Task 38599887
| Name | p38_A27_A25_r0_4-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND1436_6 |
| Workunit | 31553377 |
| Created | 8 Apr 2026, 22:04:52 UTC |
| Sent | 8 Apr 2026, 22:05:04 UTC |
| Report deadline | 13 Apr 2026, 22:05:04 UTC |
| Received | 9 Apr 2026, 1:18:27 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643627 |
| Run time | 1 min 3 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 83,076.53 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 10.75 MB |
| Peak swap size | 5.17 MB |
| Peak disk usage | 1.51 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run z��.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:13:20 (104920): wrapper (7.9.26016): starting
20:13:20 (104920): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A25_input.yaml
run.bat
run.sh
20:13:21 (104920): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:13:21 (104920): 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\24\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\24\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\24\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\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\24\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\24\Lib\site-packages\atom_openmm\ommsystem.py", line 91, in load_system
self.pdb = PDBFile(self.pdbtopfile)
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\24\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'
20:13:30 (104920): C:/Windows/system32/cmd.exe exited; CPU time 0.015625
20:13:30 (104920): app exit status: 0x16
20:13:30 (104920): 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: 408509 bytes.
Dumping objects ->
{3835491} normal block at 0x00000192D0095750, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835480} normal block at 0x00000192D00956E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835469} normal block at 0x00000192D0095670, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835458} normal block at 0x00000192D0095600, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835447} normal block at 0x00000192D0095590, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835416} normal block at 0x00000192D1E6BEF0, 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) : {3835403} normal block at 0x00000192D008E5B0, 8 bytes long.
Data: < Ð’ > 00 00 06 D0 92 01 00 00
{3833963} normal block at 0x00000192D008DFC0, 8 bytes long.
Data: <PHìÑ’ > 50 48 EC D1 92 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000192D0081280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000192D0082210, 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 0x00000192D0095CB0, 16 bytes long.
Data: <Ho Ð’ > 48 6F 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000192D0095C60, 16 bytes long.
Data: < o Ð’ > 20 6F 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000192D0090580, 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 0x00000192D0096390, 16 bytes long.
Data: <øn Ð’ > F8 6E 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000192D00960C0, 16 bytes long.
Data: <Ðn Ð’ > D0 6E 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000192D0096480, 16 bytes long.
Data: <¨n Ð’ > A8 6E 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000192D00967A0, 16 bytes long.
Data: < n Ð’ > 80 6E 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000192D0095440, 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 0x00000192D0096020, 16 bytes long.
Data: <h÷ Ð’ > 68 F7 07 D0 92 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000192D00902E0, 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 0x00000192D0096750, 16 bytes long.
Data: <@÷ Ð’ > 40 F7 07 D0 92 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000192D0096B10, 16 bytes long.
Data: < ÷ Ð’ > 18 F7 07 D0 92 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000192D0095DF0, 16 bytes long.
Data: <ðö Ð’ > F0 F6 07 D0 92 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000192D0096AC0, 16 bytes long.
Data: <Èö Ð’ > C8 F6 07 D0 92 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000192D0096A70, 16 bytes long.
Data: < ö Ð’ > A0 F6 07 D0 92 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000192D0096930, 16 bytes long.
Data: <xö Ð’ > 78 F6 07 D0 92 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000192D008FC80, 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 0x00000192D00968E0, 16 bytes long.
Data: <Pö Ð’ > 50 F6 07 D0 92 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000192D007F650, 320 bytes long.
Data: <àh Ð’ ü Ð’ > E0 68 09 D0 92 01 00 00 80 FC 08 D0 92 01 00 00
{277} normal block at 0x00000192D00969D0, 16 bytes long.
Data: <`n Ð’ > 60 6E 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000192D00961B0, 16 bytes long.
Data: <8n Ð’ > 38 6E 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000192D00907C0, 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 0x00000192D00966B0, 16 bytes long.
Data: < n Ð’ > 10 6E 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000192D00903A0, 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 0x00000192D0096840, 16 bytes long.
Data: <Xm Ð’ > 58 6D 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000192D0096250, 16 bytes long.
Data: <0m Ð’ > 30 6D 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000192D0096BB0, 16 bytes long.
Data: < m Ð’ > 08 6D 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000192D00962A0, 16 bytes long.
Data: <àl Ð’ > E0 6C 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000192D00967F0, 16 bytes long.
Data: <¸l Ð’ > B8 6C 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000192D0096B60, 16 bytes long.
Data: < l Ð’ > 90 6C 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000192D0096A20, 16 bytes long.
Data: <ÀP Ð’ > C0 50 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000192D00950C0, 40 bytes long.
Data: < j Ð’ ð¾æÑ’ > 20 6A 09 D0 92 01 00 00 F0 BE E6 D1 92 01 00 00
{263} normal block at 0x00000192D0096340, 16 bytes long.
Data: <pl Ð’ > 70 6C 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000192D0096980, 16 bytes long.
Data: <Hl Ð’ > 48 6C 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000192D0090520, 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 0x00000192D0096700, 16 bytes long.
Data: < l Ð’ > 20 6C 09 D0 92 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000192D0096C20, 992 bytes long.
Data: < g Ð’ Ð’ > 00 67 09 D0 92 01 00 00 20 05 09 D0 92 01 00 00
{95} normal block at 0x00000192D0090760, 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 0x00000192D008DED0, 16 bytes long.
Data: <pä Ð’ > 70 E4 07 D0 92 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000192D007E470, 40 bytes long.
Data: <ÐÞ Ð’ ` Ð’ > D0 DE 08 D0 92 01 00 00 60 07 09 D0 92 01 00 00
{72} normal block at 0x00000192D008D8E0, 16 bytes long.
Data: < êSnö > 80 EA 53 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000192D008E600, 16 bytes long.
Data: <@éSnö > 40 E9 53 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000192D008D7F0, 16 bytes long.
Data: <øWPnö > F8 57 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000192D008DCF0, 16 bytes long.
Data: <ØWPnö > D8 57 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000192D008D9D0, 16 bytes long.
Data: <P Pnö > 50 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000192D008E1A0, 16 bytes long.
Data: <0 Pnö > 30 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000192D008D7A0, 16 bytes long.
Data: <à Pnö > E0 02 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000192D008E420, 16 bytes long.
Data: < Pnö > 10 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000192D008DC00, 16 bytes long.
Data: <p Pnö > 70 04 50 6E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000192D008E010, 16 bytes long.
Data: < ÀNnö > 18 C0 4E 6E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra