Task 38607323
| Name | JNK1_A13_A20_r0_4-QUICO_ATM_GAFF2_NAGL_JNK1-3-6-RND6962_2 |
| Workunit | 31560845 |
| Created | 14 Apr 2026, 9:13:19 UTC |
| Sent | 14 Apr 2026, 9:14:44 UTC |
| Report deadline | 19 Apr 2026, 9:14:44 UTC |
| Received | 14 Apr 2026, 9:22:08 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 651976 |
| Run time | 3 min 7 sec |
| CPU time | 39 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 | 490.11 MB |
| Peak swap size | 12.34 GB |
| Peak disk usage | 4.16 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>
11:20:15 (10544): wrapper (7.9.26016): starting
11:20:15 (10544): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A20_0.pdb
QB_A13_A20_0.xml
QB_A13_A20.inpcrd
QB_A13_A20_input.yaml
QB_A13_A20.pdb
QB_A13_A20.prmtop
QB_A13_A20_sys.xml
run.bat
run.sh
11:20:16 (10544): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:20:16 (10544): 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: 34
11:21:20 (10544): C:/Windows/system32/cmd.exe exited; CPU time 39.265625
11:21:20 (10544): app exit status: 0x16
11:21:20 (10544): 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: 2633456 bytes.
Dumping objects ->
{3848969} normal block at 0x000001FAD1754C90, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3848958} normal block at 0x000001FAD347F4D0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3848947} normal block at 0x000001FAD347F1D0, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3848936} normal block at 0x000001FAD3480610, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3848925} normal block at 0x000001FAD347F890, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3848894} normal block at 0x000001FAD1754C20, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3848883} normal block at 0x000001FAD17B9B60, 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) : {3848880} normal block at 0x000001FAD174D890, 8 bytes long.
Data: < ÐÑú > 00 00 D0 D1 FA 01 00 00
{3847362} normal block at 0x000001FAD17B9DD0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3845653} normal block at 0x000001FAD174D0C0, 8 bytes long.
Data: < ×sÑú > A0 D7 73 D1 FA 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FAD1740A20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001FAD1741F20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001FAD17558D0, 16 bytes long.
Data: <¸fuÑú > B8 66 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FAD1755420, 16 bytes long.
Data: < fuÑú > 90 66 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FAD1750F00, 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 0x000001FAD17561E0, 16 bytes long.
Data: <hfuÑú > 68 66 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FAD1755C40, 16 bytes long.
Data: <@fuÑú > 40 66 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FAD1755D80, 16 bytes long.
Data: < fuÑú > 18 66 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FAD17560A0, 16 bytes long.
Data: <ðeuÑú > F0 65 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FAD1754AD0, 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 0x000001FAD1756000, 16 bytes long.
Data: < îsÑú > 88 EE 73 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FAD1750960, 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 0x000001FAD1755560, 16 bytes long.
Data: <`îsÑú > 60 EE 73 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FAD17553D0, 16 bytes long.
Data: <8îsÑú > 38 EE 73 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FAD17557E0, 16 bytes long.
Data: < îsÑú > 10 EE 73 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FAD1756190, 16 bytes long.
Data: <èísÑú > E8 ED 73 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FAD1756320, 16 bytes long.
Data: <ÀísÑú > C0 ED 73 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FAD1755BF0, 16 bytes long.
Data: < ísÑú > 98 ED 73 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FAD1750F60, 32 bytes long.
Data: <CUDA_DEVICE=34 U> 43 55 44 41 5F 44 45 56 49 43 45 3D 33 34 00 55
{281} normal block at 0x000001FAD1755790, 16 bytes long.
Data: <písÑú > 70 ED 73 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FAD173ED70, 320 bytes long.
Data: < WuÑú ` uÑú > 90 57 75 D1 FA 01 00 00 60 0F 75 D1 FA 01 00 00
{279} normal block at 0x000001FAD1755CE0, 16 bytes long.
Data: <ÐeuÑú > D0 65 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FAD1755EC0, 16 bytes long.
Data: <¨euÑú > A8 65 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FAD1751260, 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 0x000001FAD1755BA0, 16 bytes long.
Data: < euÑú > 80 65 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FAD1750DE0, 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 0x000001FAD1755650, 16 bytes long.
Data: <ÈduÑú > C8 64 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FAD1756140, 16 bytes long.
Data: < duÑú > A0 64 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FAD1755C90, 16 bytes long.
Data: <xduÑú > 78 64 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FAD1755740, 16 bytes long.
Data: <PduÑú > 50 64 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FAD1755880, 16 bytes long.
Data: <(duÑú > 28 64 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FAD1756230, 16 bytes long.
Data: < duÑú > 00 64 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FAD17560F0, 16 bytes long.
Data: <PNuÑú > 50 4E 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FAD1754E50, 40 bytes long.
Data: <ð`uÑú LuÑú > F0 60 75 D1 FA 01 00 00 20 4C 75 D1 FA 01 00 00
{265} normal block at 0x000001FAD1755600, 16 bytes long.
Data: <àcuÑú > E0 63 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FAD1755B50, 16 bytes long.
Data: <¸cuÑú > B8 63 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FAD1750D80, 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 0x000001FAD17556F0, 16 bytes long.
Data: < cuÑú > 90 63 75 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FAD1756390, 992 bytes long.
Data: <ðVuÑú uÑú > F0 56 75 D1 FA 01 00 00 80 0D 75 D1 FA 01 00 00
{97} normal block at 0x000001FAD1750D20, 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 0x000001FAD174D200, 16 bytes long.
Data: <@ÁsÑú > 40 C1 73 D1 FA 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001FAD173C140, 40 bytes long.
Data: < ÒtÑú uÑú > 00 D2 74 D1 FA 01 00 00 20 0D 75 D1 FA 01 00 00
{74} normal block at 0x000001FAD174D840, 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 0x000001FAD174DCA0, 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 0x000001FAD174DC50, 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 0x000001FAD174D020, 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 0x000001FAD174DA20, 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 0x000001FAD174D570, 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 0x000001FAD174CFD0, 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 0x000001FAD174DE30, 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 0x000001FAD174DC00, 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 0x000001FAD174D1B0, 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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