Task 38597506
| Name | p38_A27_A32_r0_5-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND1400_0 |
| Workunit | 31553398 |
| Created | 8 Apr 2026, 7:52:22 UTC |
| Sent | 8 Apr 2026, 8:17:28 UTC |
| Report deadline | 13 Apr 2026, 8:17:28 UTC |
| Received | 8 Apr 2026, 8:37:57 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643393 |
| Run time | 3 min 32 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,753.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 52.61 MB |
| Peak swap size | 39.82 MB |
| Peak disk usage | 3.99 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
10:23:23 (412): wrapper (7.9.26016): starting
10:23:23 (412): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A32_input.yaml
run.bat
run.sh
10:23:25 (412): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:23:25 (412): 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\13\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\13\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\13\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\openmm\app\pdbfile.py", line 93, in __init__
inputfile = open(file)
^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A27_A32.pdb'
10:23:55 (412): C:/Windows/system32/cmd.exe exited; CPU time 2.750000
10:23:55 (412): app exit status: 0x16
10:23:55 (412): 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: 393143 bytes.
Dumping objects ->
{3836863} normal block at 0x0000020ECD3FCAC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836852} normal block at 0x0000020ECD3FC510, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836841} normal block at 0x0000020ECD3FC9E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3836830} normal block at 0x0000020ECD3FC580, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836819} normal block at 0x0000020ECD3FC5F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3836788} normal block at 0x0000020ECD4B95B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836777} normal block at 0x0000020ECD55EED0, 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) : {3836773} normal block at 0x0000020ECB9F62A0, 8 bytes long.
Data: < @Í > 00 00 40 CD 0E 02 00 00
{3835482} normal block at 0x0000020ECD55EE00, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x0000020ECB9F6840, 8 bytes long.
Data: <ÀbžË > C0 62 9E CB 0E 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020ECB9FF330, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020ECB9FA9B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000020ECBA00C80, 16 bytes long.
Data: <Ø  Ë > D8 15 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020ECBA00460, 16 bytes long.
Data: <°  Ë > B0 15 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020ECB9F8F70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000020ECBA009B0, 16 bytes long.
Data: <  Ë > 88 15 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020ECBA00BE0, 16 bytes long.
Data: <`  Ë > 60 15 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020ECBA00960, 16 bytes long.
Data: <8  Ë > 38 15 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020ECBA006E0, 16 bytes long.
Data: <  Ë > 10 15 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020ECB9FAEB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000020ECBA00140, 16 bytes long.
Data: <H©ŸË > 48 A9 9F CB 0E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020ECB9F95D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000020ECBA00B90, 16 bytes long.
Data: < ©ŸË > 20 A9 9F CB 0E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020ECBA00190, 16 bytes long.
Data: <ø¨ŸË > F8 A8 9F CB 0E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020ECBA00FA0, 16 bytes long.
Data: <ШŸË > D0 A8 9F CB 0E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020ECBA00AF0, 16 bytes long.
Data: <¨¨ŸË > A8 A8 9F CB 0E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020ECBA003C0, 16 bytes long.
Data: < ¨ŸË > 80 A8 9F CB 0E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020ECBA00B40, 16 bytes long.
Data: <X¨ŸË > 58 A8 9F CB 0E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020ECB9F93F0, 32 bytes long.
Data: <CUDA_DEVICE=3 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 33 00 50 55
{275} normal block at 0x0000020ECBA00F50, 16 bytes long.
Data: <0¨ŸË > 30 A8 9F CB 0E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020ECB9FA830, 320 bytes long.
Data: <P  Ë ð“ŸË > 50 0F A0 CB 0E 02 00 00 F0 93 9F CB 0E 02 00 00
{273} normal block at 0x0000020ECBA00AA0, 16 bytes long.
Data: <ð  Ë > F0 14 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020ECBA00C30, 16 bytes long.
Data: <È  Ë > C8 14 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020ECB9F9A50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000020ECBA00910, 16 bytes long.
Data: <   Ë > A0 14 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020ECB9F9990, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000020ECBA008C0, 16 bytes long.
Data: <è  Ë > E8 13 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020ECBA00870, 16 bytes long.
Data: <À  Ë > C0 13 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020ECBA00820, 16 bytes long.
Data: <  Ë > 98 13 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020ECBA00A50, 16 bytes long.
Data: <p  Ë > 70 13 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020ECBA007D0, 16 bytes long.
Data: <H  Ë > 48 13 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020ECBA01090, 16 bytes long.
Data: <  Ë > 20 13 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020ECBA00FF0, 16 bytes long.
Data: <°µŸË > B0 B5 9F CB 0E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020ECB9FB5B0, 40 bytes long.
Data: <ð  Ë °•KÍ > F0 0F A0 CB 0E 02 00 00 B0 95 4B CD 0E 02 00 00
{259} normal block at 0x0000020ECBA00730, 16 bytes long.
Data: <  Ë > 00 13 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020ECBA004B0, 16 bytes long.
Data: <Ø  Ë > D8 12 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000020ECB9F9930, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000020ECBA00CD0, 16 bytes long.
Data: <°  Ë > B0 12 A0 CB 0E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000020ECBA012B0, 992 bytes long.
Data: <Ð  Ë 0 ŸË > D0 0C A0 CB 0E 02 00 00 30 99 9F CB 0E 02 00 00
{91} normal block at 0x0000020ECB9F9330, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000020ECB9F67F0, 16 bytes long.
Data: <P±ŸË > 50 B1 9F CB 0E 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000020ECB9FB150, 40 bytes long.
Data: <ðgŸË 0“ŸË > F0 67 9F CB 0E 02 00 00 30 93 9F CB 0E 02 00 00
{68} normal block at 0x0000020ECB9F6B10, 16 bytes long.
Data: < ê²Wö > 80 EA B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020ECB9F6570, 16 bytes long.
Data: <@é²Wö > 40 E9 B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020ECB9F6E30, 16 bytes long.
Data: <øW¯Wö > F8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020ECB9F69D0, 16 bytes long.
Data: <ØW¯Wö > D8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020ECB9F67A0, 16 bytes long.
Data: <P ¯Wö > 50 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020ECB9F7100, 16 bytes long.
Data: <0 ¯Wö > 30 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020ECB9F6250, 16 bytes long.
Data: <à ¯Wö > E0 02 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020ECB9F6AC0, 16 bytes long.
Data: < ¯Wö > 10 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020ECB9F6750, 16 bytes long.
Data: <p ¯Wö > 70 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000020ECB9F6DE0, 16 bytes long.
Data: < À­Wö > 18 C0 AD 57 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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