Task 38607293
| Name | CDK2_A15_A01_r0_4-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND1435_1 |
| Workunit | 31560824 |
| Created | 14 Apr 2026, 9:07:14 UTC |
| Sent | 14 Apr 2026, 9:07:27 UTC |
| Report deadline | 19 Apr 2026, 9:07:27 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 | 37 sec |
| CPU time | 15 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 | 470.57 MB |
| Peak swap size | 12.31 GB |
| 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>
11:08:40 (15448): wrapper (7.9.26016): starting
11:08:40 (15448): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A01_0.pdb
QB_A15_A01_0.xml
QB_A15_A01.inpcrd
QB_A15_A01_input.yaml
QB_A15_A01.pdb
QB_A15_A01.prmtop
QB_A15_A01_sys.xml
run.bat
run.sh
11:08:42 (15448): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:08:42 (15448): 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
11:09:36 (15448): C:/Windows/system32/cmd.exe exited; CPU time 23.890625
11:09:36 (15448): app exit status: 0x16
11:09:36 (15448): 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: 2285159 bytes.
Dumping objects ->
{3837285} normal block at 0x00000280C16B4D40, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837274} normal block at 0x00000280C3451F80, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837263} normal block at 0x00000280C3450FC0, 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 0x00000280C34519E0, 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 0x00000280C3450E40, 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 0x00000280C16B4CD0, 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 0x00000280C171A150, 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 0x00000280C16AD380, 8 bytes long.
Data: < ´Á > 00 00 B4 C1 80 02 00 00
{3835676} normal block at 0x00000280C171A3C0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x00000280C16AD010, 8 bytes long.
Data: < ×iÁ > A0 D7 69 C1 80 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000280C16A1310, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000280C16A1C80, 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 0x00000280C16B54B0, 16 bytes long.
Data: <øfkÁ > F8 66 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000280C16B5460, 16 bytes long.
Data: <ÐfkÁ > D0 66 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000280C16B0EE0, 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 0x00000280C16B55F0, 16 bytes long.
Data: <¨fkÁ > A8 66 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000280C16B5D20, 16 bytes long.
Data: < fkÁ > 80 66 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000280C16B61D0, 16 bytes long.
Data: <XfkÁ > 58 66 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000280C16B5FA0, 16 bytes long.
Data: <0fkÁ > 30 66 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000280C16B49C0, 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 0x00000280C16B5E60, 16 bytes long.
Data: <Ø jÁ > D8 07 6A C1 80 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000280C16B0FA0, 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 0x00000280C16B5CD0, 16 bytes long.
Data: <° jÁ > B0 07 6A C1 80 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000280C16B5870, 16 bytes long.
Data: < jÁ > 88 07 6A C1 80 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000280C16B5E10, 16 bytes long.
Data: <` jÁ > 60 07 6A C1 80 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000280C16B55A0, 16 bytes long.
Data: <8 jÁ > 38 07 6A C1 80 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000280C16B5F50, 16 bytes long.
Data: < jÁ > 10 07 6A C1 80 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000280C16B5500, 16 bytes long.
Data: <è jÁ > E8 06 6A C1 80 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000280C16B0E80, 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 0x00000280C16B5A50, 16 bytes long.
Data: <À jÁ > C0 06 6A C1 80 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000280C16A06C0, 320 bytes long.
Data: <PZkÁ kÁ > 50 5A 6B C1 80 02 00 00 80 0E 6B C1 80 02 00 00
{279} normal block at 0x00000280C16B5B40, 16 bytes long.
Data: < fkÁ > 10 66 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000280C16B6270, 16 bytes long.
Data: <èekÁ > E8 65 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000280C16B09A0, 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 0x00000280C16B5DC0, 16 bytes long.
Data: <ÀekÁ > C0 65 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000280C16B1060, 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 0x00000280C16B5C30, 16 bytes long.
Data: < ekÁ > 08 65 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000280C16B5960, 16 bytes long.
Data: <àdkÁ > E0 64 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000280C16B5C80, 16 bytes long.
Data: <¸dkÁ > B8 64 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000280C16B5BE0, 16 bytes long.
Data: < dkÁ > 90 64 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000280C16B5D70, 16 bytes long.
Data: <hdkÁ > 68 64 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000280C16B5AF0, 16 bytes long.
Data: <@dkÁ > 40 64 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000280C16B6220, 16 bytes long.
Data: < KkÁ > 10 4B 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000280C16B4B10, 40 bytes long.
Data: < bkÁ ÐLkÁ > 20 62 6B C1 80 02 00 00 D0 4C 6B C1 80 02 00 00
{265} normal block at 0x00000280C16B5550, 16 bytes long.
Data: < dkÁ > 20 64 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000280C16B5F00, 16 bytes long.
Data: <øckÁ > F8 63 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000280C16B0D60, 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 0x00000280C16B6040, 16 bytes long.
Data: <ÐckÁ > D0 63 6B C1 80 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000280C16B63D0, 992 bytes long.
Data: <@`kÁ ` kÁ > 40 60 6B C1 80 02 00 00 60 0D 6B C1 80 02 00 00
{97} normal block at 0x00000280C16B17E0, 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 0x00000280C16AD0B0, 16 bytes long.
Data: < åiÁ > 90 E5 69 C1 80 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000280C169E590, 40 bytes long.
Data: <°ÐjÁ à kÁ > B0 D0 6A C1 80 02 00 00 E0 17 6B C1 80 02 00 00
{74} normal block at 0x00000280C16AD7E0, 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 0x00000280C16ADD30, 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 0x00000280C16AD560, 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 0x00000280C16AD060, 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 0x00000280C16AD9C0, 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 0x00000280C16AD2E0, 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 0x00000280C16ADB50, 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 0x00000280C16AD100, 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 0x00000280C16ADAB0, 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 0x00000280C16AD920, 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>
]]>
©2026 Universitat Pompeu Fabra