Task 38627605
| Name | cdk8_A25_A18_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND1063_3 |
| Workunit | 31577386 |
| Created | 24 Apr 2026, 12:30:09 UTC |
| Sent | 24 Apr 2026, 12:30:19 UTC |
| Report deadline | 29 Apr 2026, 12:30:19 UTC |
| Received | 24 Apr 2026, 12:36:07 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 607094 |
| Run time | 1 min 26 sec |
| CPU time | 9 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,077.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 188.15 MB |
| Peak swap size | 4.51 GB |
| Peak disk usage | 3.85 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Il sistema operativo non pu� eseguire (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:34:29 (51100): wrapper (7.9.26016): starting
14:34:29 (51100): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A18.inpcrd
QB_A25_A18_input.yaml
QB_A25_A18.pdb
QB_A25_A18.prmtop
QB_A25_A18_sys.xml
run.bat
run.sh
14:34:30 (51100): Library/usr/bin/tar.exe exited; CPU time 0.046875
14:34:30 (51100): 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\4\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\4\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\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\4\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\4\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 265, in _openmm_worker_makecontext
self.simulation.loadState(self.basename + "_0.xml")
File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\openmm\app\simulation.py", line 359, in loadState
with open(file, 'r') as f:
^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: 'QB_A25_A18_0.xml'
14:35:01 (51100): C:/Windows/system32/cmd.exe exited; CPU time 9.921875
14:35:01 (51100): app exit status: 0x16
14:35:01 (51100): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 549038 bytes.
Dumping objects ->
{3835293} normal block at 0x000001FDFF698B90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835282} normal block at 0x000001FDFF698A40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835271} normal block at 0x000001FDFF6996F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835260} normal block at 0x000001FDFF698C00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835249} normal block at 0x000001FDFECD5070, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835218} normal block at 0x000001FDFF64AB30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x000001FDFF65D310, 85 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) : {3835204} normal block at 0x000001FDFECCDF20, 8 bytes long.
Data: < !ÿý > 00 00 21 FF FD 01 00 00
{3834575} normal block at 0x000001FDFF65CD70, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000001FDFECCE380, 8 bytes long.
Data: < ÜËþý > 10 DC CB FE FD 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001FDFECC1000, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001FDFECC1EB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001FDFECD5D70, 16 bytes long.
Data: <hoÍþý > 68 6F CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FDFECD5C80, 16 bytes long.
Data: <@oÍþý > 40 6F CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FDFECCFAE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001FDFECD63B0, 16 bytes long.
Data: < oÍþý > 18 6F CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FDFECD6360, 16 bytes long.
Data: <ðnÍþý > F0 6E CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FDFECD6720, 16 bytes long.
Data: <ÈnÍþý > C8 6E CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FDFECD67C0, 16 bytes long.
Data: < nÍþý > A0 6E CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FDFECD5540, 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 0x000001FDFECD5D20, 16 bytes long.
Data: <h.Ìþý > 68 2E CC FE FD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FDFECD00E0, 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 0x000001FDFECD6BD0, 16 bytes long.
Data: <@.Ìþý > 40 2E CC FE FD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FDFECD64A0, 16 bytes long.
Data: < .Ìþý > 18 2E CC FE FD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FDFECD6310, 16 bytes long.
Data: <ð-Ìþý > F0 2D CC FE FD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FDFECD62C0, 16 bytes long.
Data: <È-Ìþý > C8 2D CC FE FD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FDFECD6130, 16 bytes long.
Data: < -Ìþý > A0 2D CC FE FD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FDFECD65E0, 16 bytes long.
Data: <x-Ìþý > 78 2D CC FE FD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FDFECD0080, 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 0x000001FDFECD64F0, 16 bytes long.
Data: <P-Ìþý > 50 2D CC FE FD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FDFECC2D50, 320 bytes long.
Data: <ðdÍþý Íþý > F0 64 CD FE FD 01 00 00 80 00 CD FE FD 01 00 00
{278} normal block at 0x000001FDFECD6400, 16 bytes long.
Data: < nÍþý > 80 6E CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FDFECD6B80, 16 bytes long.
Data: <XnÍþý > 58 6E CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FDFECCFB40, 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 0x000001FDFECD5CD0, 16 bytes long.
Data: <0nÍþý > 30 6E CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FDFECD0500, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001FDFECD6A90, 16 bytes long.
Data: <xmÍþý > 78 6D CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FDFECD6270, 16 bytes long.
Data: <PmÍþý > 50 6D CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FDFECD6950, 16 bytes long.
Data: <(mÍþý > 28 6D CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FDFECD61D0, 16 bytes long.
Data: < mÍþý > 00 6D CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FDFECD6900, 16 bytes long.
Data: <ØlÍþý > D8 6C CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FDFECD6090, 16 bytes long.
Data: <°lÍþý > B0 6C CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FDFECD6040, 16 bytes long.
Data: <PQÍþý > 50 51 CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FDFECD5150, 40 bytes long.
Data: <@`Íþý 0«dÿý > 40 60 CD FE FD 01 00 00 30 AB 64 FF FD 01 00 00
{264} normal block at 0x000001FDFECD6A40, 16 bytes long.
Data: < lÍþý > 90 6C CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FDFECD6180, 16 bytes long.
Data: <hlÍþý > 68 6C CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FDFECCF900, 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 0x000001FDFECD68B0, 16 bytes long.
Data: <@lÍþý > 40 6C CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FDFECD6C40, 992 bytes long.
Data: <°hÍþý ùÌþý > B0 68 CD FE FD 01 00 00 00 F9 CC FE FD 01 00 00
{96} normal block at 0x000001FDFECD0440, 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 0x000001FDFECCE060, 16 bytes long.
Data: < SÍþý > 10 53 CD FE FD 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001FDFECD5310, 40 bytes long.
Data: <`àÌþý @ Íþý > 60 E0 CC FE FD 01 00 00 40 04 CD FE FD 01 00 00
{73} normal block at 0x000001FDFECCDC00, 16 bytes long.
Data: < êñÑ÷ > 80 EA F1 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FDFECCE2E0, 16 bytes long.
Data: <@éñÑ÷ > 40 E9 F1 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FDFECCDB60, 16 bytes long.
Data: <øWîÑ÷ > F8 57 EE D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FDFECCE290, 16 bytes long.
Data: <ØWîÑ÷ > D8 57 EE D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FDFECCDA20, 16 bytes long.
Data: <P îÑ÷ > 50 04 EE D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FDFECCD750, 16 bytes long.
Data: <0 îÑ÷ > 30 04 EE D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FDFECCD9D0, 16 bytes long.
Data: <à îÑ÷ > E0 02 EE D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FDFECCD840, 16 bytes long.
Data: < îÑ÷ > 10 04 EE D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FDFECCE4C0, 16 bytes long.
Data: <p îÑ÷ > 70 04 EE D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FDFECCDB10, 16 bytes long.
Data: < ÀìÑ÷ > 18 C0 EC D1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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