Task 38637767
| Name | BACE_A16_A07_r0_4-QUICO_ATM_OpenFF23_NAGL_BACE-2-6-RND4618_0 |
| Workunit | 31585705 |
| Created | 29 Apr 2026, 20:31:42 UTC |
| Sent | 29 Apr 2026, 20:31:53 UTC |
| Report deadline | 4 May 2026, 20:31:53 UTC |
| Received | 29 Apr 2026, 20:40:33 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 514581 |
| Run time | 5 min |
| CPU time | 4 min |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,160.28 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 789.67 MB |
| Peak swap size | 12.62 GB |
| Peak disk usage | 2.98 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
22:32:55 (24168): wrapper (7.9.26016): starting
22:32:55 (24168): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A16_A07_0.pdb
QB_A16_A07_0.xml
QB_A16_A07.inpcrd
QB_A16_A07_input.yaml
QB_A16_A07.pdb
QB_A16_A07.prmtop
QB_A16_A07_sys.xml
run.bat
run.sh
22:32:56 (24168): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:32:56 (24168): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\1\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\1\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\1\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)
22:37:09 (24168): C:/Windows/system32/cmd.exe exited; CPU time 240.140625
22:37:09 (24168): app exit status: 0x16
22:37:09 (24168): called boinc_finish(195)
0 bytes in 0 Free Blocks.
426 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: 4858278 bytes.
Dumping objects ->
{3835625} normal block at 0x000002DEF4AB93E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835614} normal block at 0x000002DEF4AB90D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835603} normal block at 0x000002DEF2D86D30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835592} normal block at 0x000002DEF2D86CC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835581} normal block at 0x000002DEF2D86C50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835550} normal block at 0x000002DEF4A66690, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835539} normal block at 0x000002DEF4A7DFD0, 85 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) : {3835536} normal block at 0x000002DEF2D7E100, 8 bytes long.
Data: < ÐòÞ > 00 00 D0 F2 DE 02 00 00
{3834716} normal block at 0x000002DEF4A7E2F0, 85 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 0x000002DEF2D7DC00, 8 bytes long.
Data: < ÛÖòÞ > 80 DB D6 F2 DE 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002DEF2D70CA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002DEF2D72760, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000002DEF2D87880, 16 bytes long.
Data: < ‚ØòÞ > 08 82 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002DEF2D87510, 16 bytes long.
Data: <à ØòÞ > E0 81 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002DEF2D80690, 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 0x000002DEF2D87420, 16 bytes long.
Data: <¸ ØòÞ > B8 81 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002DEF2D87A60, 16 bytes long.
Data: < ØòÞ > 90 81 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002DEF2D87380, 16 bytes long.
Data: <h ØòÞ > 68 81 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002DEF2D873D0, 16 bytes long.
Data: <@ ØòÞ > 40 81 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002DEF2D867F0, 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 0x000002DEF2D877E0, 16 bytes long.
Data: <hòÖòÞ > 68 F2 D6 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002DEF2D7FAF0, 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 0x000002DEF2D87600, 16 bytes long.
Data: <@òÖòÞ > 40 F2 D6 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002DEF2D87DD0, 16 bytes long.
Data: < òÖòÞ > 18 F2 D6 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002DEF2D87100, 16 bytes long.
Data: <ðñÖòÞ > F0 F1 D6 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002DEF2D87790, 16 bytes long.
Data: <ÈñÖòÞ > C8 F1 D6 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002DEF2D87330, 16 bytes long.
Data: < ñÖòÞ > A0 F1 D6 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002DEF2D86FC0, 16 bytes long.
Data: <xñÖòÞ > 78 F1 D6 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002DEF2D7FFD0, 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 0x000002DEF2D86F70, 16 bytes long.
Data: <PñÖòÞ > 50 F1 D6 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002DEF2D6F150, 320 bytes long.
Data: <poØòÞ Ð ×òÞ > 70 6F D8 F2 DE 02 00 00 D0 FF D7 F2 DE 02 00 00
{278} normal block at 0x000002DEF2D87D80, 16 bytes long.
Data: < ØòÞ > 20 81 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002DEF2D87A10, 16 bytes long.
Data: <ø ØòÞ > F8 80 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002DEF2D7FF10, 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 0x000002DEF2D871F0, 16 bytes long.
Data: <Ð ØòÞ > D0 80 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002DEF2D7FEB0, 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 0x000002DEF2D87010, 16 bytes long.
Data: < ØòÞ > 18 80 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002DEF2D876F0, 16 bytes long.
Data: <ð ØòÞ > F0 7F D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002DEF2D872E0, 16 bytes long.
Data: <È ØòÞ > C8 7F D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002DEF2D876A0, 16 bytes long.
Data: <  ØòÞ > A0 7F D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002DEF2D875B0, 16 bytes long.
Data: <x ØòÞ > 78 7F D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002DEF2D87470, 16 bytes long.
Data: <P ØòÞ > 50 7F D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002DEF2D87240, 16 bytes long.
Data: < gØòÞ > 80 67 D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002DEF2D86780, 40 bytes long.
Data: <@rØòÞ f¦ôÞ > 40 72 D8 F2 DE 02 00 00 90 66 A6 F4 DE 02 00 00
{264} normal block at 0x000002DEF2D87BA0, 16 bytes long.
Data: <0 ØòÞ > 30 7F D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002DEF2D871A0, 16 bytes long.
Data: < ØòÞ > 08 7F D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002DEF2D80150, 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 0x000002DEF2D874C0, 16 bytes long.
Data: <à~ØòÞ > E0 7E D8 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002DEF2D87EE0, 992 bytes long.
Data: <ÀtØòÞ P ØòÞ > C0 74 D8 F2 DE 02 00 00 50 01 D8 F2 DE 02 00 00
{96} normal block at 0x000002DEF2D800F0, 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 0x000002DEF2D7DC50, 16 bytes long.
Data: <à,×òÞ > E0 2C D7 F2 DE 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002DEF2D72CE0, 40 bytes long.
Data: <PÜ×òÞ ð ØòÞ > 50 DC D7 F2 DE 02 00 00 F0 00 D8 F2 DE 02 00 00
{73} normal block at 0x000002DEF2D7D660, 16 bytes long.
Data: < êwªö > 80 EA 77 AA F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002DEF2D7D700, 16 bytes long.
Data: <@éwªö > 40 E9 77 AA F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002DEF2D7D6B0, 16 bytes long.
Data: <øWtªö > F8 57 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002DEF2D7D930, 16 bytes long.
Data: <ØWtªö > D8 57 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002DEF2D7D8E0, 16 bytes long.
Data: <P tªö > 50 04 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002DEF2D7E0B0, 16 bytes long.
Data: <0 tªö > 30 04 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002DEF2D7D890, 16 bytes long.
Data: <à tªö > E0 02 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002DEF2D7E3D0, 16 bytes long.
Data: < tªö > 10 04 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002DEF2D7E420, 16 bytes long.
Data: <p tªö > 70 04 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002DEF2D7DE80, 16 bytes long.
Data: < Àrªö > 18 C0 72 AA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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