Task 38584023
| Name | JNK1_A24_A14_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-1-5-RND3150_3 |
| Workunit | 31547597 |
| Created | 15 Dec 2025, 18:13:59 UTC |
| Sent | 15 Dec 2025, 18:14:02 UTC |
| Report deadline | 20 Dec 2025, 18:14:02 UTC |
| Received | 15 Dec 2025, 23:20:42 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 435554 |
| Run time | 4 hours 48 min 53 sec |
| CPU time | 4 hours 44 min 34 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 21,377.77 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 679.84 MB |
| Peak swap size | 5.38 GB |
| Peak disk usage | 3.45 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
19:21:45 (21132): wrapper (7.9.26016): starting
19:21:45 (21132): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A14_0.pdb
QB_A24_A14_0.xml
QB_A24_A14_equil.pdb
QB_A24_A14.inpcrd
QB_A24_A14_input.yaml
QB_A24_A14_mdlambda.pdb
QB_A24_A14_min.pdb
QB_A24_A14_npt.pdb
QB_A24_A14_out_merged_nowater.pdb
QB_A24_A14.pdb
QB_A24_A14.prmtop
QB_A24_A14_sys.xml
QB_A24_A14_therm.pdb
run.bat
run.sh
19:21:49 (21132): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:21:49 (21132): 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\6\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\6\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\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 169, in ProcessJobQueue
self.LaunchReplica(job['openmm_worker'], job['openmm_replica'], job['cycle'],
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 129, in LaunchReplica
worker.set_posvel(replica.positions, replica.velocities)
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\atom_openmm\ommworker.py", line 457, in set_posvel
self.context.setPositions(self.positions)
File "C:\ProgramData\BOINC\slots\6\Lib\site-packages\openmm\openmm.py", line 4795, in setPositions
return _openmm.Context_setPositions(self, positions)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_UNKNOWN (999)
00:18:23 (21132): C:/Windows/system32/cmd.exe exited; CPU time 17074.015625
00:18:23 (21132): app exit status: 0x16
00:18:23 (21132): called boinc_finish(195)
0 bytes in 0 Free Blocks.
686 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: 347729109 bytes.
Dumping objects ->
{3835508} normal block at 0x000001F3850F0920, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x000001F3850F0840, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835486} normal block at 0x000001F3850F1020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835475} normal block at 0x000001F3850F0D10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835464} normal block at 0x000001F3850F1250, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835433} normal block at 0x000001F3851E4540, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835422} normal block at 0x000001F38359E2E0, 215 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) : {3835419} normal block at 0x000001F383597AD0, 8 bytes long.
Data: < Vƒó > 00 00 56 83 F3 01 00 00
{3834701} normal block at 0x000001F383586710, 215 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833971} normal block at 0x000001F3835973A0, 8 bytes long.
Data: <ðG$…ó > F0 47 24 85 F3 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001F3835A2330, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001F3835A5460, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001F3835A34B0, 16 bytes long.
Data: <XLZƒó > 58 4C 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001F3835A3460, 16 bytes long.
Data: <0LZƒó > 30 4C 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F38359CD20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001F3835A3F50, 16 bytes long.
Data: < LZƒó > 08 4C 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F3835A35F0, 16 bytes long.
Data: <àKZƒó > E0 4B 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F3835A3A00, 16 bytes long.
Data: <¸KZƒó > B8 4B 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F3835A3410, 16 bytes long.
Data: < KZƒó > 90 4B 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F38359D100, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001F3835A4130, 16 bytes long.
Data: <xâYƒó > 78 E2 59 83 F3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F38359C360, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001F3835A3730, 16 bytes long.
Data: <PâYƒó > 50 E2 59 83 F3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F3835A4310, 16 bytes long.
Data: <(âYƒó > 28 E2 59 83 F3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F3835A3F00, 16 bytes long.
Data: < âYƒó > 00 E2 59 83 F3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F3835A4220, 16 bytes long.
Data: <ØáYƒó > D8 E1 59 83 F3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F3835A3C80, 16 bytes long.
Data: <°áYƒó > B0 E1 59 83 F3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F3835A35A0, 16 bytes long.
Data: < áYƒó > 88 E1 59 83 F3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F38359CEA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001F3835A40E0, 16 bytes long.
Data: <`áYƒó > 60 E1 59 83 F3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F38359E160, 320 bytes long.
Data: <à@Zƒó  ÎYƒó > E0 40 5A 83 F3 01 00 00 A0 CE 59 83 F3 01 00 00
{281} normal block at 0x000001F3835A3E10, 16 bytes long.
Data: <pKZƒó > 70 4B 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F3835A3910, 16 bytes long.
Data: <HKZƒó > 48 4B 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F38359C300, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001F3835A3C30, 16 bytes long.
Data: < KZƒó > 20 4B 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F38359CA20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001F3835A3AF0, 16 bytes long.
Data: <hJZƒó > 68 4A 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F3835A3EB0, 16 bytes long.
Data: <@JZƒó > 40 4A 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F3835A3820, 16 bytes long.
Data: < JZƒó > 18 4A 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F3835A3BE0, 16 bytes long.
Data: <ðIZƒó > F0 49 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F3835A37D0, 16 bytes long.
Data: <ÈIZƒó > C8 49 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F3835A3640, 16 bytes long.
Data: < IZƒó > A0 49 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F3835A4090, 16 bytes long.
Data: <pÑYƒó > 70 D1 59 83 F3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F38359D170, 40 bytes long.
Data: < @Zƒó @E …ó > 90 40 5A 83 F3 01 00 00 40 45 1E 85 F3 01 00 00
{267} normal block at 0x000001F3835A42C0, 16 bytes long.
Data: < IZƒó > 80 49 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F3835A38C0, 16 bytes long.
Data: <XIZƒó > 58 49 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F38359CA80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001F3835A4040, 16 bytes long.
Data: <0IZƒó > 30 49 5A 83 F3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F3835A4930, 992 bytes long.
Data: <@@Zƒó ÊYƒó > 40 40 5A 83 F3 01 00 00 80 CA 59 83 F3 01 00 00
{99} normal block at 0x000001F38359C720, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001F383597EE0, 16 bytes long.
Data: <ÐÕYƒó > D0 D5 59 83 F3 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001F38359D5D0, 40 bytes long.
Data: <à~Yƒó ÇYƒó > E0 7E 59 83 F3 01 00 00 20 C7 59 83 F3 01 00 00
{76} normal block at 0x000001F383597E90, 16 bytes long.
Data: < êFø÷ > 80 EA 46 F8 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001F383598160, 16 bytes long.
Data: <@éFø÷ > 40 E9 46 F8 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F383598070, 16 bytes long.
Data: <øWCø÷ > F8 57 43 F8 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F383597FD0, 16 bytes long.
Data: <ØWCø÷ > D8 57 43 F8 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F3835978F0, 16 bytes long.
Data: <P Cø÷ > 50 04 43 F8 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F383597DF0, 16 bytes long.
Data: <0 Cø÷ > 30 04 43 F8 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F383597D50, 16 bytes long.
Data: <à Cø÷ > E0 02 43 F8 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F383597D00, 16 bytes long.
Data: < Cø÷ > 10 04 43 F8 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F3835978A0, 16 bytes long.
Data: <p Cø÷ > 70 04 43 F8 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F383597350, 16 bytes long.
Data: < ÀAø÷ > 18 C0 41 F8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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