Task 38606881
| Name | hif2a_A36_A24_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a-0-6-RND4736_0 |
| Workunit | 31560630 |
| Created | 14 Apr 2026, 8:18:30 UTC |
| Sent | 14 Apr 2026, 8:21:34 UTC |
| Report deadline | 19 Apr 2026, 8:21:34 UTC |
| Received | 14 Apr 2026, 8:23:14 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 651976 |
| Run time | 1 min 8 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 50,494.97 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 57.22 MB |
| Peak swap size | 41.47 MB |
| Peak disk usage | 1.43 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
10:22:26 (49636): wrapper (7.9.26016): starting
10:22:26 (49636): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A36_A24_0.pdb
QB_A36_A24_0.xml
QB_A36_A24.inpcrd
QB_A36_A24_input.yaml
QB_A36_A24.pdb
QB_A36_A24.prmtop
QB_A36_A24_sys.xml
run.bat
run.sh
10:22:27 (49636): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:22:27 (49636): 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:\Boinc\004\slots\16\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:\Boinc\004\slots\16\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:\Boinc\004\slots\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "c:\Boinc\004\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "c:\Boinc\004\slots\16\Lib\site-packages\atom_openmm\openmm_async_re.py", line 443, in __init__
self.openmm_workers.append(ommworkercls(self.basename, ommsys, self.keywords, node_info = node, compute = True, logger = self.logger))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "c:\Boinc\004\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "c:\Boinc\004\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "c:\Boinc\004\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 251, in _openmm_worker_makecontext
self.simulation = Simulation(self.topology, self.system, self.integrator, self.platform, self.platform_properties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "c:\Boinc\004\slots\16\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "c:\Boinc\004\slots\16\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 31
10:22:45 (49636): C:/Windows/system32/cmd.exe exited; CPU time 2.453125
10:22:45 (49636): app exit status: 0x16
10:22:45 (49636): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 1034830 bytes.
Dumping objects ->
{3837283} normal block at 0x0000029EAEF64BF0, 48 bytes long.
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{3837272} normal block at 0x0000029EB0CB6F60, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837261} normal block at 0x0000029EB0CB6DE0, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3837250} normal block at 0x0000029EB0CB6CC0, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837239} normal block at 0x0000029EB0CB7080, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3837208} normal block at 0x0000029EAEF64B10, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837197} normal block at 0x0000029EAEFCA150, 140 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) : {3837194} normal block at 0x0000029EAEF5D560, 8 bytes long.
Data: < N¯ž > 00 00 4E AF 9E 02 00 00
{3835676} normal block at 0x0000029EAEFC9E10, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x0000029EAEF5D470, 8 bytes long.
Data: < ×ô®ž > A0 D7 F4 AE 9E 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000029EAEF51310, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000029EAEF51AD0, 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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{297} normal block at 0x0000029EAEF614E0, 32 bytes long.
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{295} normal block at 0x0000029EAEF656E0, 16 bytes long.
Data: < fö®ž > 80 66 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029EAEF66270, 16 bytes long.
Data: <Xfö®ž > 58 66 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000029EAEF65A50, 16 bytes long.
Data: <0fö®ž > 30 66 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029EAEF64C60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000029EAEF658C0, 16 bytes long.
Data: <Ø õ®ž > D8 07 F5 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029EAEF60EE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000029EAEF65F00, 16 bytes long.
Data: <° õ®ž > B0 07 F5 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029EAEF66090, 16 bytes long.
Data: < õ®ž > 88 07 F5 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029EAEF66040, 16 bytes long.
Data: <` õ®ž > 60 07 F5 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029EAEF657D0, 16 bytes long.
Data: <8 õ®ž > 38 07 F5 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029EAEF659B0, 16 bytes long.
Data: < õ®ž > 10 07 F5 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029EAEF660E0, 16 bytes long.
Data: <è õ®ž > E8 06 F5 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029EAEF60940, 32 bytes long.
Data: <CUDA_DEVICE=31 U> 43 55 44 41 5F 44 45 56 49 43 45 3D 33 31 00 55
{281} normal block at 0x0000029EAEF65A00, 16 bytes long.
Data: <À õ®ž > C0 06 F5 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029EAEF506C0, 320 bytes long.
Data: < Zö®ž @ ö®ž > 00 5A F6 AE 9E 02 00 00 40 09 F6 AE 9E 02 00 00
{279} normal block at 0x0000029EAEF65C30, 16 bytes long.
Data: < fö®ž > 10 66 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000029EAEF65AF0, 16 bytes long.
Data: <èeö®ž > E8 65 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029EAEF60E20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000029EAEF65DC0, 16 bytes long.
Data: <Àeö®ž > C0 65 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029EAEF616C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000029EAEF65960, 16 bytes long.
Data: < eö®ž > 08 65 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029EAEF65550, 16 bytes long.
Data: <àdö®ž > E0 64 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029EAEF65690, 16 bytes long.
Data: <¸dö®ž > B8 64 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029EAEF66220, 16 bytes long.
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{270} normal block at 0x0000029EAEF65500, 16 bytes long.
Data: <hdö®ž > 68 64 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029EAEF65910, 16 bytes long.
Data: <@dö®ž > 40 64 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029EAEF65CD0, 16 bytes long.
Data: <@Mö®ž > 40 4D F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029EAEF64D40, 40 bytes long.
Data: <Ð\ö®ž Kö®ž > D0 5C F6 AE 9E 02 00 00 10 4B F6 AE 9E 02 00 00
{265} normal block at 0x0000029EAEF66310, 16 bytes long.
Data: < dö®ž > 20 64 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029EAEF66360, 16 bytes long.
Data: <øcö®ž > F8 63 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029EAEF61000, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000029EAEF65C80, 16 bytes long.
Data: <Ðcö®ž > D0 63 F6 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029EAEF663D0, 992 bytes long.
Data: < \ö®ž ö®ž > 80 5C F6 AE 9E 02 00 00 00 10 F6 AE 9E 02 00 00
{97} normal block at 0x0000029EAEF61540, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000029EAEF5DBF0, 16 bytes long.
Data: < åô®ž > 90 E5 F4 AE 9E 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000029EAEF4E590, 40 bytes long.
Data: <ðÛõ®ž @ ö®ž > F0 DB F5 AE 9E 02 00 00 40 15 F6 AE 9E 02 00 00
{74} normal block at 0x0000029EAEF5D2E0, 16 bytes long.
Data: < ê ”ö > 80 EA 0B 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000029EAEF5D240, 16 bytes long.
Data: <@é ”ö > 40 E9 0B 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000029EAEF5D920, 16 bytes long.
Data: <øW ”ö > F8 57 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000029EAEF5DA60, 16 bytes long.
Data: <ØW ”ö > D8 57 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029EAEF5D8D0, 16 bytes long.
Data: <P ”ö > 50 04 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029EAEF5CFC0, 16 bytes long.
Data: <0 ”ö > 30 04 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029EAEF5D9C0, 16 bytes long.
Data: <à ”ö > E0 02 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029EAEF5D880, 16 bytes long.
Data: < ”ö > 10 04 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029EAEF5DB00, 16 bytes long.
Data: <p ”ö > 70 04 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029EAEF5DC40, 16 bytes long.
Data: < À ”ö > 18 C0 06 94 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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