Task 38628078
| Name | cdk8_A11_A26_r0_3-QUICO_ATM_OpenFF23_NAGL_cdk8-1-6-RND7716_0 |
| Workunit | 31577795 |
| Created | 24 Apr 2026, 15:43:17 UTC |
| Sent | 24 Apr 2026, 15:43:48 UTC |
| Report deadline | 29 Apr 2026, 15:43:48 UTC |
| Received | 24 Apr 2026, 15:47:02 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 627437 |
| Run time | 1 min 34 sec |
| CPU time | 28 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,908.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 540.68 MB |
| Peak swap size | 12.39 GB |
| Peak disk usage | 1.60 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Il sistema operativo non pu� eseguire (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
17:45:01 (16944): wrapper (7.9.26016): starting
17:45:01 (16944): 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
17:45:04 (16944): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:45:04 (16944): 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.
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\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 19627, in deserialize
return XmlSerializer._deserializeState(inputString)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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\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'
17:45:48 (16944): C:/Windows/system32/cmd.exe exited; CPU time 28.625000
17:45:48 (16944): app exit status: 0x16
17:45:48 (16944): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 bytes in 8 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: 681225 bytes.
Dumping objects ->
{3835290} normal block at 0x0000026A58FF8FF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835279} normal block at 0x0000026A57395610, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835268} normal block at 0x0000026A57395450, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835257} normal block at 0x0000026A57395680, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x0000026A57395370, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835215} normal block at 0x0000026A59005620, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x0000026A573ECE90, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835201} normal block at 0x0000026A5738DD20, 8 bytes long.
Data: < àXj > 00 00 E0 58 6A 02 00 00
{3834572} normal block at 0x0000026A573ED5E0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x0000026A5738D550, 8 bytes long.
Data: <p×7Wj > 70 D7 37 57 6A 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000026A573811B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026A57381900, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000026A57395CF0, 16 bytes long.
Data: <Èk9Wj > C8 6B 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026A57395980, 16 bytes long.
Data: < k9Wj > A0 6B 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026A57391820, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000026A57395AC0, 16 bytes long.
Data: <xk9Wj > 78 6B 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026A57396510, 16 bytes long.
Data: <Pk9Wj > 50 6B 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026A573958E0, 16 bytes long.
Data: <(k9Wj > 28 6B 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026A57396330, 16 bytes long.
Data: < k9Wj > 00 6B 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026A573950D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000026A573964C0, 16 bytes long.
Data: <¸ 8Wj > B8 07 38 57 6A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026A57390C80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000026A57395CA0, 16 bytes long.
Data: < 8Wj > 90 07 38 57 6A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026A57396240, 16 bytes long.
Data: <h 8Wj > 68 07 38 57 6A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026A57396470, 16 bytes long.
Data: <@ 8Wj > 40 07 38 57 6A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026A573962E0, 16 bytes long.
Data: < 8Wj > 18 07 38 57 6A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026A57396830, 16 bytes long.
Data: <ð 8Wj > F0 06 38 57 6A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026A57395F70, 16 bytes long.
Data: <È 8Wj > C8 06 38 57 6A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026A57390EC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000026A57395A70, 16 bytes long.
Data: <  8Wj > A0 06 38 57 6A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026A573806A0, 320 bytes long.
Data: <pZ9Wj À 9Wj > 70 5A 39 57 6A 02 00 00 C0 0E 39 57 6A 02 00 00
{274} normal block at 0x0000026A57396060, 16 bytes long.
Data: <àj9Wj > E0 6A 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026A573967E0, 16 bytes long.
Data: <¸j9Wj > B8 6A 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026A573915E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000026A57396790, 16 bytes long.
Data: < j9Wj > 90 6A 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026A57390E00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000026A573963D0, 16 bytes long.
Data: <Øi9Wj > D8 69 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026A573966F0, 16 bytes long.
Data: <°i9Wj > B0 69 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026A57396740, 16 bytes long.
Data: < i9Wj > 88 69 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026A57396290, 16 bytes long.
Data: <`i9Wj > 60 69 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026A573961F0, 16 bytes long.
Data: <8i9Wj > 38 69 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026A57395D40, 16 bytes long.
Data: < i9Wj > 10 69 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026A57395930, 16 bytes long.
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{261} normal block at 0x0000026A573956F0, 40 bytes long.
Data: <0Y9Wj V Yj > 30 59 39 57 6A 02 00 00 20 56 00 59 6A 02 00 00
{260} normal block at 0x0000026A573961A0, 16 bytes long.
Data: <ðh9Wj > F0 68 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026A57395C50, 16 bytes long.
Data: <Èh9Wj > C8 68 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026A57391340, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000026A57395D90, 16 bytes long.
Data: < h9Wj > A0 68 39 57 6A 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026A573968A0, 992 bytes long.
Data: < ]9Wj @ 9Wj > 90 5D 39 57 6A 02 00 00 40 13 39 57 6A 02 00 00
{92} normal block at 0x0000026A573912E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000026A5738D910, 16 bytes long.
Data: <pî7Wj > 70 EE 37 57 6A 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000026A5737EE70, 40 bytes long.
Data: < Ù8Wj à 9Wj > 10 D9 38 57 6A 02 00 00 E0 12 39 57 6A 02 00 00
{69} normal block at 0x0000026A5738DCD0, 16 bytes long.
Data: < êj‹÷ > 80 EA 6A 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026A5738DFF0, 16 bytes long.
Data: <@éj‹÷ > 40 E9 6A 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026A5738D370, 16 bytes long.
Data: <øWg‹÷ > F8 57 67 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026A5738E040, 16 bytes long.
Data: <ØWg‹÷ > D8 57 67 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026A5738D2D0, 16 bytes long.
Data: <P g‹÷ > 50 04 67 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026A5738D280, 16 bytes long.
Data: <0 g‹÷ > 30 04 67 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026A5738D460, 16 bytes long.
Data: <à g‹÷ > E0 02 67 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026A5738DC80, 16 bytes long.
Data: < g‹÷ > 10 04 67 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026A5738D7D0, 16 bytes long.
Data: <p g‹÷ > 70 04 67 8B F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026A5738DA00, 16 bytes long.
Data: < Àe‹÷ > 18 C0 65 8B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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