Task 38597862
| Name | BACE_A32_A14_r0_5-QUICO_ATM_GAFF2_NAGL_BACE-0-6-RND5814_1 |
| Workunit | 31552904 |
| Created | 8 Apr 2026, 8:16:45 UTC |
| Sent | 8 Apr 2026, 9:04:49 UTC |
| Report deadline | 13 Apr 2026, 9:04:49 UTC |
| Received | 9 Apr 2026, 13:14:34 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 505468 |
| Run time | 1 min 5 sec |
| CPU time | 56 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 | 560.07 MB |
| Peak swap size | 6.78 GB |
| Peak disk usage | 2.96 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>
13:33:50 (31092): wrapper (7.9.26016): starting
13:33:50 (31092): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A14_0.pdb
QB_A32_A14_0.xml
QB_A32_A14.inpcrd
QB_A32_A14_input.yaml
QB_A32_A14.pdb
QB_A32_A14.prmtop
QB_A32_A14_sys.xml
run.bat
run.sh
13:33:51 (31092): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:33:51 (31092): 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.
15:12:05 (26232): wrapper (7.9.26016): starting
15:12:05 (26232): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\0\tmp" existiert bereits.
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_ILLEGAL_ADDRESS (700)
15:13:08 (26232): C:/Windows/system32/cmd.exe exited; CPU time 56.468750
15:13:08 (26232): app exit status: 0x16
15:13:08 (26232): 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: 1084674 bytes.
Dumping objects ->
{1607} normal block at 0x000002602728E9E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1596} normal block at 0x000002602728ED60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1585} normal block at 0x000002602728EAC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1574} normal block at 0x000002602728E970, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1563} normal block at 0x000002602728F070, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1532} normal block at 0x000002602727BF30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1521} normal block at 0x0000026027295450, 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) : {1518} normal block at 0x0000026027293460, 8 bytes long.
Data: < (` > 00 00 C1 28 60 02 00 00
{904} normal block at 0x000002602728E290, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x00000260272935A0, 8 bytes long.
Data: < C)'` > D0 43 29 27 60 02 00 00
{295} normal block at 0x0000026027276380, 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 0x0000026027293410, 16 bytes long.
Data: < B)'` > D8 42 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026027293B40, 16 bytes long.
Data: < B)'` > B0 42 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002602728CA90, 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 0x0000026027293500, 16 bytes long.
Data: < B)'` > 88 42 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026027293370, 16 bytes long.
Data: <`B)'` > 60 42 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026027293A00, 16 bytes long.
Data: <8B)'` > 38 42 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000260272934B0, 16 bytes long.
Data: < B)'` > 10 42 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002602728EF90, 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 0x0000026027293320, 16 bytes long.
Data: <8 ''` > 38 C3 27 27 60 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002602728D690, 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 0x0000026027293870, 16 bytes long.
Data: < ''` > 10 C3 27 27 60 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026027293AA0, 16 bytes long.
Data: < ''` > E8 C2 27 27 60 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026027292BF0, 16 bytes long.
Data: < ''` > C0 C2 27 27 60 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026027293820, 16 bytes long.
Data: < ''` > 98 C2 27 27 60 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000260272930F0, 16 bytes long.
Data: <p ''` > 70 C2 27 27 60 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026027292E20, 16 bytes long.
Data: <H ''` > 48 C2 27 27 60 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002602728D5D0, 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 0x0000026027293A50, 16 bytes long.
Data: < ''` > 20 C2 27 27 60 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002602727C220, 320 bytes long.
Data: <P:)'` ('` > 50 3A 29 27 60 02 00 00 D0 D5 28 27 60 02 00 00
{274} normal block at 0x0000026027292D80, 16 bytes long.
Data: < A)'` > F0 41 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026027293730, 16 bytes long.
Data: < A)'` > C8 41 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002602728CC10, 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 0x00000260272932D0, 16 bytes long.
Data: < A)'` > A0 41 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002602728CBB0, 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 0x0000026027293280, 16 bytes long.
Data: < @)'` > E8 40 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000260272936E0, 16 bytes long.
Data: < @)'` > C0 40 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026027293690, 16 bytes long.
Data: < @)'` > 98 40 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000260272931E0, 16 bytes long.
Data: <p@)'` > 70 40 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000260272930A0, 16 bytes long.
Data: <H@)'` > 48 40 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026027292DD0, 16 bytes long.
Data: < @)'` > 20 40 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026027293640, 16 bytes long.
Data: < ('` > 00 F0 28 27 60 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002602728F000, 40 bytes long.
Data: <@6)'` 0 ''` > 40 36 29 27 60 02 00 00 30 BF 27 27 60 02 00 00
{260} normal block at 0x0000026027292EC0, 16 bytes long.
Data: < @)'` > 00 40 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000260272935F0, 16 bytes long.
Data: < ?)'` > D8 3F 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002602728D7B0, 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 0x00000260272937D0, 16 bytes long.
Data: < ?)'` > B0 3F 29 27 60 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026027293FB0, 992 bytes long.
Data: < 7)'` ('` > D0 37 29 27 60 02 00 00 B0 D7 28 27 60 02 00 00
{92} normal block at 0x000002602728C970, 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 0x0000026027287ED0, 16 bytes long.
Data: < ('` > 10 EC 28 27 60 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002602728EC10, 40 bytes long.
Data: < ~('` p ('` > D0 7E 28 27 60 02 00 00 70 C9 28 27 60 02 00 00
{69} normal block at 0x0000026027288740, 16 bytes long.
Data: < 6 > 80 EA 36 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026027288240, 16 bytes long.
Data: <@ 6 > 40 E9 36 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000260272884C0, 16 bytes long.
Data: < W3 > F8 57 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026027288AB0, 16 bytes long.
Data: < W3 > D8 57 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026027287C50, 16 bytes long.
Data: <P 3 > 50 04 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026027288B00, 16 bytes long.
Data: <0 3 > 30 04 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026027288BA0, 16 bytes long.
Data: < 3 > E0 02 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026027287E30, 16 bytes long.
Data: < 3 > 10 04 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026027287D40, 16 bytes long.
Data: <p 3 > 70 04 33 AF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026027288470, 16 bytes long.
Data: < 1 > 18 C0 31 AF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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