Task 38635099
| Name | BACE_A27_A16_r0_1-QUICO_ATM_OpenFF23_NAGL_BACE-0-6-RND4736_0 |
| Workunit | 31583575 |
| Created | 28 Apr 2026, 12:51:08 UTC |
| Sent | 28 Apr 2026, 12:56:51 UTC |
| Report deadline | 3 May 2026, 12:56:51 UTC |
| Received | 29 Apr 2026, 13:39:21 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 514581 |
| Run time | 17 min 32 sec |
| CPU time | 17 min 32 sec |
| 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 | 597.68 MB |
| Peak swap size | 12.60 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
13:25:53 (19928): wrapper (7.9.26016): starting
13:25:53 (19928): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A16_0.pdb
QB_A27_A16_0.xml
QB_A27_A16.inpcrd
QB_A27_A16_input.yaml
QB_A27_A16.pdb
QB_A27_A16.prmtop
QB_A27_A16_sys.xml
run.bat
run.sh
13:25:54 (19928): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:25:54 (19928): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835536} normal block at 0x000002AC0979E240, 8 bytes long.
Data: < > 00 00 C6 09 AC 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x000002AC0978DB80, 1080 bytes long.
Data: <\ > 5C 9F 00 00 CD CD CD CD F0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002AC097916F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:20:05 (38892): wrapper (7.9.26016): starting
15:20:05 (38892): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\1\tmp already exists.
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)
15:37:58 (38892): C:/Windows/system32/cmd.exe exited; CPU time 1052.046875
15:37:58 (38892): app exit status: 0x16
15:37:58 (38892): 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: 18381055 bytes.
Dumping objects ->
{3850308} normal block at 0x0000024952FFDD80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850297} normal block at 0x0000024952FFE170, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850286} normal block at 0x00000249513C6800, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3850275} normal block at 0x00000249513C6720, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850264} normal block at 0x00000249513C6D40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3850233} normal block at 0x000002495304BC60, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3850222} normal block at 0x000002495305E600, 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) : {3850219} normal block at 0x00000249513BD990, 8 bytes long.
Data: < 5QI > 00 00 35 51 49 02 00 00
{3849399} normal block at 0x000002495305D7A0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3848648} normal block at 0x00000249513BDAD0, 8 bytes long.
Data: < J<QI > 20 4A 3C 51 49 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000249513B16B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000249513B24A0, 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 0x00000249513C7E80, 16 bytes long.
Data: < ‚<QI > 18 82 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000249513C7980, 16 bytes long.
Data: <ð <QI > F0 81 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000249513BF8C0, 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 0x00000249513C7840, 16 bytes long.
Data: <È <QI > C8 81 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000249513C7CA0, 16 bytes long.
Data: <  <QI > A0 81 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000249513C6F30, 16 bytes long.
Data: <x <QI > 78 81 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000249513C7480, 16 bytes long.
Data: <P <QI > 50 81 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000249513C6C60, 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 0x00000249513C77F0, 16 bytes long.
Data: < ñ:QI > 18 F1 3A 51 49 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000249513BFBC0, 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 0x00000249513C78E0, 16 bytes long.
Data: <ðð:QI > F0 F0 3A 51 49 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000249513C7610, 16 bytes long.
Data: <Èð:QI > C8 F0 3A 51 49 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000249513C72F0, 16 bytes long.
Data: < ð:QI > A0 F0 3A 51 49 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000249513C75C0, 16 bytes long.
Data: <xð:QI > 78 F0 3A 51 49 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000249513C7E30, 16 bytes long.
Data: <Pð:QI > 50 F0 3A 51 49 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000249513C7B10, 16 bytes long.
Data: <(ð:QI > 28 F0 3A 51 49 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000249513BFAA0, 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 0x00000249513C7CF0, 16 bytes long.
Data: < ð:QI > 00 F0 3A 51 49 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000249513AF000, 320 bytes long.
Data: <ð|<QI  ú;QI > F0 7C 3C 51 49 02 00 00 A0 FA 3B 51 49 02 00 00
{278} normal block at 0x00000249513C7250, 16 bytes long.
Data: <0 <QI > 30 81 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000249513C7C50, 16 bytes long.
Data: < <QI > 08 81 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000249513BFDA0, 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 0x00000249513C7430, 16 bytes long.
Data: <à <QI > E0 80 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000249513BFA40, 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 0x00000249513C71B0, 16 bytes long.
Data: <( <QI > 28 80 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000249513C77A0, 16 bytes long.
Data: < <QI > 00 80 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000249513C7160, 16 bytes long.
Data: <Ø <QI > D8 7F 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000249513C7700, 16 bytes long.
Data: <° <QI > B0 7F 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000249513C7890, 16 bytes long.
Data: < <QI > 88 7F 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000249513C7660, 16 bytes long.
Data: <` <QI > 60 7F 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000249513C7750, 16 bytes long.
Data: < j<QI > A0 6A 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000249513C6AA0, 40 bytes long.
Data: <Pw<QI `¼ SI > 50 77 3C 51 49 02 00 00 60 BC 04 53 49 02 00 00
{264} normal block at 0x00000249513C73E0, 16 bytes long.
Data: <@ <QI > 40 7F 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000249513C7930, 16 bytes long.
Data: < <QI > 18 7F 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000249513C0040, 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 0x00000249513C72A0, 16 bytes long.
Data: <ð~<QI > F0 7E 3C 51 49 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000249513C7EF0, 992 bytes long.
Data: < r<QI @ <QI > A0 72 3C 51 49 02 00 00 40 00 3C 51 49 02 00 00
{96} normal block at 0x00000249513BF920, 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 0x00000249513BE110, 16 bytes long.
Data: <ð,;QI > F0 2C 3B 51 49 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000249513B2CF0, 40 bytes long.
Data: < á;QI ù;QI > 10 E1 3B 51 49 02 00 00 20 F9 3B 51 49 02 00 00
{73} normal block at 0x00000249513BD8A0, 16 bytes long.
Data: < 걬ö > 80 EA B1 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000249513BD620, 16 bytes long.
Data: <@鱬ö > 40 E9 B1 AC F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000249513BDA80, 16 bytes long.
Data: <øW®¬ö > F8 57 AE AC F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000249513BE390, 16 bytes long.
Data: <ØW®¬ö > D8 57 AE AC F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000249513BE250, 16 bytes long.
Data: <P ®¬ö > 50 04 AE AC F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000249513BDE40, 16 bytes long.
Data: <0 ®¬ö > 30 04 AE AC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000249513BD5D0, 16 bytes long.
Data: <à ®¬ö > E0 02 AE AC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000249513BE0C0, 16 bytes long.
Data: < ®¬ö > 10 04 AE AC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000249513BE480, 16 bytes long.
Data: <p ®¬ö > 70 04 AE AC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000249513BE020, 16 bytes long.
Data: < À¬¬ö > 18 C0 AC AC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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