Task 38598103
| Name | MCL1_A25_A18_r0_5-QUICO_ATM_GAFF2_NAGL_MCL1-0-6-RND1503_3 |
| Workunit | 31553021 |
| Created | 8 Apr 2026, 9:00:12 UTC |
| Sent | 8 Apr 2026, 9:05:05 UTC |
| Report deadline | 13 Apr 2026, 9:05:05 UTC |
| Received | 9 Apr 2026, 15:28:21 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 505468 |
| Run time | 2 hours 7 min 46 sec |
| CPU time | 2 hours 7 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 | 461.07 MB |
| Peak swap size | 6.59 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>
15:19:58 (6744): wrapper (7.9.26016): starting
15:19:58 (6744): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A18_0.pdb
QB_A25_A18_0.xml
QB_A25_A18.inpcrd
QB_A25_A18_input.yaml
QB_A25_A18.pdb
QB_A25_A18.prmtop
QB_A25_A18_sys.xml
run.bat
run.sh
15:19:59 (6744): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:19:59 (6744): 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)
17:26:48 (6744): C:/Windows/system32/cmd.exe exited; CPU time 7661.484375
17:26:48 (6744): app exit status: 0x16
17:26:48 (6744): 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: 147066797 bytes.
Dumping objects ->
{3835260} normal block at 0x0000012AD5816D20, 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 0x0000012AD58167E0, 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 0x0000012AD58164D0, 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 0x0000012AD5816CB0, 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 0x0000012AD5816E00, 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 0x0000012AD743C750, 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 0x0000012AD584A1C0, 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 0x0000012AD57E7D70, 8 bytes long.
Data: < xÕ* > 00 00 78 D5 2A 01 00 00
{3834557} normal block at 0x0000012AD584AB80, 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 0x0000012AD57E7CD0, 8 bytes long.
Data: <°3A×* > B0 33 41 D7 2A 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000012AD57EE400, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000012AD57D6380, 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 0x0000012AD57F3670, 16 bytes long.
Data: < C Õ* > 08 43 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000012AD57F3620, 16 bytes long.
Data: <àB Õ* > E0 42 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000012AD57ED840, 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 0x0000012AD57F3580, 16 bytes long.
Data: <¸B Õ* > B8 42 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000012AD57F3A30, 16 bytes long.
Data: < B Õ* > 90 42 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000012AD57F3490, 16 bytes long.
Data: <hB Õ* > 68 42 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000012AD57F3440, 16 bytes long.
Data: <@B Õ* > 40 42 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000012AD57EE9A0, 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 0x0000012AD57F34E0, 16 bytes long.
Data: <hÃ}Õ* > 68 C3 7D D5 2A 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000012AD57ECBE0, 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 0x0000012AD57F3990, 16 bytes long.
Data: <@Ã}Õ* > 40 C3 7D D5 2A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000012AD57F36C0, 16 bytes long.
Data: < Ã}Õ* > 18 C3 7D D5 2A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000012AD57F3350, 16 bytes long.
Data: <ðÂ}Õ* > F0 C2 7D D5 2A 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000012AD57F3120, 16 bytes long.
Data: <ÈÂ}Õ* > C8 C2 7D D5 2A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000012AD57F2E00, 16 bytes long.
Data: < Â}Õ* > A0 C2 7D D5 2A 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000012AD57F35D0, 16 bytes long.
Data: <xÂ}Õ* > 78 C2 7D D5 2A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000012AD57ED7E0, 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 0x0000012AD57F2E50, 16 bytes long.
Data: <PÂ}Õ* > 50 C2 7D D5 2A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000012AD57DC250, 320 bytes long.
Data: <P. Õ* à×~Õ* > 50 2E 7F D5 2A 01 00 00 E0 D7 7E D5 2A 01 00 00
{274} normal block at 0x0000012AD57F3080, 16 bytes long.
Data: < B Õ* > 20 42 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000012AD57F3940, 16 bytes long.
Data: <øA Õ* > F8 41 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000012AD57ED0C0, 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 0x0000012AD57F2C20, 16 bytes long.
Data: <ÐA Õ* > D0 41 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000012AD57ED540, 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 0x0000012AD57F3210, 16 bytes long.
Data: < A Õ* > 18 41 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000012AD57F31C0, 16 bytes long.
Data: <ð@ Õ* > F0 40 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000012AD57F2D10, 16 bytes long.
Data: <È@ Õ* > C8 40 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000012AD57F3850, 16 bytes long.
Data: < @ Õ* > A0 40 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000012AD57F38F0, 16 bytes long.
Data: <x@ Õ* > 78 40 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000012AD57F33F0, 16 bytes long.
Data: <P@ Õ* > 50 40 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000012AD57F3530, 16 bytes long.
Data: <Àï~Õ* > C0 EF 7E D5 2A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000012AD57EEFC0, 40 bytes long.
Data: <05 Õ* PÇC×* > 30 35 7F D5 2A 01 00 00 50 C7 43 D7 2A 01 00 00
{260} normal block at 0x0000012AD57F3260, 16 bytes long.
Data: <0@ Õ* > 30 40 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000012AD57F38A0, 16 bytes long.
Data: < @ Õ* > 08 40 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000012AD57ED180, 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 0x0000012AD57F2F90, 16 bytes long.
Data: <à? Õ* > E0 3F 7F D5 2A 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000012AD57F3FE0, 992 bytes long.
Data: < / Õ* Ñ~Õ* > 90 2F 7F D5 2A 01 00 00 80 D1 7E D5 2A 01 00 00
{92} normal block at 0x0000012AD57ECB80, 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 0x0000012AD57E8BD0, 16 bytes long.
Data: < í~Õ* > 90 ED 7E D5 2A 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000012AD57EED90, 40 bytes long.
Data: <Ћ~Õ* Ë~Õ* > D0 8B 7E D5 2A 01 00 00 80 CB 7E D5 2A 01 00 00
{69} normal block at 0x0000012AD57E7FF0, 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 0x0000012AD57E8220, 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 0x0000012AD57E8090, 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 0x0000012AD57E88B0, 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 0x0000012AD57E8450, 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 0x0000012AD57E7D20, 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 0x0000012AD57E8860, 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 0x0000012AD57E7C80, 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 0x0000012AD57E7F50, 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 0x0000012AD57E8400, 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>
]]>
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