Task 38582739
| Name | HIF2A_A24_A43_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND7151_7 |
| Workunit | 31545965 |
| Created | 13 Dec 2025, 10:48:30 UTC |
| Sent | 13 Dec 2025, 10:48:34 UTC |
| Report deadline | 18 Dec 2025, 10:48:34 UTC |
| Received | 13 Dec 2025, 17:47:09 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 505468 |
| Run time | 1 min 27 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,610.64 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 47.23 MB |
| Peak swap size | 34.12 MB |
| Peak disk usage | 3.46 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:45:35 (143492): wrapper (7.9.26016): starting
18:45:35 (143492): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A43_0.xml
QB_A24_A43.inpcrd
QB_A24_A43_input.yaml
QB_A24_A43.prmtop
run.bat
run.sh
18:45:36 (143492): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:45:36 (143492): 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\17\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\17\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.
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\17\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\async_re.py", line 157, in _checkInput
self._exit('JOB_TRANSPORT needs to be specified')
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\17\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\17\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 'nreplicas'
18:45:51 (143492): C:/Windows/system32/cmd.exe exited; CPU time 1.859375
18:45:51 (143492): app exit status: 0x16
18:45:51 (143492): 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: 520497 bytes.
Dumping objects ->
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{3835249} normal block at 0x0000019F68277CB0, 48 bytes long.
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{3835238} normal block at 0x0000019F682781F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835227} normal block at 0x0000019F68278420, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
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Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835185} normal block at 0x0000019F69DED100, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835174} normal block at 0x0000019F69ED6E60, 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) : {3835171} normal block at 0x0000019F68249300, 8 bytes long.
Data: < ½iŸ > 00 00 BD 69 9F 01 00 00
{3834557} normal block at 0x0000019F69ED6D90, 141 bytes long.
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{3833957} normal block at 0x0000019F682492B0, 8 bytes long.
Data: <`¾#hŸ > 60 BE 23 68 9F 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000019F68252F20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
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{292} normal block at 0x0000019F6824E3F0, 32 bytes long.
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Data: <ÀT%hŸ > C0 54 25 68 9F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019F68254EB0, 16 bytes long.
Data: < T%hŸ > 98 54 25 68 9F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019F68254A00, 16 bytes long.
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{287} normal block at 0x0000019F6824F7F0, 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 0x0000019F68254190, 16 bytes long.
Data: <8?%hŸ > 38 3F 25 68 9F 01 00 00 00 00 00 00 00 00 00 00
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Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000019F68254E60, 16 bytes long.
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{282} normal block at 0x0000019F68254F00, 16 bytes long.
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Data: < >%hŸ > 98 3E 25 68 9F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019F68254910, 16 bytes long.
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{278} normal block at 0x0000019F682549B0, 16 bytes long.
Data: <H>%hŸ > 48 3E 25 68 9F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019F6824E030, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
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Data: < >%hŸ > 20 3E 25 68 9F 01 00 00 00 00 00 00 00 00 00 00
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Data: <(T%hŸ > 28 54 25 68 9F 01 00 00 00 00 00 00 00 00 00 00
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Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
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{268} normal block at 0x0000019F68254D70, 16 bytes long.
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{267} normal block at 0x0000019F68254D20, 16 bytes long.
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{266} normal block at 0x0000019F682540F0, 16 bytes long.
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{265} normal block at 0x0000019F68254CD0, 16 bytes long.
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{262} normal block at 0x0000019F68254870, 16 bytes long.
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{261} normal block at 0x0000019F6824FEF0, 40 bytes long.
Data: <pH%hŸ ÑÞiŸ > 70 48 25 68 9F 01 00 00 00 D1 DE 69 9F 01 00 00
{260} normal block at 0x0000019F68254B40, 16 bytes long.
Data: <`R%hŸ > 60 52 25 68 9F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019F682540A0, 16 bytes long.
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{258} normal block at 0x0000019F6824DC70, 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 0x0000019F68254AF0, 16 bytes long.
Data: < R%hŸ > 10 52 25 68 9F 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019F68255210, 992 bytes long.
Data: <ðJ%hŸ pÜ$hŸ > F0 4A 25 68 9F 01 00 00 70 DC 24 68 9F 01 00 00
{92} normal block at 0x0000019F6824E2D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000019F68248B30, 16 bytes long.
Data: <Pü$hŸ > 50 FC 24 68 9F 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000019F6824FC50, 40 bytes long.
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{69} normal block at 0x0000019F68249170, 16 bytes long.
Data: < ê2—÷ > 80 EA 32 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019F68248E00, 16 bytes long.
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{67} normal block at 0x0000019F68248CC0, 16 bytes long.
Data: <øW/—÷ > F8 57 2F 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019F68249710, 16 bytes long.
Data: <ØW/—÷ > D8 57 2F 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019F68248BD0, 16 bytes long.
Data: <P /—÷ > 50 04 2F 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019F68248A90, 16 bytes long.
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{63} normal block at 0x0000019F68248D60, 16 bytes long.
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{62} normal block at 0x0000019F682491C0, 16 bytes long.
Data: < /—÷ > 10 04 2F 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019F68248D10, 16 bytes long.
Data: <p /—÷ > 70 04 2F 97 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019F68249800, 16 bytes long.
Data: < À-—÷ > 18 C0 2D 97 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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