Task 38607296
| Name | CDK2_A07_A10_r0_5-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND2795_1 |
| Workunit | 31560758 |
| Created | 14 Apr 2026, 9:08:04 UTC |
| Sent | 14 Apr 2026, 9:08:18 UTC |
| Report deadline | 19 Apr 2026, 9:08:18 UTC |
| Received | 14 Apr 2026, 9:13:16 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 605003 |
| Run time | 18 sec |
| CPU time | |
| 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 | 8.90 MB |
| Peak swap size | 4.39 MB |
| Peak disk usage | 1.42 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>
11:09:30 (58588): wrapper (7.9.26016): starting
11:09:30 (58588): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A10_0.pdb
QB_A07_A10_0.xml
QB_A07_A10.inpcrd
QB_A07_A10_input.yaml
QB_A07_A10.pdb
QB_A07_A10.prmtop
QB_A07_A10_sys.xml
run.bat
run.sh
11:09:32 (58588): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:09:32 (58588): 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\8\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\8\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\8\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "c:\Boinc\005\slots\8\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "c:\Boinc\005\slots\8\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\8\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "c:\Boinc\005\slots\8\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "c:\Boinc\005\slots\8\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\8\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\8\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 6
11:10:30 (58588): C:/Windows/system32/cmd.exe exited; CPU time 20.156250
11:10:30 (58588): app exit status: 0x16
11:10:30 (58588): 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: 1959701 bytes.
Dumping objects ->
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{3837274} normal block at 0x0000024D6ECB5180, 32 bytes long.
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{3837263} normal block at 0x0000024D6ECB6320, 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 0x0000024D6ECB5000, 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 0x0000024D6ECB5C00, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3837210} normal block at 0x0000024D6CFB4D30, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837199} normal block at 0x0000024D6D019FA0, 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) : {3837196} normal block at 0x0000024D6CFACF10, 8 bytes long.
Data: < ölM > 00 00 F6 6C 4D 02 00 00
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{3833967} normal block at 0x0000024D6CFADE60, 8 bytes long.
Data: <`ZÏnM > 60 5A CF 6E 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000024D6CFA0A50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
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{291} normal block at 0x0000024D6CFB5EA0, 16 bytes long.
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{290} normal block at 0x0000024D6CFB1050, 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 0x0000024D6CFB5F90, 16 bytes long.
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{287} normal block at 0x0000024D6CFB55E0, 16 bytes long.
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{286} normal block at 0x0000024D6CFB5E00, 16 bytes long.
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{285} normal block at 0x0000024D6CFB5450, 16 bytes long.
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{284} normal block at 0x0000024D6CFB5720, 16 bytes long.
Data: <0òùlM > 30 F2 F9 6C 4D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024D6CFB61C0, 16 bytes long.
Data: < òùlM > 08 F2 F9 6C 4D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024D6CFB1590, 32 bytes long.
Data: <CUDA_DEVICE=6 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 36 00 50 55
{281} normal block at 0x0000024D6CFB6080, 16 bytes long.
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{280} normal block at 0x0000024D6CF9F1E0, 320 bytes long.
Data: < `ûlM ûlM > 80 60 FB 6C 4D 02 00 00 90 15 FB 6C 4D 02 00 00
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{278} normal block at 0x0000024D6CFB5B30, 16 bytes long.
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{277} normal block at 0x0000024D6CFB0FF0, 32 bytes long.
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{274} normal block at 0x0000024D6CFB5A40, 16 bytes long.
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{273} normal block at 0x0000024D6CFB5950, 16 bytes long.
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{267} normal block at 0x0000024D6CFB5F40, 16 bytes long.
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{266} normal block at 0x0000024D6CFB4940, 40 bytes long.
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{265} normal block at 0x0000024D6CFB6120, 16 bytes long.
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{263} normal block at 0x0000024D6CFB0C30, 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 0x0000024D6CFB6300, 16 bytes long.
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{261} normal block at 0x0000024D6CFB63C0, 992 bytes long.
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{97} normal block at 0x0000024D6CFB17D0, 32 bytes long.
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{96} normal block at 0x0000024D6CFAD4B0, 16 bytes long.
Data: <ÀãùlM > C0 E3 F9 6C 4D 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000024D6CF9E3C0, 40 bytes long.
Data: <°ÔúlM Ð ûlM > B0 D4 FA 6C 4D 02 00 00 D0 17 FB 6C 4D 02 00 00
{74} normal block at 0x0000024D6CFADB40, 16 bytes long.
Data: < ê¦:ö > 80 EA A6 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000024D6CFAD9B0, 16 bytes long.
Data: <@é¦:ö > 40 E9 A6 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000024D6CFAD500, 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 0x0000024D6CFADE10, 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 0x0000024D6CFADAF0, 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 0x0000024D6CFAD320, 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 0x0000024D6CFADD70, 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 0x0000024D6CFAD6E0, 16 bytes long.
Data: < £:ö > 10 04 A3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024D6CFADAA0, 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 0x0000024D6CFAD460, 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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