Task 38609820
| Name | p38_A03_A08_r0_3-QUICO_ATM_OpenFF_p38-1-6-RND0967_0 |
| Workunit | 31562818 |
| Created | 15 Apr 2026, 3:13:21 UTC |
| Sent | 15 Apr 2026, 3:13:26 UTC |
| Report deadline | 20 Apr 2026, 3:13:26 UTC |
| Received | 15 Apr 2026, 7:01:55 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 630577 |
| Run time | 2 hours 47 min 18 sec |
| CPU time | 2 hours 30 min 25 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 19,416.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 699.47 MB |
| Peak swap size | 6.87 GB |
| Peak disk usage | 3.05 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>
06:15:01 (11136): wrapper (7.9.26016): starting
06:15:01 (11136): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A08_0.pdb
QB_A03_A08_0.xml
QB_A03_A08.inpcrd
QB_A03_A08_input.yaml
QB_A03_A08.pdb
QB_A03_A08.prmtop
QB_A03_A08_sys.xml
run.bat
run.sh
06:15:02 (11136): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:15:02 (11136): 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:\BoincData\slots\2\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:\BoincData\slots\2\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:\BoincData\slots\2\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BoincData\slots\2\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "D:\BoincData\slots\2\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "D:\BoincData\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "D:\BoincData\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BoincData\slots\2\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BoincData\slots\2\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BoincData\slots\2\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)
09:00:26 (11136): C:/Windows/system32/cmd.exe exited; CPU time 9025.750000
09:00:26 (11136): app exit status: 0x16
09:00:26 (11136): called boinc_finish(195)
0 bytes in 0 Free Blocks.
380 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: 124597103 bytes.
Dumping objects ->
{3835256} normal block at 0x000001A185AF1330, 48 bytes long.
Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835245} normal block at 0x000001A185C35DF0, 32 bytes long.
Data: <HOME=D:\BoincDat> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835234} normal block at 0x000001A185C35970, 32 bytes long.
Data: <TMP=D:\BoincData> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 61
{3835223} normal block at 0x000001A185C35CD0, 32 bytes long.
Data: <TEMP=D:\BoincDat> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835212} normal block at 0x000001A185C35B50, 32 bytes long.
Data: <TMPDIR=D:\BoincD> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 44
{3835181} normal block at 0x000001A185AF0A00, 48 bytes long.
Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74
{3835170} normal block at 0x000001A185BFD050, 102 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) : {3835167} normal block at 0x000001A183F871C0, 8 bytes long.
Data: < œ…¡ > 00 00 9C 85 A1 01 00 00
{3834552} normal block at 0x000001A185BFDAA0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x000001A183F868B0, 8 bytes long.
Data: <@ ¿…¡ > 40 8F BF 85 A1 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001A183F915B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A183F75E90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
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Data: < :ùƒ¡ > 80 3A F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A183F8D3C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001A183F92410, 16 bytes long.
Data: <X:ùƒ¡ > 58 3A F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A183F93130, 16 bytes long.
Data: <0:ùƒ¡ > 30 3A F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A183F92FA0, 16 bytes long.
Data: < :ùƒ¡ > 08 3A F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A183F92820, 16 bytes long.
Data: <à9ùƒ¡ > E0 39 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A183F8BAD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001A183F92B40, 16 bytes long.
Data: <(^÷ƒ¡ > 28 5E F7 83 A1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A183F8D360, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001A183F92E60, 16 bytes long.
Data: < ^÷ƒ¡ > 00 5E F7 83 A1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A183F93040, 16 bytes long.
Data: <Ø]÷ƒ¡ > D8 5D F7 83 A1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A183F928C0, 16 bytes long.
Data: <°]÷ƒ¡ > B0 5D F7 83 A1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A183F93310, 16 bytes long.
Data: < ]÷ƒ¡ > 88 5D F7 83 A1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A183F92E10, 16 bytes long.
Data: <`]÷ƒ¡ > 60 5D F7 83 A1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A183F92AA0, 16 bytes long.
Data: <8]÷ƒ¡ > 38 5D F7 83 A1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A183F8D900, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001A183F92730, 16 bytes long.
Data: < ]÷ƒ¡ > 10 5D F7 83 A1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A183F75D10, 320 bytes long.
Data: <0'ùƒ¡ Ùøƒ¡ > 30 27 F9 83 A1 01 00 00 00 D9 F8 83 A1 01 00 00
{271} normal block at 0x000001A183F92CD0, 16 bytes long.
Data: <À9ùƒ¡ > C0 39 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001A183F92BE0, 16 bytes long.
Data: < 9ùƒ¡ > 98 39 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A183F8D180, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001A183F92690, 16 bytes long.
Data: <p9ùƒ¡ > 70 39 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A183F8D120, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001A183F92960, 16 bytes long.
Data: <¸8ùƒ¡ > B8 38 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A183F92460, 16 bytes long.
Data: < 8ùƒ¡ > 90 38 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A183F932C0, 16 bytes long.
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{263} normal block at 0x000001A183F925F0, 16 bytes long.
Data: <@8ùƒ¡ > 40 38 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A183F92D20, 16 bytes long.
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{261} normal block at 0x000001A183F92C30, 16 bytes long.
Data: <ð7ùƒ¡ > F0 37 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A183F923C0, 16 bytes long.
Data: < µøƒ¡ > 90 B5 F8 83 A1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001A183F8B590, 40 bytes long.
Data: <À#ùƒ¡ ¯…¡ > C0 23 F9 83 A1 01 00 00 00 0A AF 85 A1 01 00 00
{257} normal block at 0x000001A183F927D0, 16 bytes long.
Data: <Ð7ùƒ¡ > D0 37 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001A183F930E0, 16 bytes long.
Data: <¨7ùƒ¡ > A8 37 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001A183F8D000, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001A183F929B0, 16 bytes long.
Data: < 7ùƒ¡ > 80 37 F9 83 A1 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001A183F93780, 992 bytes long.
Data: <°)ùƒ¡ Ðøƒ¡ > B0 29 F9 83 A1 01 00 00 00 D0 F8 83 A1 01 00 00
{89} normal block at 0x000001A183F8DC00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001A183F86EA0, 16 bytes long.
Data: <À·øƒ¡ > C0 B7 F8 83 A1 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001A183F8B7C0, 40 bytes long.
Data: < nøƒ¡ Üøƒ¡ > A0 6E F8 83 A1 01 00 00 00 DC F8 83 A1 01 00 00
{66} normal block at 0x000001A183F86860, 16 bytes long.
Data: < êZ¶ö > 80 EA 5A B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A183F86AE0, 16 bytes long.
Data: <@éZ¶ö > 40 E9 5A B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A183F870D0, 16 bytes long.
Data: <øWW¶ö > F8 57 57 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A183F87580, 16 bytes long.
Data: <ØWW¶ö > D8 57 57 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A183F87490, 16 bytes long.
Data: <P W¶ö > 50 04 57 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A183F86FE0, 16 bytes long.
Data: <0 W¶ö > 30 04 57 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001A183F86A90, 16 bytes long.
Data: <à W¶ö > E0 02 57 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001A183F86900, 16 bytes long.
Data: < W¶ö > 10 04 57 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001A183F875D0, 16 bytes long.
Data: <p W¶ö > 70 04 57 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001A183F86E50, 16 bytes long.
Data: < ÀU¶ö > 18 C0 55 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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