Task 38653798
| Name | test_754-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND4890_0 |
| Workunit | 31597686 |
| Created | 24 Oct 2026, 6:11:49 UTC |
| Sent | 24 Oct 2026, 6:17:23 UTC |
| Report deadline | 29 Oct 2026, 6:17:23 UTC |
| Received | 24 Oct 2026, 15:40:32 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 644627 |
| Run time | 34 sec |
| CPU time | 28 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,771.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 437.75 MB |
| Peak swap size | 7.79 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>
04:16:38 (28816): wrapper (7.9.26016): starting
04:16:38 (28816): 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
04:16:39 (28816): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:16:39 (28816): 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.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
11:38:41 (23092): wrapper (7.9.26016): starting
11:38:41 (23092): 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
11:38:42 (23092): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:38:42 (23092): 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\0\tmp already exists.
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'
11:39:14 (23092): C:/Windows/system32/cmd.exe exited; CPU time 28.921875
11:39:14 (23092): app exit status: 0x16
11:39:14 (23092): 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: 777227 bytes.
Dumping objects ->
{1774} normal block at 0x000002AAF6A434C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1763} normal block at 0x000002AAF6A43760, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1752} normal block at 0x000002AAF6A438B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1741} normal block at 0x000002AAF6A43450, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1730} normal block at 0x000002AAF6A43300, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1699} normal block at 0x000002AAF6A320A0, 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) : {1686} normal block at 0x000002AAF6A4A700, 8 bytes long.
Data: < > 00 00 ED F6 AA 02 00 00
{305} normal block at 0x000002AAF6A4A6B0, 8 bytes long.
Data: < > F0 91 A4 F6 AA 02 00 00
{296} normal block at 0x000002AAF6A35690, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000002AAF6A4A250, 16 bytes long.
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{294} normal block at 0x000002AAF6A4A070, 16 bytes long.
Data: < > 10 AB A4 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002AAF6A45200, 32 bytes long.
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{292} normal block at 0x000002AAF6A4A5C0, 16 bytes long.
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{291} normal block at 0x000002AAF6A4A160, 16 bytes long.
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{289} normal block at 0x000002AAF6A4A020, 16 bytes long.
Data: <p > 70 AA A4 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002AAF6A433E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000002AAF6A49B70, 16 bytes long.
Data: < > 88 EB A2 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002AAF6A44EA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000002AAF6A49BC0, 16 bytes long.
Data: <` > 60 EB A2 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002AAF6A4A660, 16 bytes long.
Data: <8 > 38 EB A2 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002AAF6A4A4D0, 16 bytes long.
Data: < > 10 EB A2 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002AAF6A49A30, 16 bytes long.
Data: < > E8 EA A2 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002AAF6A4A570, 16 bytes long.
Data: < > C0 EA A2 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002AAF6A4A610, 16 bytes long.
Data: < > 98 EA A2 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002AAF6A45680, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000002AAF6A498A0, 16 bytes long.
Data: <p > 70 EA A2 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002AAF6A2EA70, 320 bytes long.
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{275} normal block at 0x000002AAF6A49F30, 16 bytes long.
Data: <P > 50 AA A4 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002AAF6A4A520, 16 bytes long.
Data: <( > 28 AA A4 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002AAF6A455C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000002AAF6A49C60, 16 bytes long.
Data: < > 00 AA A4 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002AAF6A44E40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000002AAF6A4A430, 16 bytes long.
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{269} normal block at 0x000002AAF6A4A750, 16 bytes long.
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{268} normal block at 0x000002AAF6A49E40, 16 bytes long.
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{267} normal block at 0x000002AAF6A49F80, 16 bytes long.
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{266} normal block at 0x000002AAF6A49FD0, 16 bytes long.
Data: < > A8 A8 A4 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002AAF6A4A2A0, 16 bytes long.
Data: < > 80 A8 A4 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002AAF6A49DA0, 16 bytes long.
Data: <@8 > 40 38 A4 F6 AA 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002AAF6A43840, 40 bytes long.
Data: < > A0 9D A4 F6 AA 02 00 00 A0 20 A3 F6 AA 02 00 00
{261} normal block at 0x000002AAF6A4A3E0, 16 bytes long.
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{260} normal block at 0x000002AAF6A49EE0, 16 bytes long.
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{259} normal block at 0x000002AAF6A45500, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000002AAF6A49E90, 16 bytes long.
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{257} normal block at 0x000002AAF6A4A810, 992 bytes long.
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{93} normal block at 0x000002AAF6A44D20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002AAF6A3F390, 16 bytes long.
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{91} normal block at 0x000002AAF6A43220, 40 bytes long.
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{70} normal block at 0x000002AAF6A3F340, 16 bytes long.
Data: < > 80 EA 1B D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002AAF6A3F2A0, 16 bytes long.
Data: <@ > 40 E9 1B D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002AAF6A3FA20, 16 bytes long.
Data: < W > F8 57 18 D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002AAF6A40150, 16 bytes long.
Data: < W > D8 57 18 D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002AAF6A3FB60, 16 bytes long.
Data: <P > 50 04 18 D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002AAF6A3F660, 16 bytes long.
Data: <0 > 30 04 18 D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002AAF6A40100, 16 bytes long.
Data: < > E0 02 18 D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002AAF6A3F9D0, 16 bytes long.
Data: < > 10 04 18 D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002AAF6A3F980, 16 bytes long.
Data: <p > 70 04 18 D2 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002AAF6A3F250, 16 bytes long.
Data: < > 18 C0 16 D2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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