Task 38598239
| Name | p38_A27_A25_r0_4-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND1436_2 |
| Workunit | 31553377 |
| Created | 8 Apr 2026, 9:08:58 UTC |
| Sent | 8 Apr 2026, 9:24:58 UTC |
| Report deadline | 13 Apr 2026, 9:24:58 UTC |
| Received | 8 Apr 2026, 13:04:07 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 633478 |
| Run time | 1 min 19 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,614.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 55.99 MB |
| Peak swap size | 40.65 MB |
| Peak disk usage | 2.73 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:02:18 (19360): wrapper (7.9.26016): starting
15:02:18 (19360): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_input.yaml
run.bat
run.sh
15:02:19 (19360): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:02:19 (19360): 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.
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\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 427, in __init__
self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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'
15:02:27 (19360): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
15:02:27 (19360): app exit status: 0x16
15:02:27 (19360): 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: 313097 bytes.
Dumping objects ->
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{3835275} normal block at 0x0000021B7D81DFF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835264} normal block at 0x0000021B7BB05020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835253} normal block at 0x0000021B7BB04FB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x0000021B7BB04F40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835211} normal block at 0x0000021B7D868800, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835200} normal block at 0x0000021B7BB6AEF0, 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) : {3835197} normal block at 0x0000021B7BAFDFC0, 8 bytes long.
Data: < «{ > 00 00 AB 7B 1B 02 00 00
{3834574} normal block at 0x0000021B7BB6AAE0, 141 bytes long.
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{3833965} normal block at 0x0000021B7BAFDF70, 8 bytes long.
Data: <°×®{ > B0 D7 AE 7B 1B 02 00 00
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Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
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Data: <Pl°{ > 50 6C B0 7B 1B 02 00 00 00 00 00 00 00 00 00 00
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{291} normal block at 0x0000021B7BB052C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000021B7BB05CB0, 16 bytes long.
Data: < ó®{ > 08 F3 AE 7B 1B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021B7BB00F60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000021B7BB05A30, 16 bytes long.
Data: <àò®{ > E0 F2 AE 7B 1B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021B7BB059E0, 16 bytes long.
Data: <¸ò®{ > B8 F2 AE 7B 1B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021B7BB05FD0, 16 bytes long.
Data: < ò®{ > 90 F2 AE 7B 1B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021B7BB066B0, 16 bytes long.
Data: <hò®{ > 68 F2 AE 7B 1B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021B7BB067A0, 16 bytes long.
Data: <@ò®{ > 40 F2 AE 7B 1B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021B7BB06660, 16 bytes long.
Data: < ò®{ > 18 F2 AE 7B 1B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021B7BB01440, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000021B7BB05AD0, 16 bytes long.
Data: <ðñ®{ > F0 F1 AE 7B 1B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021B7BAEF1F0, 320 bytes long.
Data: <ÐZ°{ @ °{ > D0 5A B0 7B 1B 02 00 00 40 14 B0 7B 1B 02 00 00
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{276} normal block at 0x0000021B7BB00F00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000021B7BB06520, 16 bytes long.
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{274} normal block at 0x0000021B7BB01380, 32 bytes long.
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{273} normal block at 0x0000021B7BB05C10, 16 bytes long.
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{272} normal block at 0x0000021B7BB06700, 16 bytes long.
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{265} normal block at 0x0000021B7BB05410, 40 bytes long.
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{264} normal block at 0x0000021B7BB05BC0, 16 bytes long.
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{263} normal block at 0x0000021B7BB05B70, 16 bytes long.
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{262} normal block at 0x0000021B7BB01920, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000021B7BB063E0, 16 bytes long.
Data: <Pi°{ > 50 69 B0 7B 1B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021B7BB06950, 992 bytes long.
Data: <àc°{ °{ > E0 63 B0 7B 1B 02 00 00 20 19 B0 7B 1B 02 00 00
{96} normal block at 0x0000021B7BB01BC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000021B7BAFD2F0, 16 bytes long.
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Data: < êU¨ö > 80 EA 55 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
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Data: <@éU¨ö > 40 E9 55 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000021B7BAFD2A0, 16 bytes long.
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{70} normal block at 0x0000021B7BAFDAC0, 16 bytes long.
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{69} normal block at 0x0000021B7BAFDD40, 16 bytes long.
Data: <P R¨ö > 50 04 52 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021B7BAFD9D0, 16 bytes long.
Data: <0 R¨ö > 30 04 52 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021B7BAFD4D0, 16 bytes long.
Data: <à R¨ö > E0 02 52 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021B7BAFDC50, 16 bytes long.
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{65} normal block at 0x0000021B7BAFE060, 16 bytes long.
Data: <p R¨ö > 70 04 52 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021B7BAFDDE0, 16 bytes long.
Data: < ÀP¨ö > 18 C0 50 A8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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