Task 38670393
| Name | test_906-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND9325_0 |
| Workunit | 31612646 |
| Created | 25 Oct 2026, 17:23:56 UTC |
| Sent | 25 Oct 2026, 17:24:03 UTC |
| Report deadline | 30 Oct 2026, 17:24:03 UTC |
| Received | 26 Oct 2026, 1:52:56 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 652544 |
| Run time | 28 min 4 sec |
| CPU time | 25 min 11 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 17,076.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.21 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
02:24:40 (16996): wrapper (7.9.26016): starting
02:24:40 (16996): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
02:24:42 (16996): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:24:42 (16996): 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\27\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\27\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\27\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\27\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\27\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\27\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\27\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\27\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 212, in _update_replica
pot = job['openmm_worker'].get_energy()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\27\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
return self._worker_getenergy()
^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\27\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
state = self.simulation.context.getState(getEnergy = True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\27\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Particle coordinate is NaN. For more information, see https://github.com/openmm/openmm/wiki/Frequently-Asked-Questions#nan
02:50:29 (16996): C:/Windows/system32/cmd.exe exited; CPU time 1511.750000
02:50:29 (16996): app exit status: 0x16
02:50:29 (16996): 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: 38295529 bytes.
Dumping objects ->
{3835258} normal block at 0x0000023504AE1250, 48 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 0x0000023504AE13A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x0000023504AE0920, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835225} normal block at 0x0000023504AE0CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x0000023504AE1020, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835183} normal block at 0x0000023504B8B220, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x0000023504C79350, 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) : {3835169} normal block at 0x0000023502EF6230, 8 bytes long.
Data: < å 5 > 00 00 E5 02 35 02 00 00
{3834553} normal block at 0x0000023504C790E0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x0000023502EF58D0, 8 bytes long.
Data: <` ¾ 5 > 60 80 BE 04 35 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000023502F00BF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023502F01B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x0000023502F029A0, 16 bytes long.
Data: < /ð 5 > 18 2F F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023502F02950, 16 bytes long.
Data: <ð.ð 5 > F0 2E F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023502EFC2F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x0000023502F01F50, 16 bytes long.
Data: <È.ð 5 > C8 2E F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023502F01FF0, 16 bytes long.
Data: < .ð 5 > A0 2E F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023502F01E60, 16 bytes long.
Data: <x.ð 5 > 78 2E F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023502F024A0, 16 bytes long.
Data: <P.ð 5 > 50 2E F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023502EFA470, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x0000023502F02B80, 16 bytes long.
Data: <È ð 5 > C8 1A F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023502EFB8D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x0000023502F02450, 16 bytes long.
Data: <  ð 5 > A0 1A F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023502F02AE0, 16 bytes long.
Data: <x ð 5 > 78 1A F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023502F02310, 16 bytes long.
Data: <P ð 5 > 50 1A F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023502F026D0, 16 bytes long.
Data: <( ð 5 > 28 1A F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023502F027C0, 16 bytes long.
Data: < ð 5 > 00 1A F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023502F02270, 16 bytes long.
Data: <Ø ð 5 > D8 19 F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023502EFBDB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000023502F024F0, 16 bytes long.
Data: <° ð 5 > B0 19 F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023502F019B0, 320 bytes long.
Data: <ð$ð 5 °½ï 5 > F0 24 F0 02 35 02 00 00 B0 BD EF 02 35 02 00 00
{269} normal block at 0x0000023502F02B30, 16 bytes long.
Data: <0.ð 5 > 30 2E F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023502F028B0, 16 bytes long.
Data: < .ð 5 > 08 2E F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023502EFBB10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x0000023502F02630, 16 bytes long.
Data: <à-ð 5 > E0 2D F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023502EFBA50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x0000023502F02770, 16 bytes long.
Data: <(-ð 5 > 28 2D F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023502F02720, 16 bytes long.
Data: < -ð 5 > 00 2D F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023502F02810, 16 bytes long.
Data: <Ø,ð 5 > D8 2C F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023502F02130, 16 bytes long.
Data: <°,ð 5 > B0 2C F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023502F01E10, 16 bytes long.
Data: < ,ð 5 > 88 2C F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023502F022C0, 16 bytes long.
Data: <`,ð 5 > 60 2C F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000023502F01D70, 16 bytes long.
Data: <À¥ï 5 > C0 A5 EF 02 35 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023502EFA5C0, 40 bytes long.
Data: <p ð 5 ²¸ 5 > 70 1D F0 02 35 02 00 00 20 B2 B8 04 35 02 00 00
{255} normal block at 0x0000023502F02900, 16 bytes long.
Data: <@,ð 5 > 40 2C F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000023502F01FA0, 16 bytes long.
Data: < ,ð 5 > 18 2C F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000023502EFB750, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000023502F020E0, 16 bytes long.
Data: <ð+ð 5 > F0 2B F0 02 35 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000023502F02BF0, 992 bytes long.
Data: <à ð 5 P·ï 5 > E0 20 F0 02 35 02 00 00 50 B7 EF 02 35 02 00 00
{87} normal block at 0x0000023502EFB870, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000023502EF6280, 16 bytes long.
Data: < §ï 5 > 10 A7 EF 02 35 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000023502EFA710, 40 bytes long.
Data: < bï 5 p¸ï 5 > 80 62 EF 02 35 02 00 00 70 B8 EF 02 35 02 00 00
{64} normal block at 0x0000023502EF5420, 16 bytes long.
Data: < ê Êö > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023502EF5BA0, 16 bytes long.
Data: <@é Êö > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023502EF57E0, 16 bytes long.
Data: <øW Êö > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023502EF62D0, 16 bytes long.
Data: <ØW Êö > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023502EF61E0, 16 bytes long.
Data: <P Êö > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023502EF5C90, 16 bytes long.
Data: <0 Êö > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023502EF5600, 16 bytes long.
Data: <à Êö > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023502EF5D30, 16 bytes long.
Data: < Êö > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000023502EF5BF0, 16 bytes long.
Data: <p Êö > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000023502EF5B00, 16 bytes long.
Data: < À‹Êö > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra