Task 38583479
| Name | JNK1_A25_A31_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND0612_1 |
| Workunit | 31545211 |
| Created | 14 Dec 2025, 6:25:29 UTC |
| Sent | 14 Dec 2025, 6:25:30 UTC |
| Report deadline | 19 Dec 2025, 6:25:30 UTC |
| Received | 16 Dec 2025, 20:12:27 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 622645 |
| Run time | 16 min 35 sec |
| CPU time | 9 min 36 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 46,098.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 717.90 MB |
| Peak swap size | 6.98 GB |
| Peak disk usage | 2.99 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:55:10 (12168): wrapper (7.9.26016): starting
20:55:10 (12168): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A31_0.pdb
QB_A25_A31_0.xml
QB_A25_A31_equil.pdb
QB_A25_A31.inpcrd
QB_A25_A31_input.yaml
QB_A25_A31_mdlambda.pdb
QB_A25_A31_min.pdb
QB_A25_A31_npt.pdb
QB_A25_A31_out_merged_nowater.pdb
QB_A25_A31.pdb
QB_A25_A31.prmtop
QB_A25_A31_sys.xml
QB_A25_A31_therm.pdb
run.bat
run.sh
20:55:12 (12168): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:55:12 (12168): 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\18\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\18\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\18\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\18\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\18\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\18\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\18\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_ILLEGAL_ADDRESS (700)
21:10:34 (12168): C:/Windows/system32/cmd.exe exited; CPU time 576.156250
21:10:34 (12168): app exit status: 0x16
21:10:34 (12168): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 18001087 bytes.
Dumping objects ->
{3835275} normal block at 0x000001B011AADD50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835264} normal block at 0x000001B011AAD880, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835253} normal block at 0x000001B00FE15170, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835242} normal block at 0x000001B00FE15100, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000001B00FE14F40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835200} normal block at 0x000001B011AFB180, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835189} normal block at 0x000001B011B0F0D0, 102 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) : {3835186} normal block at 0x000001B00FE0DD10, 8 bytes long.
Data: < ž ° > 00 00 9E 11 B0 01 00 00
{3834568} normal block at 0x000001B011B0E940, 102 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 0x000001B00FE0DC20, 8 bytes long.
Data: < ×ß ° > 90 D7 DF 0F B0 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001B00FE016C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B00FE027B0, 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 0x000001B00FE15E20, 16 bytes long.
Data: < lá ° > 08 6C E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B00FE15C40, 16 bytes long.
Data: <àká ° > E0 6B E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B00FE11510, 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 0x000001B00FE15D80, 16 bytes long.
Data: <¸ká ° > B8 6B E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B00FE15B50, 16 bytes long.
Data: < ká ° > 90 6B E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B00FE16230, 16 bytes long.
Data: <hká ° > 68 6B E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B00FE15B00, 16 bytes long.
Data: <@ká ° > 40 6B E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B00FE15330, 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 0x000001B00FE16280, 16 bytes long.
Data: <èòß ° > E8 F2 DF 0F B0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B00FE115D0, 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 0x000001B00FE159C0, 16 bytes long.
Data: <Àòß ° > C0 F2 DF 0F B0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B00FE16500, 16 bytes long.
Data: < òß ° > 98 F2 DF 0F B0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B00FE162D0, 16 bytes long.
Data: <pòß ° > 70 F2 DF 0F B0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B00FE166E0, 16 bytes long.
Data: <Hòß ° > 48 F2 DF 0F B0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B00FE15AB0, 16 bytes long.
Data: < òß ° > 20 F2 DF 0F B0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B00FE16550, 16 bytes long.
Data: <øñß ° > F8 F1 DF 0F B0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B00FE11A50, 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 0x000001B00FE16640, 16 bytes long.
Data: <Ðñß ° > D0 F1 DF 0F B0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B00FDFF1D0, 320 bytes long.
Data: <@fá ° P á ° > 40 66 E1 0F B0 01 00 00 50 1A E1 0F B0 01 00 00
{275} normal block at 0x000001B00FE15970, 16 bytes long.
Data: < ká ° > 20 6B E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B00FE15D30, 16 bytes long.
Data: <øjá ° > F8 6A E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B00FE117B0, 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 0x000001B00FE15BF0, 16 bytes long.
Data: <Ðjá ° > D0 6A E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B00FE11390, 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 0x000001B00FE167D0, 16 bytes long.
Data: < já ° > 18 6A E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B00FE15C90, 16 bytes long.
Data: <ðiá ° > F0 69 E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B00FE15FB0, 16 bytes long.
Data: <Èiá ° > C8 69 E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B00FE165F0, 16 bytes long.
Data: < iá ° > A0 69 E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B00FE15920, 16 bytes long.
Data: <xiá ° > 78 69 E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B00FE15DD0, 16 bytes long.
Data: <Piá ° > 50 69 E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B00FE15CE0, 16 bytes long.
Data: <`Ná ° > 60 4E E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B00FE14E60, 40 bytes long.
Data: <à\á ° ±¯ ° > E0 5C E1 0F B0 01 00 00 80 B1 AF 11 B0 01 00 00
{261} normal block at 0x000001B00FE16820, 16 bytes long.
Data: <0iá ° > 30 69 E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B00FE15BA0, 16 bytes long.
Data: < iá ° > 08 69 E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B00FE11810, 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 0x000001B00FE16780, 16 bytes long.
Data: <àhá ° > E0 68 E1 0F B0 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B00FE168E0, 992 bytes long.
Data: < gá ° á ° > 80 67 E1 0F B0 01 00 00 10 18 E1 0F B0 01 00 00
{93} normal block at 0x000001B00FE10F70, 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 0x000001B00FE0DB30, 16 bytes long.
Data: <Ðîß ° > D0 EE DF 0F B0 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001B00FDFEED0, 40 bytes long.
Data: <0Ûà ° p á ° > 30 DB E0 0F B0 01 00 00 70 0F E1 0F B0 01 00 00
{70} normal block at 0x000001B00FE0D5E0, 16 bytes long.
Data: < êÂ~÷ > 80 EA C2 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B00FE0DBD0, 16 bytes long.
Data: <@éÂ~÷ > 40 E9 C2 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B00FE0DA40, 16 bytes long.
Data: <øW¿~÷ > F8 57 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B00FE0D9F0, 16 bytes long.
Data: <ØW¿~÷ > D8 57 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B00FE0D680, 16 bytes long.
Data: <P ¿~÷ > 50 04 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B00FE0D810, 16 bytes long.
Data: <0 ¿~÷ > 30 04 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B00FE0D3B0, 16 bytes long.
Data: <à ¿~÷ > E0 02 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B00FE0D2C0, 16 bytes long.
Data: < ¿~÷ > 10 04 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B00FE0D7C0, 16 bytes long.
Data: <p ¿~÷ > 70 04 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B00FE0D950, 16 bytes long.
Data: < À½~÷ > 18 C0 BD 7E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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