Task 38607307
| Name | CDK2_A08_A13_r0_2-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND7938_1 |
| Workunit | 31560770 |
| Created | 14 Apr 2026, 9:10:19 UTC |
| Sent | 14 Apr 2026, 9:10:56 UTC |
| Report deadline | 19 Apr 2026, 9:10:56 UTC |
| Received | 14 Apr 2026, 9:15:26 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 605003 |
| Run time | 48 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 50,489.32 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 333.40 MB |
| Peak swap size | 12.17 GB |
| Peak disk usage | 1.52 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann <sporadic_ac> nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
11:13:01 (60488): wrapper (7.9.26016): starting
11:13:01 (60488): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A13_0.pdb
QB_A08_A13_0.xml
QB_A08_A13.inpcrd
QB_A08_A13_input.yaml
QB_A08_A13.pdb
QB_A08_A13.prmtop
QB_A08_A13_sys.xml
run.bat
run.sh
11:13:03 (60488): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:13:03 (60488): 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\005\slots\4\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\005\slots\4\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\005\slots\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "c:\Boinc\005\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "c:\Boinc\005\slots\4\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\005\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "c:\Boinc\005\slots\4\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "c:\Boinc\005\slots\4\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\005\slots\4\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "c:\Boinc\005\slots\4\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 3
11:13:44 (60488): C:/Windows/system32/cmd.exe exited; CPU time 19.937500
11:13:44 (60488): app exit status: 0x16
11:13:44 (60488): 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: 1942301 bytes.
Dumping objects ->
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{3837274} normal block at 0x0000026CFF355340, 32 bytes long.
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{3837263} normal block at 0x0000026CFF355280, 32 bytes long.
Data: <TMP=c:\boinc\005> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 35
{3837252} normal block at 0x0000026CFF3556A0, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837241} normal block at 0x0000026CFF356600, 32 bytes long.
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{3837210} normal block at 0x0000026CFD5B4B80, 48 bytes long.
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{3837199} normal block at 0x0000026CFD619EE0, 140 bytes long.
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..\api\boinc_api.cpp(309) : {3837196} normal block at 0x0000026CFD5AD100, 8 bytes long.
Data: < ±ýl > 00 00 B1 FD 6C 02 00 00
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..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000026CFD5A11D0, 260 bytes long.
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{291} normal block at 0x0000026CFD5B5DC0, 16 bytes long.
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{290} normal block at 0x0000026CFD5B1720, 32 bytes long.
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{289} normal block at 0x0000026CFD5B6270, 16 bytes long.
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{287} normal block at 0x0000026CFD5B58C0, 16 bytes long.
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{286} normal block at 0x0000026CFD5B5820, 16 bytes long.
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{285} normal block at 0x0000026CFD5B5410, 16 bytes long.
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{284} normal block at 0x0000026CFD5B60E0, 16 bytes long.
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{283} normal block at 0x0000026CFD5B57D0, 16 bytes long.
Data: <è Zýl > E8 06 5A FD 6C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026CFD5B1600, 32 bytes long.
Data: <CUDA_DEVICE=3 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 33 00 50 55
{281} normal block at 0x0000026CFD5B56E0, 16 bytes long.
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{274} normal block at 0x0000026CFD5B6220, 16 bytes long.
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{273} normal block at 0x0000026CFD5B6360, 16 bytes long.
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{270} normal block at 0x0000026CFD5B5500, 16 bytes long.
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{267} normal block at 0x0000026CFD5B5E10, 16 bytes long.
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{266} normal block at 0x0000026CFD5B4950, 40 bytes long.
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{265} normal block at 0x0000026CFD5B5EB0, 16 bytes long.
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{264} normal block at 0x0000026CFD5B5FF0, 16 bytes long.
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{263} normal block at 0x0000026CFD5B1240, 32 bytes long.
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{262} normal block at 0x0000026CFD5B54B0, 16 bytes long.
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{261} normal block at 0x0000026CFD5B63D0, 992 bytes long.
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{97} normal block at 0x0000026CFD5B1540, 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 0x0000026CFD5AD560, 16 bytes long.
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{95} normal block at 0x0000026CFD59E590, 40 bytes long.
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{74} normal block at 0x0000026CFD5AD970, 16 bytes long.
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{73} normal block at 0x0000026CFD5ADDD0, 16 bytes long.
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{72} normal block at 0x0000026CFD5ADCE0, 16 bytes long.
Data: <øW£:ö > F8 57 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026CFD5AD7E0, 16 bytes long.
Data: <ØW£:ö > D8 57 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026CFD5ADBA0, 16 bytes long.
Data: <P £:ö > 50 04 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026CFD5AD880, 16 bytes long.
Data: <0 £:ö > 30 04 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026CFD5ADC40, 16 bytes long.
Data: <à £:ö > E0 02 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026CFD5ADD30, 16 bytes long.
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{66} normal block at 0x0000026CFD5AD9C0, 16 bytes long.
Data: <p £:ö > 70 04 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026CFD5AD330, 16 bytes long.
Data: < À¡:ö > 18 C0 A1 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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