Task 38607151
| Name | CDK2_A13_A04_r0_5-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND9334_0 |
| Workunit | 31560808 |
| Created | 14 Apr 2026, 8:40:18 UTC |
| Sent | 14 Apr 2026, 8:41:39 UTC |
| Report deadline | 19 Apr 2026, 8:41:39 UTC |
| Received | 14 Apr 2026, 9:10:15 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 16 sec |
| CPU time | 12 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 | 629.90 MB |
| Peak swap size | 12.49 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>
10:42:41 (59428): wrapper (7.9.26016): starting
10:42:41 (59428): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A04_0.pdb
QB_A13_A04_0.xml
QB_A13_A04.inpcrd
QB_A13_A04_input.yaml
QB_A13_A04.pdb
QB_A13_A04.prmtop
QB_A13_A04_sys.xml
run.bat
run.sh
10:42:42 (59428): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:42:42 (59428): 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\35\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\35\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\35\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "c:\Boinc\004\slots\35\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "c:\Boinc\004\slots\35\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\35\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "c:\Boinc\004\slots\35\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "c:\Boinc\004\slots\35\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\35\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\35\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 35
10:43:12 (59428): C:/Windows/system32/cmd.exe exited; CPU time 12.796875
10:43:12 (59428): app exit status: 0x16
10:43:12 (59428): 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: 1337242 bytes.
Dumping objects ->
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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 0x0000021EA7D32D70, 32 bytes long.
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{3837261} normal block at 0x0000021EA7D325F0, 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 0x0000021EA7D328F0, 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 0x0000021EA7D32830, 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 0x0000021EA5FE4600, 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 0x0000021EA603EEE0, 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 0x0000021EA5FDCF90, 8 bytes long.
Data: < =¦ > 00 00 3D A6 1E 02 00 00
{3835676} normal block at 0x0000021EA603E790, 140 bytes long.
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Data: < ×ü¥ > A0 D7 FC A5 1E 02 00 00
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{293} normal block at 0x0000021EA5FE5980, 16 bytes long.
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{292} normal block at 0x0000021EA5FE42F0, 48 bytes long.
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{291} normal block at 0x0000021EA5FE5A70, 16 bytes long.
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{290} normal block at 0x0000021EA5FE0600, 32 bytes long.
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{289} normal block at 0x0000021EA5FE54D0, 16 bytes long.
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{287} normal block at 0x0000021EA5FE5480, 16 bytes long.
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{286} normal block at 0x0000021EA5FE5930, 16 bytes long.
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{285} normal block at 0x0000021EA5FE5610, 16 bytes long.
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{284} normal block at 0x0000021EA5FE5C50, 16 bytes long.
Data: < ÿü¥ > A0 FF FC A5 1E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021EA5FE56B0, 16 bytes long.
Data: <xÿü¥ > 78 FF FC A5 1E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021EA5FE0960, 32 bytes long.
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{281} normal block at 0x0000021EA5FE5200, 16 bytes long.
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{280} normal block at 0x0000021EA5FCFF50, 320 bytes long.
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{278} normal block at 0x0000021EA5FE5570, 16 bytes long.
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{277} normal block at 0x0000021EA5FE09C0, 32 bytes long.
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{276} normal block at 0x0000021EA5FE5070, 16 bytes long.
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{274} normal block at 0x0000021EA5FE5520, 16 bytes long.
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{272} normal block at 0x0000021EA5FE5160, 16 bytes long.
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{271} normal block at 0x0000021EA5FE57A0, 16 bytes long.
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{270} normal block at 0x0000021EA5FE5660, 16 bytes long.
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{269} normal block at 0x0000021EA5FE4E90, 16 bytes long.
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{267} normal block at 0x0000021EA5FE5020, 16 bytes long.
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{266} normal block at 0x0000021EA5FE4280, 40 bytes long.
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{265} normal block at 0x0000021EA5FE5890, 16 bytes long.
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{264} normal block at 0x0000021EA5FE5750, 16 bytes long.
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{263} normal block at 0x0000021EA5FE0D20, 32 bytes long.
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{262} normal block at 0x0000021EA5FE5840, 16 bytes long.
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{261} normal block at 0x0000021EA5FE5E50, 992 bytes long.
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{97} normal block at 0x0000021EA5FE1140, 32 bytes long.
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{96} normal block at 0x0000021EA5FDD5D0, 16 bytes long.
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{74} normal block at 0x0000021EA5FDD8A0, 16 bytes long.
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{73} normal block at 0x0000021EA5FDCDB0, 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 0x0000021EA5FDD7B0, 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 0x0000021EA5FDCA90, 16 bytes long.
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{70} normal block at 0x0000021EA5FDD2B0, 16 bytes long.
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{69} normal block at 0x0000021EA5FDCE50, 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 0x0000021EA5FDCD60, 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 0x0000021EA5FDCE00, 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 0x0000021EA5FDD530, 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 0x0000021EA5FDD800, 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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