Task 38619365
| Name | hif2a_A26_A16_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a-5-6-RND9709_0 |
| Workunit | 31570738 |
| Created | 18 Apr 2026, 21:18:45 UTC |
| Sent | 18 Apr 2026, 21:18:57 UTC |
| Report deadline | 23 Apr 2026, 21:18:57 UTC |
| Received | 19 Apr 2026, 20:49:02 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 609605 |
| Run time | 2 hours 10 min 9 sec |
| CPU time | 2 hours 5 min 46 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 8,683.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 445.49 MB |
| Peak swap size | 4.95 GB |
| Peak disk usage | 2.89 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:39:55 (15792): wrapper (7.9.26016): starting
12:39:55 (15792): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A16_0.pdb
QB_A26_A16_0.xml
QB_A26_A16.inpcrd
QB_A26_A16_input.yaml
QB_A26_A16.pdb
QB_A26_A16.prmtop
QB_A26_A16_sys.xml
run.bat
run.sh
12:39:56 (15792): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:39:56 (15792): 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:\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:\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.
13:30:24 (10628): wrapper (7.9.26016): starting
13:30:24 (10628): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
14:40:24 (17516): wrapper (7.9.26016): starting
14:40:24 (17516): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC\slots\0\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 "D:\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "D:\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "D:\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "D:\BOINC\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\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:\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:\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)
15:47:12 (17516): C:/Windows/system32/cmd.exe exited; CPU time 3988.953125
15:47:12 (17516): app exit status: 0x16
15:47:12 (17516): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 68220634 bytes.
Dumping objects ->
{3850204} normal block at 0x000001E1FF835710, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3850193} normal block at 0x000001E181641EC0, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3850182} normal block at 0x000001E181642640, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3850171} normal block at 0x000001E181641AA0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3850160} normal block at 0x000001E1816416E0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3850129} normal block at 0x000001E1FF835630, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3850116} normal block at 0x000001E1FF82E290, 8 bytes long.
Data: < Çÿá > 00 00 C7 FF E1 01 00 00
{3848646} normal block at 0x000001E1FF82DC00, 8 bytes long.
Data: <pÜ ÿá > 70 DC 81 FF E1 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E1FF8211A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E1FF8225D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001E1FF8367A0, 16 bytes long.
Data: < rƒÿá > 18 72 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E1FF835FD0, 16 bytes long.
Data: <ðqƒÿá > F0 71 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E1FF82FE70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001E1FF836B60, 16 bytes long.
Data: <Èqƒÿá > C8 71 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E1FF8367F0, 16 bytes long.
Data: < qƒÿá > A0 71 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E1FF836700, 16 bytes long.
Data: <xqƒÿá > 78 71 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E1FF8365C0, 16 bytes long.
Data: <Pqƒÿá > 50 71 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E1FF8359B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001E1FF8369D0, 16 bytes long.
Data: <È÷ ÿá > C8 F7 81 FF E1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E1FF82FBD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001E1FF8361B0, 16 bytes long.
Data: < ÷ ÿá > A0 F7 81 FF E1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E1FF836160, 16 bytes long.
Data: <x÷ ÿá > 78 F7 81 FF E1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E1FF836570, 16 bytes long.
Data: <P÷ ÿá > 50 F7 81 FF E1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E1FF836520, 16 bytes long.
Data: <(÷ ÿá > 28 F7 81 FF E1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E1FF836D90, 16 bytes long.
Data: < ÷ ÿá > 00 F7 81 FF E1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E1FF8364D0, 16 bytes long.
Data: <Øö ÿá > D8 F6 81 FF E1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E1FF830AD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001E1FF836E30, 16 bytes long.
Data: <°ö ÿá > B0 F6 81 FF E1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E1FF81F6B0, 320 bytes long.
Data: <0nƒÿá Ð ƒÿá > 30 6E 83 FF E1 01 00 00 D0 0A 83 FF E1 01 00 00
{277} normal block at 0x000001E1FF836480, 16 bytes long.
Data: <0qƒÿá > 30 71 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E1FF836610, 16 bytes long.
Data: < qƒÿá > 08 71 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E1FF8309B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001E1FF836070, 16 bytes long.
Data: <àpƒÿá > E0 70 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E1FF8307D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001E1FF836020, 16 bytes long.
Data: <(pƒÿá > 28 70 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E1FF836660, 16 bytes long.
Data: < pƒÿá > 00 70 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E1FF836430, 16 bytes long.
Data: <Øoƒÿá > D8 6F 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E1FF836110, 16 bytes long.
Data: <°oƒÿá > B0 6F 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E1FF8366B0, 16 bytes long.
Data: < oƒÿá > 88 6F 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E1FF8363E0, 16 bytes long.
Data: <`oƒÿá > 60 6F 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E1FF836390, 16 bytes long.
Data: <ðWƒÿá > F0 57 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E1FF8357F0, 40 bytes long.
Data: < cƒÿá 0Vƒÿá > 90 63 83 FF E1 01 00 00 30 56 83 FF E1 01 00 00
{263} normal block at 0x000001E1FF836A20, 16 bytes long.
Data: <@oƒÿá > 40 6F 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E1FF836840, 16 bytes long.
Data: < oƒÿá > 18 6F 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E1FF830770, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001E1FF836750, 16 bytes long.
Data: <ðnƒÿá > F0 6E 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E1FF836EF0, 992 bytes long.
Data: <Pgƒÿá p ƒÿá > 50 67 83 FF E1 01 00 00 70 07 83 FF E1 01 00 00
{95} normal block at 0x000001E1FF8300B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001E1FF82E740, 16 bytes long.
Data: < ƒÿá > 90 18 83 FF E1 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001E1FF831890, 40 bytes long.
Data: <@ç‚ÿá ° ƒÿá > 40 E7 82 FF E1 01 00 00 B0 00 83 FF E1 01 00 00
{72} normal block at 0x000001E1FF82DD90, 16 bytes long.
Data: < êY¹ö > 80 EA 59 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E1FF82DB10, 16 bytes long.
Data: <@éY¹ö > 40 E9 59 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E1FF82E060, 16 bytes long.
Data: <øWV¹ö > F8 57 56 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E1FF82DD40, 16 bytes long.
Data: <ØWV¹ö > D8 57 56 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E1FF82DAC0, 16 bytes long.
Data: <P V¹ö > 50 04 56 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E1FF82DCF0, 16 bytes long.
Data: <0 V¹ö > 30 04 56 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E1FF82E2E0, 16 bytes long.
Data: <à V¹ö > E0 02 56 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E1FF82DBB0, 16 bytes long.
Data: < V¹ö > 10 04 56 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E1FF82E380, 16 bytes long.
Data: <p V¹ö > 70 04 56 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E1FF82DCA0, 16 bytes long.
Data: < ÀT¹ö > 18 C0 54 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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