Task 38605135
| Name | tnks2_A12_A06_r0_4-QUICO_ATM_GAFF2_NAGL_TNKS2-0-6-RND5194_0 |
| Workunit | 31559108 |
| Created | 13 Apr 2026, 12:00:38 UTC |
| Sent | 13 Apr 2026, 12:00:53 UTC |
| Report deadline | 18 Apr 2026, 12:00:53 UTC |
| Received | 13 Apr 2026, 12:06:17 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 651976 |
| Run time | 2 min 16 sec |
| CPU time | 7 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 | 380.52 MB |
| Peak swap size | 12.23 GB |
| Peak disk usage | 1.52 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>
14:02:08 (10764): wrapper (7.9.26016): starting
14:02:14 (10764): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A06_0.pdb
QB_A12_A06_0.xml
QB_A12_A06.inpcrd
QB_A12_A06_input.yaml
QB_A12_A06.pdb
QB_A12_A06.prmtop
QB_A12_A06_sys.xml
run.bat
run.sh
14:02:19 (10764): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:02:19 (10764): 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\6\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\6\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\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "c:\Boinc\004\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "c:\Boinc\004\slots\6\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\6\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "c:\Boinc\004\slots\6\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "c:\Boinc\004\slots\6\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\6\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\6\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 4
14:04:16 (10764): C:/Windows/system32/cmd.exe exited; CPU time 7.078125
14:04:16 (10764): app exit status: 0x16
14:04:16 (10764): 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: 3111543 bytes.
Dumping objects ->
{3837283} normal block at 0x000002AB8BBC4B10, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837272} normal block at 0x000002AB8D921560, 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 0x000002AB8D921FE0, 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 0x000002AB8D920EA0, 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 0x000002AB8D920E40, 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 0x000002AB8BBC4DB0, 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 0x000002AB8BC2A2F0, 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 0x000002AB8BBBDC90, 8 bytes long.
Data: < Œ« > 00 00 09 8C AB 02 00 00
{3835676} normal block at 0x000002AB8BC29A00, 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 0x000002AB8BBBD100, 8 bytes long.
Data: < ×º‹« > A0 D7 BA 8B AB 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002AB8BBB0910, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002AB8BBB1E30, 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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{298} normal block at 0x000002AB8BBC5460, 16 bytes long.
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{297} normal block at 0x000002AB8BBC0940, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000002AB8BBC5C80, 16 bytes long.
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{295} normal block at 0x000002AB8BBC5410, 16 bytes long.
Data: < f¼‹« > 80 66 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002AB8BBC6310, 16 bytes long.
Data: <Xf¼‹« > 58 66 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002AB8BBC62C0, 16 bytes long.
Data: <0f¼‹« > 30 66 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002AB8BBC49C0, 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 0x000002AB8BBC6270, 16 bytes long.
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{290} normal block at 0x000002AB8BBC1480, 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 0x000002AB8BBC6220, 16 bytes long.
Data: <° »‹« > B0 07 BB 8B AB 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002AB8BBC5C30, 16 bytes long.
Data: < »‹« > 88 07 BB 8B AB 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002AB8BBC55A0, 16 bytes long.
Data: <` »‹« > 60 07 BB 8B AB 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002AB8BBC5E60, 16 bytes long.
Data: <8 »‹« > 38 07 BB 8B AB 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002AB8BBC5BE0, 16 bytes long.
Data: < »‹« > 10 07 BB 8B AB 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002AB8BBC5D20, 16 bytes long.
Data: <è »‹« > E8 06 BB 8B AB 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002AB8BBC0D60, 32 bytes long.
Data: <CUDA_DEVICE=4 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 34 00 50 55
{281} normal block at 0x000002AB8BBC55F0, 16 bytes long.
Data: <À »‹« > C0 06 BB 8B AB 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002AB8BBB06C0, 320 bytes long.
Data: <ðU¼‹« ` ¼‹« > F0 55 BC 8B AB 02 00 00 60 0D BC 8B AB 02 00 00
{279} normal block at 0x000002AB8BBC61D0, 16 bytes long.
Data: < f¼‹« > 10 66 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002AB8BBC6040, 16 bytes long.
Data: <èe¼‹« > E8 65 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002AB8BBC17E0, 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 0x000002AB8BBC5EB0, 16 bytes long.
Data: <Àe¼‹« > C0 65 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002AB8BBC0DC0, 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 0x000002AB8BBC6180, 16 bytes long.
Data: < e¼‹« > 08 65 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002AB8BBC5E10, 16 bytes long.
Data: <àd¼‹« > E0 64 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002AB8BBC5AF0, 16 bytes long.
Data: <¸d¼‹« > B8 64 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002AB8BBC5A50, 16 bytes long.
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{270} normal block at 0x000002AB8BBC5FA0, 16 bytes long.
Data: <hd¼‹« > 68 64 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002AB8BBC6090, 16 bytes long.
Data: <@d¼‹« > 40 64 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002AB8BBC6360, 16 bytes long.
Data: <pH¼‹« > 70 48 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002AB8BBC4870, 40 bytes long.
Data: <`c¼‹« °M¼‹« > 60 63 BC 8B AB 02 00 00 B0 4D BC 8B AB 02 00 00
{265} normal block at 0x000002AB8BBC5D70, 16 bytes long.
Data: < d¼‹« > 20 64 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002AB8BBC5B40, 16 bytes long.
Data: <øc¼‹« > F8 63 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002AB8BBC1360, 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 0x000002AB8BBC5AA0, 16 bytes long.
Data: <Ðc¼‹« > D0 63 BC 8B AB 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002AB8BBC63D0, 992 bytes long.
Data: < Z¼‹« ` ¼‹« > A0 5A BC 8B AB 02 00 00 60 13 BC 8B AB 02 00 00
{97} normal block at 0x000002AB8BBC0C40, 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 0x000002AB8BBBD6F0, 16 bytes long.
Data: < 庋« > 90 E5 BA 8B AB 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002AB8BBAE590, 40 bytes long.
Data: <ðÖ»‹« @ ¼‹« > F0 D6 BB 8B AB 02 00 00 40 0C BC 8B AB 02 00 00
{74} normal block at 0x000002AB8BBBD060, 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 0x000002AB8BBBD420, 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 0x000002AB8BBBD740, 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 0x000002AB8BBBD510, 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 0x000002AB8BBBDB00, 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 0x000002AB8BBBDBF0, 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 0x000002AB8BBBCFC0, 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 0x000002AB8BBBDC40, 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 0x000002AB8BBBD7E0, 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 0x000002AB8BBBDCE0, 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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