Task 38581271
| Name | PFKFB3_A39_A10_r0_2-QUICO_ATM_GAFF2_LOMAP_PFKFB3-0-5-RND7400_0 |
| Workunit | 31545797 |
| Created | 12 Dec 2025, 10:41:48 UTC |
| Sent | 12 Dec 2025, 10:41:54 UTC |
| Report deadline | 17 Dec 2025, 10:41:54 UTC |
| Received | 13 Dec 2025, 9:40:13 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628418 |
| Run time | 2 min 36 sec |
| CPU time | 46 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 9,334.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 585.24 MB |
| Peak swap size | 9.65 GB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
09:37:41 (25800): wrapper (7.9.26016): starting
09:37:41 (25800): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A10_0.pdb
QB_A39_A10_0.xml
QB_A39_A10_equil.pdb
QB_A39_A10.inpcrd
QB_A39_A10_input.yaml
QB_A39_A10_mdlambda.pdb
QB_A39_A10_min.pdb
QB_A39_A10_npt.pdb
QB_A39_A10.pdb
QB_A39_A10.prmtop
QB_A39_A10_sys.xml
QB_A39_A10_therm.pdb
run.bat
run.sh
09:37:44 (25800): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:37:44 (25800): 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 'D:\BOINC_DATA\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 'D:\BOINC_DATA\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 "D:\BOINC_DATA\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 212, in _update_replica
pot = job['openmm_worker'].get_energy()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 451, in get_energy
return self._worker_getenergy()
^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 400, in _worker_getenergy
state = self.simulation.context.getState(getEnergy = True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\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 energySum: CUDA_ERROR_ILLEGAL_ADDRESS (700)
09:38:51 (25800): C:/Windows/system32/cmd.exe exited; CPU time 46.781250
09:38:51 (25800): app exit status: 0x16
09:38:51 (25800): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 1337713 bytes.
Dumping objects ->
{3835325} normal block at 0x000002CE731C1250, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835314} normal block at 0x000002CE73305260, 32 bytes long.
Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835303} normal block at 0x000002CE73304FC0, 32 bytes long.
Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835292} normal block at 0x000002CE733051A0, 32 bytes long.
Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835281} normal block at 0x000002CE73304480, 32 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835250} normal block at 0x000002CE731C0ED0, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835239} normal block at 0x000002CE731CA630, 180 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) : {3835236} normal block at 0x000002CE714F7000, 8 bytes long.
Data: < JqÎ > 00 00 4A 71 CE 02 00 00
{3834594} normal block at 0x000002CE731C9EB0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000002CE714F6D30, 8 bytes long.
Data: < q0sÎ > 90 71 30 73 CE 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002CE71501B00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002CE714EC420, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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Data: <8=PqÎ > 38 3D 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002CE715031D0, 16 bytes long.
Data: < =PqÎ > 10 3D 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002CE714FBF70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000002CE71503180, 16 bytes long.
Data: <è<PqÎ > E8 3C 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002CE71503130, 16 bytes long.
Data: <À<PqÎ > C0 3C 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002CE715030E0, 16 bytes long.
Data: < <PqÎ > 98 3C 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002CE71503040, 16 bytes long.
Data: <p<PqÎ > 70 3C 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002CE714FD0D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000002CE71502FF0, 16 bytes long.
Data: < ÐOqÎ > 18 D0 4F 71 CE 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002CE714FC210, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000002CE71503540, 16 bytes long.
Data: <ðÏOqÎ > F0 CF 4F 71 CE 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002CE71502B90, 16 bytes long.
Data: <ÈÏOqÎ > C8 CF 4F 71 CE 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002CE71502E60, 16 bytes long.
Data: < ÏOqÎ > A0 CF 4F 71 CE 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002CE715034A0, 16 bytes long.
Data: <xÏOqÎ > 78 CF 4F 71 CE 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002CE71503270, 16 bytes long.
Data: <PÏOqÎ > 50 CF 4F 71 CE 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002CE71502FA0, 16 bytes long.
Data: <(ÏOqÎ > 28 CF 4F 71 CE 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002CE714FB430, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000002CE715034F0, 16 bytes long.
Data: < ÏOqÎ > 00 CF 4F 71 CE 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002CE714FCF00, 320 bytes long.
Data: <ð4PqÎ 0´OqÎ > F0 34 50 71 CE 02 00 00 30 B4 4F 71 CE 02 00 00
{278} normal block at 0x000002CE71503400, 16 bytes long.
Data: <P<PqÎ > 50 3C 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002CE71502E10, 16 bytes long.
Data: <(<PqÎ > 28 3C 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002CE714FB5B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000002CE71502B40, 16 bytes long.
Data: < <PqÎ > 00 3C 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002CE714FB850, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000002CE71502EB0, 16 bytes long.
Data: <H;PqÎ > 48 3B 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002CE71502AF0, 16 bytes long.
Data: < ;PqÎ > 20 3B 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002CE71502D70, 16 bytes long.
Data: <ø:PqÎ > F8 3A 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002CE71502AA0, 16 bytes long.
Data: <Ð:PqÎ > D0 3A 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002CE71502F50, 16 bytes long.
Data: <¨:PqÎ > A8 3A 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002CE71503090, 16 bytes long.
Data: < :PqÎ > 80 3A 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002CE715033B0, 16 bytes long.
Data: <Ð×OqÎ > D0 D7 4F 71 CE 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002CE714FD7D0, 40 bytes long.
Data: <°3PqÎ Ð sÎ > B0 33 50 71 CE 02 00 00 D0 0E 1C 73 CE 02 00 00
{264} normal block at 0x000002CE71502A50, 16 bytes long.
Data: <`:PqÎ > 60 3A 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002CE71502C80, 16 bytes long.
Data: <8:PqÎ > 38 3A 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002CE714FC0F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000002CE71503900, 16 bytes long.
Data: < :PqÎ > 10 3A 50 71 CE 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002CE71503A10, 992 bytes long.
Data: < 9PqÎ ðÀOqÎ > 00 39 50 71 CE 02 00 00 F0 C0 4F 71 CE 02 00 00
{96} normal block at 0x000002CE714FBDF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000002CE714F6E70, 16 bytes long.
Data: < ÓOqÎ > 00 D3 4F 71 CE 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002CE714FD300, 40 bytes long.
Data: <pnOqÎ ð½OqÎ > 70 6E 4F 71 CE 02 00 00 F0 BD 4F 71 CE 02 00 00
{73} normal block at 0x000002CE714F6AB0, 16 bytes long.
Data: < ê ö > 80 EA 03 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002CE714F72D0, 16 bytes long.
Data: <@é ö > 40 E9 03 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002CE714F6BA0, 16 bytes long.
Data: <øW ö > F8 57 00 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002CE714F7190, 16 bytes long.
Data: <ØW ö > D8 57 00 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002CE714F66A0, 16 bytes long.
Data: <P ö > 50 04 00 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002CE714F6880, 16 bytes long.
Data: <0 ö > 30 04 00 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002CE714F71E0, 16 bytes long.
Data: <à ö > E0 02 00 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002CE714F6A60, 16 bytes long.
Data: < ö > 10 04 00 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002CE714F6A10, 16 bytes long.
Data: <p ö > 70 04 00 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002CE714F7050, 16 bytes long.
Data: < Àþ ö > 18 C0 FE 80 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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