Task 38598228
| Name | JNK1_A10_A09_r0_5-QUICO_ATM_GAFF2_NAGL_JNK1-0-6-RND6686_4 |
| Workunit | 31552665 |
| Created | 8 Apr 2026, 9:08:58 UTC |
| Sent | 8 Apr 2026, 9:15:57 UTC |
| Report deadline | 13 Apr 2026, 9:15:57 UTC |
| Received | 8 Apr 2026, 21:37:35 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 494387 |
| Run time | 12 hours 2 min 26 sec |
| CPU time | 10 hours 46 min 39 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 12,958.01 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 578.39 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.87 GB |
Stderr output
<core_client_version>7.22.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run %1.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
05:33:28 (22504): wrapper (7.9.26016): starting
05:33:28 (22504): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A09_0.pdb
QB_A10_A09_0.xml
QB_A10_A09.inpcrd
QB_A10_A09_input.yaml
QB_A10_A09.pdb
QB_A10_A09.prmtop
QB_A10_A09_sys.xml
run.bat
run.sh
05:33:30 (22504): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:33:30 (22504): 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 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_LAUNCH_FAILED (719)
17:36:15 (22504): C:/Windows/system32/cmd.exe exited; CPU time 38799.828125
17:36:15 (22504): app exit status: 0x16
17:36:15 (22504): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 628715179 bytes.
Dumping objects ->
{3835307} normal block at 0x000002824905C8A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835296} normal block at 0x000002824905CDE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835285} normal block at 0x000002824905C280, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835274} normal block at 0x000002824905C0C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835263} normal block at 0x000002824905CB40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835232} normal block at 0x000002824AE06FC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835221} normal block at 0x000002824AC3D330, 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) : {3835218} normal block at 0x000002824902E120, 8 bytes long.
Data: < NI‚ > 00 00 4E 49 82 02 00 00
{3834577} normal block at 0x000002824AC3C8A0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000002824902E0D0, 8 bytes long.
Data: < åÃJ‚ > 00 E5 C3 4A 82 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000028249026570, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028249024A50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000028249039200, 16 bytes long.
Data: <øž I‚ > F8 9E 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028249039480, 16 bytes long.
Data: <О I‚ > D0 9E 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028249034890, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000282490394D0, 16 bytes long.
Data: <¨ž I‚ > A8 9E 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028249038F80, 16 bytes long.
Data: < ž I‚ > 80 9E 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000282490391B0, 16 bytes long.
Data: <Xž I‚ > 58 9E 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000282490399D0, 16 bytes long.
Data: <0ž I‚ > 30 9E 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000282490330B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000028249039930, 16 bytes long.
Data: <ø. I‚ > F8 2E 02 49 82 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000282490349B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000282490398E0, 16 bytes long.
Data: <Ð. I‚ > D0 2E 02 49 82 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028249039430, 16 bytes long.
Data: <¨. I‚ > A8 2E 02 49 82 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028249039520, 16 bytes long.
Data: < . I‚ > 80 2E 02 49 82 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028249039890, 16 bytes long.
Data: <X. I‚ > 58 2E 02 49 82 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028249039980, 16 bytes long.
Data: <0. I‚ > 30 2E 02 49 82 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028249038EE0, 16 bytes long.
Data: < . I‚ > 08 2E 02 49 82 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028249034DD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000282490397A0, 16 bytes long.
Data: <à- I‚ > E0 2D 02 49 82 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028249022DE0, 320 bytes long.
Data: < — I‚ ÐM I‚ > A0 97 03 49 82 02 00 00 D0 4D 03 49 82 02 00 00
{273} normal block at 0x0000028249038C60, 16 bytes long.
Data: < ž I‚ > 10 9E 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028249038D00, 16 bytes long.
Data: <è I‚ > E8 9D 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028249034BF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000028249039700, 16 bytes long.
Data: <À I‚ > C0 9D 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028249034950, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000028249039160, 16 bytes long.
Data: < I‚ > 08 9D 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000282490395C0, 16 bytes long.
Data: <àœ I‚ > E0 9C 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028249039A20, 16 bytes long.
Data: <¸œ I‚ > B8 9C 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000282490396B0, 16 bytes long.
Data: < œ I‚ > 90 9C 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000282490390C0, 16 bytes long.
Data: <hœ I‚ > 68 9C 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028249039390, 16 bytes long.
Data: <@œ I‚ > 40 9C 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028249039AC0, 16 bytes long.
Data: <@0 I‚ > 40 30 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000028249033040, 40 bytes long.
Data: <Àš I‚ ÀoàJ‚ > C0 9A 03 49 82 02 00 00 C0 6F E0 4A 82 02 00 00
{259} normal block at 0x0000028249039110, 16 bytes long.
Data: < œ I‚ > 20 9C 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000028249039840, 16 bytes long.
Data: <ø› I‚ > F8 9B 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000028249034830, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000028249039020, 16 bytes long.
Data: <Л I‚ > D0 9B 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000028249039BD0, 992 bytes long.
Data: < I‚ 0H I‚ > 20 90 03 49 82 02 00 00 30 48 03 49 82 02 00 00
{91} normal block at 0x0000028249034D10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000002824902DDB0, 16 bytes long.
Data: <p2 I‚ > 70 32 03 49 82 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000028249033270, 40 bytes long.
Data: <°Ý I‚ M I‚ > B0 DD 02 49 82 02 00 00 10 4D 03 49 82 02 00 00
{68} normal block at 0x000002824902E030, 16 bytes long.
Data: < êÌÛ÷ > 80 EA CC DB F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002824902DFE0, 16 bytes long.
Data: <@éÌÛ÷ > 40 E9 CC DB F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002824902E300, 16 bytes long.
Data: <øWÉÛ÷ > F8 57 C9 DB F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002824902DEA0, 16 bytes long.
Data: <ØWÉÛ÷ > D8 57 C9 DB F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002824902D900, 16 bytes long.
Data: <P ÉÛ÷ > 50 04 C9 DB F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002824902DA90, 16 bytes long.
Data: <0 ÉÛ÷ > 30 04 C9 DB F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002824902E850, 16 bytes long.
Data: <à ÉÛ÷ > E0 02 C9 DB F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002824902DC20, 16 bytes long.
Data: < ÉÛ÷ > 10 04 C9 DB F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002824902DBD0, 16 bytes long.
Data: <p ÉÛ÷ > 70 04 C9 DB F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002824902E620, 16 bytes long.
Data: < ÀÇÛ÷ > 18 C0 C7 DB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra