Task 38596720

Name JNK1_A10_A09_r0_2-QUICO_ATM_GAFF2_NAGL_JNK1-0-6-RND0495_0
Workunit 31552659
Created 8 Apr 2026, 7:33:07 UTC
Sent 8 Apr 2026, 7:35:13 UTC
Report deadline 13 Apr 2026, 7:35:13 UTC
Received 8 Apr 2026, 7:38:15 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 505468
Run time 9 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 44,611.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 11.04 MB
Peak swap size 6.42 MB
Peak disk usage 1.42 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann <sporadic_ac> nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:37:05 (34000): wrapper (7.9.26016): starting
09:37:05 (34000): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A09_0.pdb
QB_A10_A09_0.xml
QB_A10_A09.inpcrd
QB_A10_A09_input.yaml
QB_A10_A09.pdb
QB_A10_A09.prmtop
QB_A10_A09_sys.xml
run.bat
run.sh
09:37:07 (34000): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:37:07 (34000): 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\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:\ProgramData\BOINC\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:\ProgramData\BOINC\slots\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\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:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
    self.start_worker()
  File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
    self._openmm_worker_makecontext()
  File "C:\ProgramData\BOINC\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:\ProgramData\BOINC\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:\ProgramData\BOINC\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: 16
09:37:40 (34000): C:/Windows/system32/cmd.exe exited; CPU time 13.890625
09:37:40 (34000): app exit status: 0x16
09:37:40 (34000): 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: 899106 bytes.
Dumping objects ->
{3836872} normal block at 0x00000230153E6D20, 48 bytes long.
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{3836861} normal block at 0x00000230153E70A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836850} normal block at 0x00000230153E6C40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3836839} normal block at 0x00000230153E6B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836828} normal block at 0x00000230153E7030, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3836797} normal block at 0x0000023016E5C070, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836786} normal block at 0x0000023016F45160, 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) : {3836783} normal block at 0x00000230153B7F50, 8 bytes long.
 Data: <  5 0   > 00 00 35 15 30 02 00 00 
{3835487} normal block at 0x0000023016F453D0, 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 0x00000230153B8680, 8 bytes long.
 Data: <  &#244; 0   > 00 88 F4 16 30 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000230153C1B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000230153A6500, 80 bytes long.
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{294} normal block at 0x00000230153C3760, 16 bytes long.
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{293} normal block at 0x00000230153C31C0, 16 bytes long.
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{292} normal block at 0x00000230153BCD60, 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 0x00000230153C36C0, 16 bytes long.
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{290} normal block at 0x00000230153C2E00, 16 bytes long.
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{289} normal block at 0x00000230153C35D0, 16 bytes long.
 Data: <hB< 0           > 68 42 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000230153C3940, 16 bytes long.
 Data: <@B< 0           > 40 42 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000230153BED90, 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 0x00000230153C3800, 16 bytes long.
 Data: < d: 0           > 98 64 3A 15 30 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000230153BCFA0, 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 0x00000230153C2D60, 16 bytes long.
 Data: <pd: 0           > 70 64 3A 15 30 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000230153C3260, 16 bytes long.
 Data: <Hd: 0           > 48 64 3A 15 30 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000230153C3710, 16 bytes long.
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{280} normal block at 0x00000230153C3170, 16 bytes long.
 Data: <&#248;c: 0           > F8 63 3A 15 30 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000230153C3A80, 16 bytes long.
 Data: <&#208;c: 0           > D0 63 3A 15 30 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000230153C2FE0, 16 bytes long.
 Data: <&#168;c: 0           > A8 63 3A 15 30 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000230153BD420, 32 bytes long.
 Data: <CUDA_DEVICE=16 U> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 36 00 55 
{276} normal block at 0x00000230153C3530, 16 bytes long.
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{275} normal block at 0x00000230153A6380, 320 bytes long.
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{274} normal block at 0x00000230153C2C20, 16 bytes long.
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{273} normal block at 0x00000230153C34E0, 16 bytes long.
 Data: <&#248;A< 0           > F8 41 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000230153BCEE0, 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 0x00000230153C3120, 16 bytes long.
 Data: <&#208;A< 0           > D0 41 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000230153BD600, 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 0x00000230153C33A0, 16 bytes long.
 Data: < A< 0           > 18 41 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000230153C2F90, 16 bytes long.
 Data: <&#240;@< 0           > F0 40 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000230153C3350, 16 bytes long.
 Data: <&#200;@< 0           > C8 40 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000230153C32B0, 16 bytes long.
 Data: <&#160;@< 0           > A0 40 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000230153C3080, 16 bytes long.
 Data: <x@< 0           > 78 40 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000230153C2EF0, 16 bytes long.
 Data: <P@< 0           > 50 40 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000230153C39E0, 16 bytes long.
 Data: <&#176;&#236;; 0           > B0 EC 3B 15 30 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000230153BECB0, 40 bytes long.
 Data: <&#224;9< 0   p&#192;&#229; 0   > E0 39 3C 15 30 02 00 00 70 C0 E5 16 30 02 00 00 
{260} normal block at 0x00000230153C2E50, 16 bytes long.
 Data: <0@< 0           > 30 40 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000230153C2F40, 16 bytes long.
 Data: < @< 0           > 08 40 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000230153BCD00, 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 0x00000230153C3850, 16 bytes long.
 Data: <&#224;?< 0           > E0 3F 3C 15 30 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000230153C3FE0, 992 bytes long.
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{92} normal block at 0x00000230153BD3C0, 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 0x00000230153B7CD0, 16 bytes long.
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{90} normal block at 0x00000230153BEF50, 40 bytes long.
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{69} normal block at 0x00000230153B7FF0, 16 bytes long.
 Data: < &#234;DN&#247;           > 80 EA 44 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000230153B8630, 16 bytes long.
 Data: <@&#233;DN&#247;           > 40 E9 44 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000230153B7DC0, 16 bytes long.
 Data: <&#248;WAN&#247;           > F8 57 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000230153B7EB0, 16 bytes long.
 Data: <&#216;WAN&#247;           > D8 57 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000230153B89F0, 16 bytes long.
 Data: <P AN&#247;           > 50 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000230153B80E0, 16 bytes long.
 Data: <0 AN&#247;           > 30 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000230153B81D0, 16 bytes long.
 Data: <&#224; AN&#247;           > E0 02 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000230153B8AE0, 16 bytes long.
 Data: <  AN&#247;           > 10 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000230153B85E0, 16 bytes long.
 Data: <p AN&#247;           > 70 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000230153B8450, 16 bytes long.
 Data: < &#192;?N&#247;           > 18 C0 3F 4E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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