Task 38580280
| Name | JNK1_A10_A05_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND1527_0 |
| Workunit | 31545142 |
| Created | 11 Dec 2025, 14:24:47 UTC |
| Sent | 11 Dec 2025, 14:24:49 UTC |
| Report deadline | 16 Dec 2025, 14:24:49 UTC |
| Received | 14 Dec 2025, 0:09:53 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 596137 |
| Run time | 2 days 9 hours 42 min 11 sec |
| CPU time | 2 days 9 hours 24 min 56 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,672.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 681.59 MB |
| Peak swap size | 3.83 GB |
| Peak disk usage | 3.48 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
System operacyjny nie mo�e uruchomi� (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:26:26 (123824): wrapper (7.9.26016): starting
15:26:26 (123824): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A05_0.pdb
QB_A10_A05_0.xml
QB_A10_A05_equil.pdb
QB_A10_A05.inpcrd
QB_A10_A05_input.yaml
QB_A10_A05_mdlambda.pdb
QB_A10_A05_min.pdb
QB_A10_A05_npt.pdb
QB_A10_A05.pdb
QB_A10_A05.prmtop
QB_A10_A05_sys.xml
QB_A10_A05_therm.pdb
run.bat
run.sh
15:26:28 (123824): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:26:28 (123824): 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\3\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\3\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.
01:07:55 (10124): wrapper (7.9.26016): starting
01:07:55 (10124): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "C:\ProgramData\BOINC\slots\3\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\3\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\openmm\openmm.py", line 19627, in deserialize
return XmlSerializer._deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\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\3\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "C:\ProgramData\BOINC\slots\3\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\3\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'
01:08:30 (10124): C:/Windows/system32/cmd.exe exited; CPU time 29.890625
01:08:30 (10124): app exit status: 0x16
01:08:30 (10124): 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: 345562 bytes.
Dumping objects ->
{1535} normal block at 0x0000017B52EF00F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1524} normal block at 0x0000017B52EF0080, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1513} normal block at 0x0000017B52EEFF30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1502} normal block at 0x0000017B52EF0010, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1491} normal block at 0x0000017B52EEFE50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1460} normal block at 0x0000017B52ED0810, 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) : {1447} normal block at 0x0000017B52EF7700, 8 bytes long.
Data: < {T{ > 00 00 7B 54 7B 01 00 00
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Data: < h R{ > D0 68 EF 52 7B 01 00 00
{293} normal block at 0x0000017B52ED8B20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000017B52EF7C50, 16 bytes long.
Data: < R{ > 18 82 EF 52 7B 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000017B52EF7480, 16 bytes long.
Data: < R{ > F0 81 EF 52 7B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000017B52EF1BD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
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Data: <P R{ > 50 81 EF 52 7B 01 00 00 00 00 00 00 00 00 00 00
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Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000017B52EF7E30, 16 bytes long.
Data: < R{ > C8 F9 ED 52 7B 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017B52EF1D50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000017B52EF7930, 16 bytes long.
Data: < R{ > A0 F9 ED 52 7B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017B52EF78E0, 16 bytes long.
Data: <x R{ > 78 F9 ED 52 7B 01 00 00 00 00 00 00 00 00 00 00
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Data: <( R{ > 28 F9 ED 52 7B 01 00 00 00 00 00 00 00 00 00 00
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Data: < R{ > 00 F9 ED 52 7B 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017B52EF7BB0, 16 bytes long.
Data: < R{ > D8 F8 ED 52 7B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017B52EF1B70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000017B52EF7520, 16 bytes long.
Data: < R{ > B0 F8 ED 52 7B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017B52EDF8B0, 320 bytes long.
Data: < u R{ p R{ > 20 75 EF 52 7B 01 00 00 70 1B EF 52 7B 01 00 00
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Data: < R{ > 08 81 EF 52 7B 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017B52EF1B10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000017B52EF71B0, 16 bytes long.
Data: < R{ > E0 80 EF 52 7B 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017B52EF1AB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
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Data: <( R{ > 28 80 EF 52 7B 01 00 00 00 00 00 00 00 00 00 00
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Data: < R{ > 00 80 EF 52 7B 01 00 00 00 00 00 00 00 00 00 00
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Data: < R{ > D8 7F EF 52 7B 01 00 00 00 00 00 00 00 00 00 00
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{263} normal block at 0x0000017B52EF7390, 16 bytes long.
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{262} normal block at 0x0000017B52EF7CF0, 16 bytes long.
Data: <` R{ > 60 7F EF 52 7B 01 00 00 00 00 00 00 00 00 00 00
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Data: < R{ > A0 FF EE 52 7B 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000017B52EEFFA0, 40 bytes long.
Data: <pu R{ R{ > 70 75 EF 52 7B 01 00 00 10 08 ED 52 7B 01 00 00
{258} normal block at 0x0000017B52EF77F0, 16 bytes long.
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Data: < R{ > 18 7F EF 52 7B 01 00 00 00 00 00 00 00 00 00 00
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Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
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Data: < p R{ R{ > C0 70 EF 52 7B 01 00 00 F0 19 EF 52 7B 01 00 00
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{67} normal block at 0x0000017B52EEB8D0, 16 bytes long.
Data: < t > 80 EA 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
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Data: <@ t > 40 E9 0F 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000017B52EEB240, 16 bytes long.
Data: < W t > F8 57 0C 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000017B52EEAF70, 16 bytes long.
Data: < W t > D8 57 0C 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000017B52EEB740, 16 bytes long.
Data: <P t > 50 04 0C 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000017B52EEBEC0, 16 bytes long.
Data: <0 t > 30 04 0C 74 F7 7F 00 00 00 00 00 00 00 00 00 00
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Data: < t > E0 02 0C 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000017B52EEB920, 16 bytes long.
Data: < t > 10 04 0C 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000017B52EEB4C0, 16 bytes long.
Data: <p t > 70 04 0C 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000017B52EEB830, 16 bytes long.
Data: < t > 18 C0 0A 74 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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