Task 38598045
| Name | p38_A32_A07_r0_1-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND8716_2 |
| Workunit | 31553436 |
| Created | 8 Apr 2026, 8:45:26 UTC |
| Sent | 8 Apr 2026, 9:05:05 UTC |
| Report deadline | 13 Apr 2026, 9:05:05 UTC |
| Received | 9 Apr 2026, 13:20:13 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 505468 |
| Run time | 5 min 41 sec |
| CPU time | 4 min 41 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,612.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 586.75 MB |
| Peak swap size | 6.83 GB |
| Peak disk usage | 2.79 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>
15:14:10 (26748): wrapper (7.9.26016): starting
15:14:10 (26748): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A07_0.pdb
QB_A32_A07_0.xml
QB_A32_A07.inpcrd
QB_A32_A07_input.yaml
QB_A32_A07.pdb
QB_A32_A07.prmtop
QB_A32_A07_sys.xml
run.bat
run.sh
15:14:11 (26748): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:14:11 (26748): 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.
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_ILLEGAL_ADDRESS (700)
15:18:57 (26748): C:/Windows/system32/cmd.exe exited; CPU time 281.171875
15:18:57 (26748): app exit status: 0x16
15:18:57 (26748): 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: 5074743 bytes.
Dumping objects ->
{3835260} normal block at 0x0000025BBB897980, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835249} normal block at 0x0000025BBB897590, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835238} normal block at 0x0000025BBB897B40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835227} normal block at 0x0000025BBB8980F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835216} normal block at 0x0000025BBB8972F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835185} normal block at 0x0000025BBD435F40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835174} normal block at 0x0000025BBB8CB7F0, 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) : {3835171} normal block at 0x0000025BBB869590, 8 bytes long.
Data: < ½[ > 00 00 17 BD 5B 02 00 00
{3834557} normal block at 0x0000025BBB8CBCD0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x0000025BBB869040, 8 bytes long.
Data: <pç4½[ > 70 E7 34 BD 5B 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000025BBB86F0E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025BBB85AA60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000025BBB874C50, 16 bytes long.
Data: <(Q‡»[ > 28 51 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025BBB874340, 16 bytes long.
Data: < Q‡»[ > 00 51 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025BBB86E060, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000025BBB874AC0, 16 bytes long.
Data: <ØP‡»[ > D8 50 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025BBB8749D0, 16 bytes long.
Data: <°P‡»[ > B0 50 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025BBB874110, 16 bytes long.
Data: < P‡»[ > 88 50 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025BBB874930, 16 bytes long.
Data: <`P‡»[ > 60 50 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025BBB86F7C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000025BBB8740C0, 16 bytes long.
Data: < Ñ…»[ > 98 D1 85 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025BBB86E240, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000025BBB874B60, 16 bytes long.
Data: <pÑ…»[ > 70 D1 85 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025BBB8748E0, 16 bytes long.
Data: <HÑ…»[ > 48 D1 85 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025BBB8747A0, 16 bytes long.
Data: < Ñ…»[ > 20 D1 85 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025BBB874A70, 16 bytes long.
Data: <øÐ…»[ > F8 D0 85 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025BBB874070, 16 bytes long.
Data: <ÐÐ…»[ > D0 D0 85 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025BBB874250, 16 bytes long.
Data: <¨Ð…»[ > A8 D0 85 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025BBB86DD00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000025BBB874020, 16 bytes long.
Data: < Ð…»[ > 80 D0 85 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025BBB85D080, 320 bytes long.
Data: < @‡»[ ݆»[ > 20 40 87 BB 5B 02 00 00 00 DD 86 BB 5B 02 00 00
{274} normal block at 0x0000025BBB874750, 16 bytes long.
Data: <@P‡»[ > 40 50 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025BBB874700, 16 bytes long.
Data: < P‡»[ > 18 50 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025BBB86E420, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000025BBB8745C0, 16 bytes long.
Data: <ðO‡»[ > F0 4F 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025BBB86E600, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000025BBB874390, 16 bytes long.
Data: <8O‡»[ > 38 4F 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025BBB874890, 16 bytes long.
Data: < O‡»[ > 10 4F 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025BBB8746B0, 16 bytes long.
Data: <èN‡»[ > E8 4E 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025BBB874570, 16 bytes long.
Data: <ÀN‡»[ > C0 4E 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025BBB874D40, 16 bytes long.
Data: < N‡»[ > 98 4E 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025BBB873FD0, 16 bytes long.
Data: <pN‡»[ > 70 4E 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025BBB873F80, 16 bytes long.
Data: < ø†»[ > A0 F8 86 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025BBB86F8A0, 40 bytes long.
Data: < ?‡»[ @_C½[ > 80 3F 87 BB 5B 02 00 00 40 5F 43 BD 5B 02 00 00
{260} normal block at 0x0000025BBB874CA0, 16 bytes long.
Data: <PN‡»[ > 50 4E 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025BBB874A20, 16 bytes long.
Data: <(N‡»[ > 28 4E 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025BBB86E120, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000025BBB874980, 16 bytes long.
Data: < N‡»[ > 00 4E 87 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000025BBB874E00, 992 bytes long.
Data: < I‡»[ ᆻ[ > 80 49 87 BB 5B 02 00 00 20 E1 86 BB 5B 02 00 00
{92} normal block at 0x0000025BBB86DBE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000025BBB8694A0, 16 bytes long.
Data: <Ðú†»[ > D0 FA 86 BB 5B 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000025BBB86FAD0, 40 bytes long.
Data: < ”†»[ àÛ†»[ > A0 94 86 BB 5B 02 00 00 E0 DB 86 BB 5B 02 00 00
{69} normal block at 0x0000025BBB869450, 16 bytes long.
Data: < ê6¯ö > 80 EA 36 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025BBB868D70, 16 bytes long.
Data: <@é6¯ö > 40 E9 36 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025BBB868EB0, 16 bytes long.
Data: <øW3¯ö > F8 57 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025BBB868E60, 16 bytes long.
Data: <ØW3¯ö > D8 57 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025BBB868AF0, 16 bytes long.
Data: <P 3¯ö > 50 04 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025BBB868AA0, 16 bytes long.
Data: <0 3¯ö > 30 04 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025BBB8691D0, 16 bytes long.
Data: <à 3¯ö > E0 02 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025BBB869950, 16 bytes long.
Data: < 3¯ö > 10 04 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025BBB8697C0, 16 bytes long.
Data: <p 3¯ö > 70 04 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000025BBB868D20, 16 bytes long.
Data: < À1¯ö > 18 C0 31 AF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra