Task 38597900
| Name | p38_A27_A25_r0_2-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND9849_1 |
| Workunit | 31553375 |
| Created | 8 Apr 2026, 8:20:40 UTC |
| Sent | 8 Apr 2026, 8:45:10 UTC |
| Report deadline | 13 Apr 2026, 8:45:10 UTC |
| Received | 9 Apr 2026, 5:27:04 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 637325 |
| Run time | 2 min 2 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 4,573.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 47.49 MB |
| Peak swap size | 36.88 MB |
| Peak disk usage | 1.51 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
K�ytt�j�rjestelm� ei voi suorittaa ohjelmaa (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:25:03 (7044): wrapper (7.9.26016): starting
08:25:03 (7044): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_input.yaml
run.bat
run.sh
08:25:04 (7044): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:25:04 (7044): 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.
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\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 427, in __init__
self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\app\pdbfile.py", line 93, in __init__
inputfile = open(file)
^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A27_A25.pdb'
08:25:18 (7044): C:/Windows/system32/cmd.exe exited; CPU time 0.218750
08:25:18 (7044): app exit status: 0x16
08:25:18 (7044): 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: 268189 bytes.
Dumping objects ->
{3835195} normal block at 0x0000021CE35E1090, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x0000021CE35E13A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835173} normal block at 0x0000021CE35E0D80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835162} normal block at 0x0000021CE35E1020, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835151} normal block at 0x0000021CE35E1560, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835120} normal block at 0x0000021CE36DB120, 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) : {3835106} normal block at 0x0000021CE1C65990, 8 bytes long.
Data: < Äá > 00 00 C4 E1 1C 02 00 00
{3833949} normal block at 0x0000021CE1C65DA0, 8 bytes long.
Data: <°hsã > B0 68 73 E3 1C 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021CE1C70C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021CE1C55CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000021CE1C71E50, 16 bytes long.
Data: <(/Çá > 28 2F C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021CE1C72440, 16 bytes long.
Data: < /Çá > 00 2F C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021CE1C6B880, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000021CE1C71D10, 16 bytes long.
Data: <Ø.Çá > D8 2E C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021CE1C71B80, 16 bytes long.
Data: <°.Çá > B0 2E C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021CE1C72940, 16 bytes long.
Data: < .Çá > 88 2E C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021CE1C71E00, 16 bytes long.
Data: <`.Çá > 60 2E C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021CE1C6A880, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000021CE1C72490, 16 bytes long.
Data: < \Åá > 88 5C C5 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021CE1C6B820, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000021CE1C720D0, 16 bytes long.
Data: <`\Åá > 60 5C C5 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021CE1C71FE0, 16 bytes long.
Data: <8\Åá > 38 5C C5 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021CE1C728F0, 16 bytes long.
Data: < \Åá > 10 5C C5 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021CE1C72080, 16 bytes long.
Data: <è[Åá > E8 5B C5 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021CE1C71EA0, 16 bytes long.
Data: <À[Åá > C0 5B C5 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021CE1C71B30, 16 bytes long.
Data: < [Åá > 98 5B C5 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021CE1C6B760, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000021CE1C729E0, 16 bytes long.
Data: <p[Åá > 70 5B C5 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021CE1C55B70, 320 bytes long.
Data: <à)Çá `·Æá > E0 29 C7 E1 1C 02 00 00 60 B7 C6 E1 1C 02 00 00
{270} normal block at 0x0000021CE1C71DB0, 16 bytes long.
Data: <@.Çá > 40 2E C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021CE1C72850, 16 bytes long.
Data: < .Çá > 18 2E C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021CE1C6B940, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000021CE1C727B0, 16 bytes long.
Data: <ð-Çá > F0 2D C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021CE1C6BF40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000021CE1C72300, 16 bytes long.
Data: <8-Çá > 38 2D C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021CE1C71C70, 16 bytes long.
Data: < -Çá > 10 2D C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021CE1C71CC0, 16 bytes long.
Data: <è,Çá > E8 2C C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021CE1C71BD0, 16 bytes long.
Data: <À,Çá > C0 2C C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021CE1C72170, 16 bytes long.
Data: < ,Çá > 98 2C C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021CE1C72120, 16 bytes long.
Data: <p,Çá > 70 2C C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021CE1C72260, 16 bytes long.
Data: <P¦Æá > 50 A6 C6 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000021CE1C6A650, 40 bytes long.
Data: <`"Çá ±mã > 60 22 C7 E1 1C 02 00 00 20 B1 6D E3 1C 02 00 00
{256} normal block at 0x0000021CE1C71C20, 16 bytes long.
Data: <P,Çá > 50 2C C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000021CE1C71D60, 16 bytes long.
Data: <(,Çá > 28 2C C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000021CE1C6BCA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000021CE1C72030, 16 bytes long.
Data: < ,Çá > 00 2C C7 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000021CE1C72C00, 992 bytes long.
Data: <0 Çá  ¼Æá > 30 20 C7 E1 1C 02 00 00 A0 BC C6 E1 1C 02 00 00
{88} normal block at 0x0000021CE1C6C5A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000021CE1C65D00, 16 bytes long.
Data: < ¤Æá > 20 A4 C6 E1 1C 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000021CE1C6A420, 40 bytes long.
Data: < ]Æá  ÅÆá > 00 5D C6 E1 1C 02 00 00 A0 C5 C6 E1 1C 02 00 00
{65} normal block at 0x0000021CE1C65CB0, 16 bytes long.
Data: < ê‹¿ö > 80 EA 8B BF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021CE1C66250, 16 bytes long.
Data: <@é‹¿ö > 40 E9 8B BF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021CE1C661B0, 16 bytes long.
Data: <øW ¿ö > F8 57 88 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021CE1C65800, 16 bytes long.
Data: <ØW ¿ö > D8 57 88 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021CE1C65D50, 16 bytes long.
Data: <P ¿ö > 50 04 88 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021CE1C65A30, 16 bytes long.
Data: <0 ¿ö > 30 04 88 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000021CE1C66070, 16 bytes long.
Data: <à ¿ö > E0 02 88 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021CE1C66020, 16 bytes long.
Data: < ¿ö > 10 04 88 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000021CE1C660C0, 16 bytes long.
Data: <p ¿ö > 70 04 88 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000021CE1C65440, 16 bytes long.
Data: < À†¿ö > 18 C0 86 BF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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