Task 38607305
| Name | CDK2_A06_A01_r0_5-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND9175_1 |
| Workunit | 31560743 |
| 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 | 51 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 | 287.96 MB |
| Peak swap size | 12.14 GB |
| Peak disk usage | 1.44 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>
11:12:59 (7484): wrapper (7.9.26016): starting
11:12:59 (7484): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A01_0.pdb
QB_A06_A01_0.xml
QB_A06_A01.inpcrd
QB_A06_A01_input.yaml
QB_A06_A01.pdb
QB_A06_A01.prmtop
QB_A06_A01_sys.xml
run.bat
run.sh
11:13:01 (7484): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:13:01 (7484): 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\0\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\0\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\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "c:\Boinc\005\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "c:\Boinc\005\slots\0\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\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "c:\Boinc\005\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "c:\Boinc\005\slots\0\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\0\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\0\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 2
11:13:37 (7484): C:/Windows/system32/cmd.exe exited; CPU time 15.281250
11:13:37 (7484): app exit status: 0x16
11:13:37 (7484): 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: 1638475 bytes.
Dumping objects ->
{3837285} normal block at 0x00000222B9BC4790, 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 0x00000222BBA6FA80, 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 0x00000222BBA6F9C0, 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 0x00000222BBA70140, 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 0x00000222BBA703E0, 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 0x00000222B9BC4A30, 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 0x00000222B9C29B30, 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 0x00000222B9BBD180, 8 bytes long.
Data: < º" > 00 00 05 BA 22 02 00 00
{3835676} normal block at 0x00000222B9C2A350, 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 0x00000222B9BBD450, 8 bytes long.
Data: < ×º¹" > A0 D7 BA B9 22 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000222B9BB1970, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000222B9BAF870, 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 0x00000222B9BC5E40, 16 bytes long.
Data: < f¼¹" > 88 66 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000222B9BC5990, 16 bytes long.
Data: <`f¼¹" > 60 66 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000222B9BC12F0, 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 0x00000222B9BC5D50, 16 bytes long.
Data: <8f¼¹" > 38 66 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000222B9BC57B0, 16 bytes long.
Data: < f¼¹" > 10 66 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000222B9BC6250, 16 bytes long.
Data: <èe¼¹" > E8 65 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000222B9BC59E0, 16 bytes long.
Data: <Àe¼¹" > C0 65 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000222B9BC4B80, 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 0x00000222B9BC5710, 16 bytes long.
Data: < »¹" > 88 02 BB B9 22 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000222B9BC1710, 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 0x00000222B9BC61B0, 16 bytes long.
Data: <` »¹" > 60 02 BB B9 22 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000222B9BC58F0, 16 bytes long.
Data: <8 »¹" > 38 02 BB B9 22 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000222B9BC5490, 16 bytes long.
Data: < »¹" > 10 02 BB B9 22 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000222B9BC5440, 16 bytes long.
Data: <è »¹" > E8 01 BB B9 22 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000222B9BC53F0, 16 bytes long.
Data: <À »¹" > C0 01 BB B9 22 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000222B9BC58A0, 16 bytes long.
Data: < »¹" > 98 01 BB B9 22 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000222B9BC10B0, 32 bytes long.
Data: <CUDA_DEVICE=2 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 32 00 50 55
{281} normal block at 0x00000222B9BC5850, 16 bytes long.
Data: <p »¹" > 70 01 BB B9 22 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000222B9BB0170, 320 bytes long.
Data: <PX¼¹" ° ¼¹" > 50 58 BC B9 22 02 00 00 B0 10 BC B9 22 02 00 00
{279} normal block at 0x00000222B9BC5760, 16 bytes long.
Data: < e¼¹" > A0 65 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000222B9BC5CB0, 16 bytes long.
Data: <xe¼¹" > 78 65 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000222B9BC0A50, 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 0x00000222B9BC5C10, 16 bytes long.
Data: <Pe¼¹" > 50 65 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000222B9BC0F30, 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 0x00000222B9BC5EE0, 16 bytes long.
Data: < d¼¹" > 98 64 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000222B9BC5800, 16 bytes long.
Data: <pd¼¹" > 70 64 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000222B9BC5B20, 16 bytes long.
Data: <Hd¼¹" > 48 64 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000222B9BC5AD0, 16 bytes long.
Data: < d¼¹" > 20 64 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000222B9BC5BC0, 16 bytes long.
Data: <øc¼¹" > F8 63 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000222B9BC5E90, 16 bytes long.
Data: <Ðc¼¹" > D0 63 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000222B9BC5B70, 16 bytes long.
Data: < K¼¹" > 10 4B BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000222B9BC4B10, 40 bytes long.
Data: <p[¼¹" 0J¼¹" > 70 5B BC B9 22 02 00 00 30 4A BC B9 22 02 00 00
{265} normal block at 0x00000222B9BC56C0, 16 bytes long.
Data: <°c¼¹" > B0 63 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000222B9BC5670, 16 bytes long.
Data: < c¼¹" > 88 63 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000222B9BC09F0, 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 0x00000222B9BC62F0, 16 bytes long.
Data: <`c¼¹" > 60 63 BC B9 22 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000222B9BC6360, 992 bytes long.
Data: <ðb¼¹" ð ¼¹" > F0 62 BC B9 22 02 00 00 F0 09 BC B9 22 02 00 00
{97} normal block at 0x00000222B9BC11D0, 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 0x00000222B9BBD680, 16 bytes long.
Data: < Óº¹" > 00 D3 BA B9 22 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000222B9BAD300, 40 bytes long.
Data: < Ö»¹" Ð ¼¹" > 80 D6 BB B9 22 02 00 00 D0 11 BC B9 22 02 00 00
{74} normal block at 0x00000222B9BBD770, 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 0x00000222B9BBD270, 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 0x00000222B9BBD400, 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 0x00000222B9BBD040, 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 0x00000222B9BBDE00, 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 0x00000222B9BBD090, 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 0x00000222B9BBDB30, 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 0x00000222B9BBDAE0, 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 0x00000222B9BBCEB0, 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 0x00000222B9BBD6D0, 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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