Task 38619267
| Name | p38_2_A04_A01_r0_5-QUICO_ATM_OpenFF_NAGL_p38_2-4-6-RND5377_0 |
| Workunit | 31570648 |
| Created | 18 Apr 2026, 20:16:05 UTC |
| Sent | 18 Apr 2026, 20:16:21 UTC |
| Report deadline | 23 Apr 2026, 20:16:21 UTC |
| Received | 19 Apr 2026, 7:05:14 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 603594 |
| Run time | 1 hours 14 min 23 sec |
| CPU time | 1 hours 12 min 27 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,487.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 666.44 MB |
| Peak swap size | 6.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
01:49:20 (11300): wrapper (7.9.26016): starting
01:49:20 (11300): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A01_0.pdb
QB_A04_A01_0.xml
QB_A04_A01.inpcrd
QB_A04_A01_input.yaml
QB_A04_A01.pdb
QB_A04_A01.prmtop
QB_A04_A01_sys.xml
run.bat
run.sh
01:49:21 (11300): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:49:21 (11300): 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:\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 'D:\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 "D:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "D:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\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 "D:\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 "D:\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)
03:03:25 (11300): C:/Windows/system32/cmd.exe exited; CPU time 4347.781250
03:03:25 (11300): app exit status: 0x16
03:03:25 (11300): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 105766357 bytes.
Dumping objects ->
{3835567} normal block at 0x00000188E49E0920, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835556} normal block at 0x00000188E49E0ED0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835545} normal block at 0x00000188E49E1100, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835534} normal block at 0x00000188E49E0AE0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835523} normal block at 0x00000188E49E13A0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835492} normal block at 0x00000188E4ADAFC0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835479} normal block at 0x00000188E2E5E0B0, 8 bytes long.
Data: < %ã > 00 00 25 E3 88 01 00 00
{3833969} normal block at 0x00000188E2E5D7F0, 8 bytes long.
Data: <PÛäâ > 50 DB E4 E2 88 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000188E2E51090, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000188E2E52160, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x00000188E2E66BA0, 16 bytes long.
Data: <Øoæâ > D8 6F E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000188E2E666A0, 16 bytes long.
Data: <°oæâ > B0 6F E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000188E2E60030, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x00000188E2E66740, 16 bytes long.
Data: < oæâ > 88 6F E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000188E2E65E30, 16 bytes long.
Data: <`oæâ > 60 6F E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000188E2E66100, 16 bytes long.
Data: <8oæâ > 38 6F E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000188E2E65CF0, 16 bytes long.
Data: < oæâ > 10 6F E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000188E2E62090, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000188E2E664C0, 16 bytes long.
Data: < åâ > 98 0B E5 E2 88 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000188E2E60630, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000188E2E66380, 16 bytes long.
Data: <p åâ > 70 0B E5 E2 88 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000188E2E65F70, 16 bytes long.
Data: <H åâ > 48 0B E5 E2 88 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000188E2E66010, 16 bytes long.
Data: < åâ > 20 0B E5 E2 88 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000188E2E66240, 16 bytes long.
Data: <ø åâ > F8 0A E5 E2 88 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000188E2E66420, 16 bytes long.
Data: <Ð åâ > D0 0A E5 E2 88 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000188E2E66830, 16 bytes long.
Data: <¨ åâ > A8 0A E5 E2 88 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000188E2E60330, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x00000188E2E65DE0, 16 bytes long.
Data: < åâ > 80 0A E5 E2 88 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000188E2E50A80, 320 bytes long.
Data: <à]æâ 0 æâ > E0 5D E6 E2 88 01 00 00 30 03 E6 E2 88 01 00 00
{280} normal block at 0x00000188E2E65D90, 16 bytes long.
Data: <ðnæâ > F0 6E E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000188E2E667E0, 16 bytes long.
Data: <Ènæâ > C8 6E E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000188E2E5F910, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x00000188E2E66790, 16 bytes long.
Data: < næâ > A0 6E E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000188E2E60450, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x00000188E2E66B00, 16 bytes long.
Data: <èmæâ > E8 6D E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000188E2E666F0, 16 bytes long.
Data: <Àmæâ > C0 6D E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000188E2E66C40, 16 bytes long.
Data: < mæâ > 98 6D E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000188E2E65D40, 16 bytes long.
Data: <pmæâ > 70 6D E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000188E2E669C0, 16 bytes long.
Data: <Hmæâ > 48 6D E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000188E2E66970, 16 bytes long.
Data: < mæâ > 20 6D E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000188E2E66600, 16 bytes long.
Data: <` æâ > 60 1E E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000188E2E61E60, 40 bytes long.
Data: < fæâ À¯­ä > 00 66 E6 E2 88 01 00 00 C0 AF AD E4 88 01 00 00
{266} normal block at 0x00000188E2E66A10, 16 bytes long.
Data: < mæâ > 00 6D E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000188E2E65F20, 16 bytes long.
Data: <Ølæâ > D8 6C E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000188E2E5F9D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x00000188E2E66B50, 16 bytes long.
Data: <°læâ > B0 6C E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000188E2E66CB0, 992 bytes long.
Data: <Pkæâ Ðùåâ > 50 6B E6 E2 88 01 00 00 D0 F9 E5 E2 88 01 00 00
{98} normal block at 0x00000188E2E5FE50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x00000188E2E5D890, 16 bytes long.
Data: <à æâ > E0 1A E6 E2 88 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000188E2E61AE0, 40 bytes long.
Data: < Øåâ Pþåâ > 90 D8 E5 E2 88 01 00 00 50 FE E5 E2 88 01 00 00
{75} normal block at 0x00000188E2E5E380, 16 bytes long.
Data: < ê\%÷ > 80 EA 5C 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000188E2E5DFC0, 16 bytes long.
Data: <@é\%÷ > 40 E9 5C 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000188E2E5E510, 16 bytes long.
Data: <øWY%÷ > F8 57 59 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000188E2E5D750, 16 bytes long.
Data: <ØWY%÷ > D8 57 59 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000188E2E5E330, 16 bytes long.
Data: <P Y%÷ > 50 04 59 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000188E2E5E240, 16 bytes long.
Data: <0 Y%÷ > 30 04 59 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000188E2E5D8E0, 16 bytes long.
Data: <à Y%÷ > E0 02 59 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000188E2E5DED0, 16 bytes long.
Data: < Y%÷ > 10 04 59 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000188E2E5D980, 16 bytes long.
Data: <p Y%÷ > 70 04 59 25 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000188E2E5E2E0, 16 bytes long.
Data: < ÀW%÷ > 18 C0 57 25 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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