Task 38601713
| Name | p38_A27_A25_r0_5-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND4492_5 |
| Workunit | 31553378 |
| Created | 9 Apr 2026, 16:45:19 UTC |
| Sent | 9 Apr 2026, 16:45:23 UTC |
| Report deadline | 14 Apr 2026, 16:45:23 UTC |
| Received | 9 Apr 2026, 16:48:16 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 593479 |
| Run time | 1 min 7 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,463.49 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 48.99 MB |
| Peak swap size | 35.96 MB |
| Peak disk usage | 1.43 GB |
Stderr output
<core_client_version>8.2.5</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:46:24 (2548): wrapper (7.9.26016): starting
18:46:24 (2548): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_input.yaml
run.bat
run.sh
18:46:25 (2548): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:46:25 (2548): 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'
18:46:33 (2548): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
18:46:33 (2548): app exit status: 0x16
18:46:33 (2548): 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: 210521 bytes.
Dumping objects ->
{3835253} normal block at 0x000001E11081D0E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x000001E11081D150, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000001E10EA84CF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835220} normal block at 0x000001E10EA84C80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x000001E10EA84BA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835178} normal block at 0x000001E11086B500, 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) : {3835165} normal block at 0x000001E10EA7D140, 8 bytes long.
Data: < á > 00 00 02 0F E1 01 00 00
{3833963} normal block at 0x000001E10EA7D0F0, 8 bytes long.
Data: <ðצ á > F0 D7 A6 0E E1 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E10EA714A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E10EA724B0, 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 0x000001E10EA85670, 16 bytes long.
Data: <hh¨ á > 68 68 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E10EA86110, 16 bytes long.
Data: <@h¨ á > 40 68 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E10EA7F410, 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 0x000001E10EA86340, 16 bytes long.
Data: < h¨ á > 18 68 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E10EA85B70, 16 bytes long.
Data: <ðg¨ á > F0 67 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E10EA85CB0, 16 bytes long.
Data: <Èg¨ á > C8 67 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E10EA86430, 16 bytes long.
Data: < g¨ á > A0 67 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E10EA84E40, 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 0x000001E10EA860C0, 16 bytes long.
Data: <( § á > 28 08 A7 0E E1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E10EA7F590, 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 0x000001E10EA85AD0, 16 bytes long.
Data: < § á > 00 08 A7 0E E1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E10EA85620, 16 bytes long.
Data: <Ø § á > D8 07 A7 0E E1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E10EA85710, 16 bytes long.
Data: <° § á > B0 07 A7 0E E1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E10EA85B20, 16 bytes long.
Data: < § á > 88 07 A7 0E E1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E10EA85EE0, 16 bytes long.
Data: <` § á > 60 07 A7 0E E1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E10EA85DA0, 16 bytes long.
Data: <8 § á > 38 07 A7 0E E1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E10EA7F2F0, 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 0x000001E10EA85F80, 16 bytes long.
Data: < § á > 10 07 A7 0E E1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E10EA70710, 320 bytes long.
Data: < _¨ á ðò§ á > 80 5F A8 0E E1 01 00 00 F0 F2 A7 0E E1 01 00 00
{277} normal block at 0x000001E10EA858A0, 16 bytes long.
Data: < g¨ á > 80 67 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E10EA85FD0, 16 bytes long.
Data: <Xg¨ á > 58 67 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E10EA7F3B0, 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 0x000001E10EA86200, 16 bytes long.
Data: <0g¨ á > 30 67 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E10EA800D0, 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 0x000001E10EA855D0, 16 bytes long.
Data: <xf¨ á > 78 66 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E10EA85C10, 16 bytes long.
Data: <Pf¨ á > 50 66 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E10EA86070, 16 bytes long.
Data: <(f¨ á > 28 66 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E10EA862F0, 16 bytes long.
Data: < f¨ á > 00 66 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E10EA85C60, 16 bytes long.
Data: <Øe¨ á > D8 65 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E10EA85D50, 16 bytes long.
Data: <°e¨ á > B0 65 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E10EA86390, 16 bytes long.
Data: <àI¨ á > E0 49 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E10EA849E0, 40 bytes long.
Data: < c¨ á µ† á > 90 63 A8 0E E1 01 00 00 00 B5 86 10 E1 01 00 00
{263} normal block at 0x000001E10EA85D00, 16 bytes long.
Data: < e¨ á > 90 65 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E10EA85E90, 16 bytes long.
Data: <he¨ á > 68 65 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E10EA7F890, 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 0x000001E10EA86250, 16 bytes long.
Data: <@e¨ á > 40 65 A8 0E E1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E10EA86540, 992 bytes long.
Data: <Pb¨ á ø§ á > 50 62 A8 0E E1 01 00 00 90 F8 A7 0E E1 01 00 00
{95} normal block at 0x000001E10EA7FFB0, 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 0x000001E10EA7D1E0, 16 bytes long.
Data: < ä¦ á > 10 E4 A6 0E E1 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001E10EA6E410, 40 bytes long.
Data: <àѧ á °ÿ§ á > E0 D1 A7 0E E1 01 00 00 B0 FF A7 0E E1 01 00 00
{72} normal block at 0x000001E10EA7D780, 16 bytes long.
Data: < ê ö > 80 EA 09 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E10EA7DBE0, 16 bytes long.
Data: <@é ö > 40 E9 09 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E10EA7D460, 16 bytes long.
Data: <øW ö > F8 57 06 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E10EA7D8C0, 16 bytes long.
Data: <ØW ö > D8 57 06 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E10EA7D190, 16 bytes long.
Data: <P ö > 50 04 06 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E10EA7D320, 16 bytes long.
Data: <0 ö > 30 04 06 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E10EA7D0A0, 16 bytes long.
Data: <à ö > E0 02 06 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E10EA7DE60, 16 bytes long.
Data: < ö > 10 04 06 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E10EA7D050, 16 bytes long.
Data: <p ö > 70 04 06 18 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E10EA7DDC0, 16 bytes long.
Data: < À ö > 18 C0 04 18 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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