Task 38582324
| Name | PFKFB3_A28_A07_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND2719_0 |
| Workunit | 31546650 |
| Created | 13 Dec 2025, 1:51:13 UTC |
| Sent | 13 Dec 2025, 1:51:18 UTC |
| Report deadline | 18 Dec 2025, 1:51:18 UTC |
| Received | 13 Dec 2025, 2:49:00 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 645040 |
| Run time | 52 min 57 sec |
| CPU time | 52 min 57 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 11,341.56 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.00 MB |
| Peak swap size | 3.86 GB |
| Peak disk usage | 3.20 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
02:55:44 (4308): wrapper (7.9.26016): starting
02:55:44 (4308): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A07_0.pdb
QB_A28_A07_0.xml
QB_A28_A07_equil.pdb
QB_A28_A07.inpcrd
QB_A28_A07_input.yaml
QB_A28_A07_mdlambda.pdb
QB_A28_A07_min.pdb
QB_A28_A07_npt.pdb
QB_A28_A07.pdb
QB_A28_A07.prmtop
QB_A28_A07_sys.xml
QB_A28_A07_therm.pdb
run.bat
run.sh
02:55:46 (4308): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:55:46 (4308): 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_UNKNOWN (999)
03:47:11 (4308): C:/Windows/system32/cmd.exe exited; CPU time 3177.359375
03:47:11 (4308): app exit status: 0x16
03:47:11 (4308): called boinc_finish(195)
0 bytes in 0 Free Blocks.
726 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: 32592023 bytes.
Dumping objects ->
{3835306} normal block at 0x000002C5CE0F6250, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835295} normal block at 0x000002C5CE0F6170, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835284} normal block at 0x000002C5CE0F5FB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835273} normal block at 0x000002C5CE0F5ED0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x000002C5CE0F63A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835231} normal block at 0x000002C5CFD3BCB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x000002C5CE0CF630, 235 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) : {3835217} normal block at 0x000002C5CE0C6A30, 8 bytes long.
Data: < «ÏÅ > 00 00 AB CF C5 02 00 00
{3834578} normal block at 0x000002C5CE0CF3D0, 235 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 0x000002C5CE0C6AD0, 8 bytes long.
Data: <ðå ÎÅ > F0 E5 1A CE C5 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002C5CE0D1520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002C5CE0D2460, 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 0x000002C5CE0D3320, 16 bytes long.
Data: <ø9 ÎÅ > F8 39 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002C5CE0D28D0, 16 bytes long.
Data: <Ð9 ÎÅ > D0 39 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002C5CE0CD300, 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 0x000002C5CE0D2D80, 16 bytes long.
Data: <¨9 ÎÅ > A8 39 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002C5CE0D32D0, 16 bytes long.
Data: < 9 ÎÅ > 80 39 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C5CE0D26F0, 16 bytes long.
Data: <X9 ÎÅ > 58 39 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C5CE0D2F60, 16 bytes long.
Data: <09 ÎÅ > 30 39 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C5CE0CBAE0, 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 0x000002C5CE0D2CE0, 16 bytes long.
Data: <ø# ÎÅ > F8 23 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002C5CE0CCEE0, 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 0x000002C5CE0D2650, 16 bytes long.
Data: <Ð# ÎÅ > D0 23 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002C5CE0D3280, 16 bytes long.
Data: <¨# ÎÅ > A8 23 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C5CE0D2F10, 16 bytes long.
Data: < # ÎÅ > 80 23 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002C5CE0D2EC0, 16 bytes long.
Data: <X# ÎÅ > 58 23 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C5CE0D34B0, 16 bytes long.
Data: <0# ÎÅ > 30 23 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002C5CE0D29C0, 16 bytes long.
Data: < # ÎÅ > 08 23 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C5CE0CD540, 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 0x000002C5CE0D3050, 16 bytes long.
Data: <à" ÎÅ > E0 22 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002C5CE0D22E0, 320 bytes long.
Data: <P0 ÎÅ @Õ ÎÅ > 50 30 0D CE C5 02 00 00 40 D5 0C CE C5 02 00 00
{269} normal block at 0x000002C5CE0D2970, 16 bytes long.
Data: < 9 ÎÅ > 10 39 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002C5CE0D3410, 16 bytes long.
Data: <è8 ÎÅ > E8 38 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C5CE0CD2A0, 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 0x000002C5CE0D3000, 16 bytes long.
Data: <À8 ÎÅ > C0 38 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002C5CE0CD960, 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 0x000002C5CE0D2E70, 16 bytes long.
Data: < 8 ÎÅ > 08 38 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002C5CE0D2600, 16 bytes long.
Data: <à7 ÎÅ > E0 37 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002C5CE0D2C40, 16 bytes long.
Data: <¸7 ÎÅ > B8 37 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002C5CE0D2880, 16 bytes long.
Data: < 7 ÎÅ > 90 37 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002C5CE0D2830, 16 bytes long.
Data: <h7 ÎÅ > 68 37 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002C5CE0D3230, 16 bytes long.
Data: <@7 ÎÅ > 40 37 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002C5CE0D2DD0, 16 bytes long.
Data: < ¶ ÎÅ > 10 B6 0C CE C5 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002C5CE0CB610, 40 bytes long.
Data: <Ð- ÎÅ °¼ÓÏÅ > D0 2D 0D CE C5 02 00 00 B0 BC D3 CF C5 02 00 00
{255} normal block at 0x000002C5CE0D2D30, 16 bytes long.
Data: < 7 ÎÅ > 20 37 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002C5CE0D2E20, 16 bytes long.
Data: <ø6 ÎÅ > F8 36 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002C5CE0CDAE0, 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 0x000002C5CE0D31E0, 16 bytes long.
Data: <Ð6 ÎÅ > D0 36 0D CE C5 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000002C5CE0D36D0, 992 bytes long.
Data: <à1 ÎÅ àÚ ÎÅ > E0 31 0D CE C5 02 00 00 E0 DA 0C CE C5 02 00 00
{87} normal block at 0x000002C5CE0CD240, 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 0x000002C5CE0C6E40, 16 bytes long.
Data: < º ÎÅ > 00 BA 0C CE C5 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000002C5CE0CBA00, 40 bytes long.
Data: <@n ÎÅ @Ò ÎÅ > 40 6E 0C CE C5 02 00 00 40 D2 0C CE C5 02 00 00
{64} normal block at 0x000002C5CE0C6F30, 16 bytes long.
Data: < ê Ê÷ > 80 EA 0C CA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002C5CE0C6F80, 16 bytes long.
Data: <@é Ê÷ > 40 E9 0C CA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002C5CE0C77A0, 16 bytes long.
Data: <øW Ê÷ > F8 57 09 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002C5CE0C6B70, 16 bytes long.
Data: <ØW Ê÷ > D8 57 09 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002C5CE0C7750, 16 bytes long.
Data: <P Ê÷ > 50 04 09 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002C5CE0C68A0, 16 bytes long.
Data: <0 Ê÷ > 30 04 09 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002C5CE0C6D00, 16 bytes long.
Data: <à Ê÷ > E0 02 09 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002C5CE0C6C60, 16 bytes long.
Data: < Ê÷ > 10 04 09 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002C5CE0C7340, 16 bytes long.
Data: <p Ê÷ > 70 04 09 CA F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002C5CE0C6CB0, 16 bytes long.
Data: < À Ê÷ > 18 C0 07 CA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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