit status: 0x16
12:46:33 (33724): 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: 465118 bytes.
Dumping objects ->
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Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1598} normal block at 0x000002001DF97500, 48 bytes long.
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{1587} normal block at 0x000002001DF97650, 48 bytes long.
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{1576} normal block at 0x000002001DF97180, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1565} normal block at 0x000002001DF972D0, 48 bytes long.
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{1534} normal block at 0x000002001DF7CCA0, 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) : {1521} normal block at 0x000002001DF98D90, 8 bytes long.
Data: < A > 00 00 41 1E 00 02 00 00
{311} normal block at 0x000002001DF98A70, 8 bytes long.
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{302} normal block at 0x000002001DF80180, 80 bytes long.
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{300} normal block at 0x000002001DF98BB0, 16 bytes long.
Data: < > 90 9C F9 1D 00 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002001DF90DC0, 32 bytes long.
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{298} normal block at 0x000002001DF990B0, 16 bytes long.
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{297} normal block at 0x000002001DF99740, 16 bytes long.
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{296} normal block at 0x000002001DF99650, 16 bytes long.
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{295} normal block at 0x000002001DF996F0, 16 bytes long.
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{294} normal block at 0x000002001DF973B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000002001DF99880, 16 bytes long.
Data: <8 > 38 13 F8 1D 00 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002001DF907C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000002001DF995B0, 16 bytes long.
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{289} normal block at 0x000002001DF99790, 16 bytes long.
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{286} normal block at 0x000002001DF99510, 16 bytes long.
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{285} normal block at 0x000002001DF99920, 16 bytes long.
Data: <H > 48 12 F8 1D 00 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002001DF90AC0, 32 bytes long.
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{283} normal block at 0x000002001DF993D0, 16 bytes long.
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{282} normal block at 0x000002001DF81220, 320 bytes long.
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{281} normal block at 0x000002001DF99830, 16 bytes long.
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{280} normal block at 0x000002001DF99100, 16 bytes long.
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{279} normal block at 0x000002001DF90760, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000002001DF99420, 16 bytes long.
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{277} normal block at 0x000002001DF90BE0, 32 bytes long.
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{276} normal block at 0x000002001DF99600, 16 bytes long.
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{275} normal block at 0x000002001DF98D40, 16 bytes long.
Data: < > A0 9A F9 1D 00 02 00 00 00 00 00 00 00 00 00 00
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Data: <( > 28 9A F9 1D 00 02 00 00 00 00 00 00 00 00 00 00
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{268} normal block at 0x000002001DF976C0, 40 bytes long.
Data: < > 80 93 F9 1D 00 02 00 00 A0 CC F7 1D 00 02 00 00
{267} normal block at 0x000002001DF99470, 16 bytes long.
Data: < > E0 99 F9 1D 00 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002001DF991A0, 16 bytes long.
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{265} normal block at 0x000002001DF90880, 32 bytes long.
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{264} normal block at 0x000002001DF98F20, 16 bytes long.
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Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000002001DF8ECE0, 16 bytes long.
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{73} normal block at 0x000002001DF8EBF0, 16 bytes long.
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{70} normal block at 0x000002001DF8F0A0, 16 bytes long.
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{68} normal block at 0x000002001DF8EB50, 16 bytes long.
Data: <p Y > 70 04 59 EE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002001DF8E600, 16 bytes long.
Data: < W > 18 C0 57 EE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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