Task 38613894
| Name | hif2a_A41_A38_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a-4-6-RND4632_0 |
| Workunit | 31566309 |
| Created | 17 Apr 2026, 3:51:42 UTC |
| Sent | 17 Apr 2026, 3:51:51 UTC |
| Report deadline | 22 Apr 2026, 3:51:51 UTC |
| Received | 17 Apr 2026, 12:15:42 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643393 |
| Run time | 33 min 29 sec |
| CPU time | 31 min 39 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,753.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 457.60 MB |
| Peak swap size | 3.56 GB |
| Peak disk usage | 2.88 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:41:28 (13568): wrapper (7.9.26016): starting
13:41:28 (13568): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A38_0.pdb
QB_A41_A38_0.xml
QB_A41_A38.inpcrd
QB_A41_A38_input.yaml
QB_A41_A38.pdb
QB_A41_A38.prmtop
QB_A41_A38_sys.xml
run.bat
run.sh
13:41:29 (13568): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:41:29 (13568): 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_LAUNCH_FAILED (719)
14:13:49 (13568): C:/Windows/system32/cmd.exe exited; CPU time 1899.437500
14:13:49 (13568): app exit status: 0x16
14:13:49 (13568): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 27310619 bytes.
Dumping objects ->
{3835216} normal block at 0x000001D8559F2140, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835205} normal block at 0x000001D8559F26F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835194} normal block at 0x000001D8559F2CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835183} normal block at 0x000001D8559F25A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x000001D8559F1F80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835141} normal block at 0x000001D855AAA9C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835130} normal block at 0x000001D855B47D40, 141 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) : {3835127} normal block at 0x000001D854076F50, 8 bytes long.
Data: < ÿSØ > 00 00 FF 53 D8 01 00 00
{3834529} normal block at 0x000001D855B48150, 141 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 0x000001D854076730, 8 bytes long.
Data: < ê TØ > 20 EA 15 54 D8 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001D854080770, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D8540817F0, 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 0x000001D854081D00, 16 bytes long.
Data: < - TØ > 88 2D 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D854082700, 16 bytes long.
Data: <`- TØ > 60 2D 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D854079390, 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 0x000001D8540825C0, 16 bytes long.
Data: <8- TØ > 38 2D 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D854082160, 16 bytes long.
Data: < - TØ > 10 2D 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D854082570, 16 bytes long.
Data: <è, TØ > E8 2C 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D8540826B0, 16 bytes long.
Data: <À, TØ > C0 2C 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D85407B4F0, 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 0x000001D854081E40, 16 bytes long.
Data: < TØ > 88 17 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D8540791B0, 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 0x000001D854082250, 16 bytes long.
Data: <` TØ > 60 17 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D854082660, 16 bytes long.
Data: <8 TØ > 38 17 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D8540824D0, 16 bytes long.
Data: < TØ > 10 17 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D854081940, 16 bytes long.
Data: <è TØ > E8 16 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D854081EE0, 16 bytes long.
Data: <À TØ > C0 16 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D854082110, 16 bytes long.
Data: < TØ > 98 16 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D8540795D0, 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 0x000001D854081E90, 16 bytes long.
Data: <p TØ > 70 16 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D854081670, 320 bytes long.
Data: < TØ Ð• TØ > 90 1E 08 54 D8 01 00 00 D0 95 07 54 D8 01 00 00
{269} normal block at 0x000001D854082750, 16 bytes long.
Data: < , TØ > A0 2C 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D854082520, 16 bytes long.
Data: <x, TØ > 78 2C 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D854079270, 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 0x000001D854081990, 16 bytes long.
Data: <P, TØ > 50 2C 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D854079150, 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 0x000001D854082480, 16 bytes long.
Data: < + TØ > 98 2B 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D854082070, 16 bytes long.
Data: <p+ TØ > 70 2B 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D854082200, 16 bytes long.
Data: <H+ TØ > 48 2B 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D854082840, 16 bytes long.
Data: < + TØ > 20 2B 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D854081B70, 16 bytes long.
Data: <ø* TØ > F8 2A 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D854082430, 16 bytes long.
Data: <Ð* TØ > D0 2A 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D854081AD0, 16 bytes long.
Data: <е TØ > D0 B5 07 54 D8 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D85407B5D0, 40 bytes long.
Data: <Ð TØ À©ªUØ > D0 1A 08 54 D8 01 00 00 C0 A9 AA 55 D8 01 00 00
{255} normal block at 0x000001D854081CB0, 16 bytes long.
Data: <°* TØ > B0 2A 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001D8540818F0, 16 bytes long.
Data: < * TØ > 88 2A 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001D854079450, 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 0x000001D8540820C0, 16 bytes long.
Data: <`* TØ > 60 2A 08 54 D8 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001D854082A60, 992 bytes long.
Data: <À TØ P” TØ > C0 20 08 54 D8 01 00 00 50 94 07 54 D8 01 00 00
{87} normal block at 0x000001D854079DB0, 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 0x000001D854076820, 16 bytes long.
Data: < ³ TØ > A0 B3 07 54 D8 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001D85407B3A0, 40 bytes long.
Data: < h TØ ° TØ > 20 68 07 54 D8 01 00 00 B0 9D 07 54 D8 01 00 00
{64} normal block at 0x000001D854076780, 16 bytes long.
Data: < êÚ ÷ > 80 EA DA A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D854077130, 16 bytes long.
Data: <@éÚ ÷ > 40 E9 DA A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D854076460, 16 bytes long.
Data: <øW× ÷ > F8 57 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D8540766E0, 16 bytes long.
Data: <ØW× ÷ > D8 57 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D8540763C0, 16 bytes long.
Data: <P × ÷ > 50 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D854076370, 16 bytes long.
Data: <0 × ÷ > 30 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001D854076DC0, 16 bytes long.
Data: <à × ÷ > E0 02 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001D854076D70, 16 bytes long.
Data: < × ÷ > 10 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001D8540767D0, 16 bytes long.
Data: <p × ÷ > 70 04 D7 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001D854076690, 16 bytes long.
Data: < ÀÕ ÷ > 18 C0 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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