Task 38582215
| Name | HIF2A_A24_A43_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND2310_6 |
| Workunit | 31545961 |
| Created | 12 Dec 2025, 23:30:03 UTC |
| Sent | 12 Dec 2025, 23:30:05 UTC |
| Report deadline | 17 Dec 2025, 23:30:05 UTC |
| Received | 13 Dec 2025, 0:26:05 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628467 |
| Run time | 1 min 20 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 15,212.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 61.96 MB |
| Peak swap size | 11.70 GB |
| Peak disk usage | 1.52 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:23:48 (1360): wrapper (7.9.26016): starting
16:23:48 (1360): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A43_0.xml
QB_A24_A43.inpcrd
QB_A24_A43_input.yaml
QB_A24_A43.prmtop
run.bat
run.sh
16:23:49 (1360): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:23:49 (1360): 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 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
self._checkInput()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
super()._checkInput()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 157, in _checkInput
self._exit('JOB_TRANSPORT needs to be specified')
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
for repl in range(self.nreplicas):
^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
return object.__getattribute__(self,name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'nreplicas'
16:24:03 (1360): C:/Windows/system32/cmd.exe exited; CPU time 2.343750
16:24:03 (1360): app exit status: 0x16
16:24:03 (1360): called boinc_finish(195)
0 bytes in 0 Free Blocks.
726 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: 376367 bytes.
Dumping objects ->
{3835333} normal block at 0x000002885A59C3B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835322} normal block at 0x0000028858844DB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835311} normal block at 0x0000028858844BF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835300} normal block at 0x0000028858844D40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835289} normal block at 0x0000028858844A30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835258} normal block at 0x000002885A5E7120, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835247} normal block at 0x000002885A594080, 235 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) : {3835244} normal block at 0x000002885883D6B0, 8 bytes long.
Data: < X > 00 00 80 58 88 02 00 00
{3834596} normal block at 0x000002885A593BC0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000002885883D7A0, 8 bytes long.
Data: < Õ‚X > A0 D5 82 58 88 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000028858831110, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000028858831C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000288588459E0, 16 bytes long.
Data: < f„X > 88 66 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028858845DF0, 16 bytes long.
Data: <`f„X > 60 66 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000028858840AB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000028858845AD0, 16 bytes long.
Data: <8f„X > 38 66 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028858845DA0, 16 bytes long.
Data: < f„X > 10 66 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000028858845C60, 16 bytes long.
Data: <èe„X > E8 65 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028858846070, 16 bytes long.
Data: <Àe„X > C0 65 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028858844800, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000028858846200, 16 bytes long.
Data: <x¿‚X > 78 BF 82 58 88 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028858840F90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000288588458A0, 16 bytes long.
Data: <P¿‚X > 50 BF 82 58 88 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000028858845EE0, 16 bytes long.
Data: <(¿‚X > 28 BF 82 58 88 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000028858845C10, 16 bytes long.
Data: < ¿‚X > 00 BF 82 58 88 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028858846160, 16 bytes long.
Data: <ؾ‚X > D8 BE 82 58 88 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000288588455D0, 16 bytes long.
Data: <°¾‚X > B0 BE 82 58 88 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028858846020, 16 bytes long.
Data: < ¾‚X > 88 BE 82 58 88 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000288588413B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000288588462F0, 16 bytes long.
Data: <`¾‚X > 60 BE 82 58 88 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002885882BE60, 320 bytes long.
Data: <ðb„X ° „X > F0 62 84 58 88 02 00 00 B0 13 84 58 88 02 00 00
{275} normal block at 0x00000288588458F0, 16 bytes long.
Data: < e„X > A0 65 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028858845760, 16 bytes long.
Data: <xe„X > 78 65 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000028858840E70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000028858845580, 16 bytes long.
Data: <Pe„X > 50 65 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028858841350, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000028858845BC0, 16 bytes long.
Data: < d„X > 98 64 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028858846110, 16 bytes long.
Data: <pd„X > 70 64 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000028858845490, 16 bytes long.
Data: <Hd„X > 48 64 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028858845F30, 16 bytes long.
Data: < d„X > 20 64 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028858845FD0, 16 bytes long.
Data: <øc„X > F8 63 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028858846250, 16 bytes long.
Data: <Ðc„X > D0 63 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028858845710, 16 bytes long.
Data: < J„X > A0 4A 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000028858844AA0, 40 bytes long.
Data: < W„X q^Z > 10 57 84 58 88 02 00 00 20 71 5E 5A 88 02 00 00
{261} normal block at 0x00000288588454E0, 16 bytes long.
Data: <°c„X > B0 63 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000028858845B70, 16 bytes long.
Data: < c„X > 88 63 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000288588412F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000028858845B20, 16 bytes long.
Data: <`c„X > 60 63 84 58 88 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000028858846360, 992 bytes long.
Data: < [„X ð „X > 20 5B 84 58 88 02 00 00 F0 12 84 58 88 02 00 00
{93} normal block at 0x0000028858840F30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002885883D070, 16 bytes long.
Data: < Å‚X > 20 C5 82 58 88 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002885882C520, 40 bytes long.
Data: <pЃX 0 „X > 70 D0 83 58 88 02 00 00 30 0F 84 58 88 02 00 00
{70} normal block at 0x000002885883D660, 16 bytes long.
Data: < êŸÑ÷ > 80 EA 9F D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002885883DB10, 16 bytes long.
Data: <@éŸÑ÷ > 40 E9 9F D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002885883D840, 16 bytes long.
Data: <øWœÑ÷ > F8 57 9C D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002885883D610, 16 bytes long.
Data: <ØWœÑ÷ > D8 57 9C D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002885883D9D0, 16 bytes long.
Data: <P œÑ÷ > 50 04 9C D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002885883D340, 16 bytes long.
Data: <0 œÑ÷ > 30 04 9C D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002885883D570, 16 bytes long.
Data: <à œÑ÷ > E0 02 9C D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002885883D5C0, 16 bytes long.
Data: < œÑ÷ > 10 04 9C D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002885883D020, 16 bytes long.
Data: <p œÑ÷ > 70 04 9C D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002885883D2A0, 16 bytes long.
Data: < ÀšÑ÷ > 18 C0 9A D1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra