Task 38629037
| Name | cdk8_A11_A26_r0_3-QUICO_ATM_OpenFF23_NAGL_cdk8-1-6-RND7716_6 |
| Workunit | 31577795 |
| Created | 25 Apr 2026, 0:32:20 UTC |
| Sent | 25 Apr 2026, 0:32:27 UTC |
| Report deadline | 30 Apr 2026, 0:32:27 UTC |
| Received | 25 Apr 2026, 7:10:42 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 610900 |
| Run time | 2 min 8 sec |
| CPU time | 24 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 7,992.16 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 646.84 MB |
| Peak swap size | 9.50 GB |
| Peak disk usage | 1.60 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<message>
The operating system cannot run %1.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
03:08:11 (44716): wrapper (7.9.26016): starting
03:08:11 (44716): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A26_0.pdb
QB_A11_A26_0.xml
QB_A11_A26.inpcrd
QB_A11_A26_input.yaml
QB_A11_A26.pdb
QB_A11_A26.prmtop
QB_A11_A26_sys.xml
run.bat
run.sh
03:08:13 (44716): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:08:13 (44716): 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'
03:09:01 (44716): C:/Windows/system32/cmd.exe exited; CPU time 24.031250
03:09:01 (44716): app exit status: 0x16
03:09:01 (44716): 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: 1079993 bytes.
Dumping objects ->
{3835504} normal block at 0x000002A665A037D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835493} normal block at 0x000002A665A035A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835482} normal block at 0x000002A663CA0370, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835471} normal block at 0x000002A663CA0300, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835460} normal block at 0x000002A663CA01B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835429} normal block at 0x000002A6659A3E90, 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) : {3835416} normal block at 0x000002A663C9D740, 8 bytes long.
Data: < Àc¦ > 00 00 C0 63 A6 02 00 00
{3833963} normal block at 0x000002A663C9DCE0, 8 bytes long.
Data: <@ë×c¦ > 40 EB D7 63 A6 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002A663C90C10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002A663C92430, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002A663CA5D60, 16 bytes long.
Data: < gÊc¦ > 88 67 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002A663CA5CC0, 16 bytes long.
Data: <`gÊc¦ > 60 67 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002A663CA0F50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002A663CA5C20, 16 bytes long.
Data: <8gÊc¦ > 38 67 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002A663CA5D10, 16 bytes long.
Data: < gÊc¦ > 10 67 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002A663CA5860, 16 bytes long.
Data: <èfÊc¦ > E8 66 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002A663CA55E0, 16 bytes long.
Data: <ÀfÊc¦ > C0 66 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A663CA0610, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002A663CA5BD0, 16 bytes long.
Data: < ´Èc¦ > 88 B4 C8 63 A6 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A663CA10D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002A663CA5A40, 16 bytes long.
Data: <`´Èc¦ > 60 B4 C8 63 A6 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A663CA5590, 16 bytes long.
Data: <8´Èc¦ > 38 B4 C8 63 A6 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A663CA5B30, 16 bytes long.
Data: < ´Èc¦ > 10 B4 C8 63 A6 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002A663CA5AE0, 16 bytes long.
Data: <è³Èc¦ > E8 B3 C8 63 A6 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A663CA5C70, 16 bytes long.
Data: <À³Èc¦ > C0 B3 C8 63 A6 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A663CA5B80, 16 bytes long.
Data: < ³Èc¦ > 98 B3 C8 63 A6 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A663CA16D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002A663CA5FE0, 16 bytes long.
Data: <p³Èc¦ > 70 B3 C8 63 A6 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A663C8B370, 320 bytes long.
Data: <à_Êc¦ Ð Êc¦ > E0 5F CA 63 A6 02 00 00 D0 16 CA 63 A6 02 00 00
{277} normal block at 0x000002A663CA5680, 16 bytes long.
Data: < fÊc¦ > A0 66 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A663CA5F90, 16 bytes long.
Data: <xfÊc¦ > 78 66 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A663CA11F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002A663CA5900, 16 bytes long.
Data: <PfÊc¦ > 50 66 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A663CA0D70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002A663CA5540, 16 bytes long.
Data: < eÊc¦ > 98 65 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A663CA59F0, 16 bytes long.
Data: <peÊc¦ > 70 65 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A663CA5A90, 16 bytes long.
Data: <HeÊc¦ > 48 65 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A663CA54A0, 16 bytes long.
Data: < eÊc¦ > 20 65 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A663CA6300, 16 bytes long.
Data: <ødÊc¦ > F8 64 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A663CA5950, 16 bytes long.
Data: <ÐdÊc¦ > D0 64 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A663CA5630, 16 bytes long.
Data: < Êc¦ > 20 02 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A663CA0220, 40 bytes long.
Data: <0VÊc¦ >še¦ > 30 56 CA 63 A6 02 00 00 90 3E 9A 65 A6 02 00 00
{263} normal block at 0x000002A663CA54F0, 16 bytes long.
Data: <°dÊc¦ > B0 64 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A663CA5F40, 16 bytes long.
Data: < dÊc¦ > 88 64 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A663CA1790, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002A663CA63F0, 16 bytes long.
Data: <`dÊc¦ > 60 64 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002A663CA6460, 992 bytes long.
Data: <ðcÊc¦ Êc¦ > F0 63 CA 63 A6 02 00 00 90 17 CA 63 A6 02 00 00
{95} normal block at 0x000002A663CA1970, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002A663C9D970, 16 bytes long.
Data: <@ Êc¦ > 40 08 CA 63 A6 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002A663CA0840, 40 bytes long.
Data: <pÙÉc¦ p Êc¦ > 70 D9 C9 63 A6 02 00 00 70 19 CA 63 A6 02 00 00
{72} normal block at 0x000002A663C9D560, 16 bytes long.
Data: < êst÷ > 80 EA 73 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002A663C9D9C0, 16 bytes long.
Data: <@ést÷ > 40 E9 73 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002A663C9D290, 16 bytes long.
Data: <øWpt÷ > F8 57 70 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002A663C9DC40, 16 bytes long.
Data: <ØWpt÷ > D8 57 70 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A663C9DE70, 16 bytes long.
Data: <P pt÷ > 50 04 70 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002A663C9CFC0, 16 bytes long.
Data: <0 pt÷ > 30 04 70 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002A663C9D240, 16 bytes long.
Data: <à pt÷ > E0 02 70 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002A663C9DF10, 16 bytes long.
Data: < pt÷ > 10 04 70 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A663C9D880, 16 bytes long.
Data: <p pt÷ > 70 04 70 74 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A663C9D5B0, 16 bytes long.
Data: < Ànt÷ > 18 C0 6E 74 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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