Task 38607163
| Name | CDK2_A08_A10_r0_4-QUICO_ATM_GAFF2_NAGL_CDK2-0-6-RND2431_1 |
| Workunit | 31560767 |
| Created | 14 Apr 2026, 8:41:08 UTC |
| Sent | 14 Apr 2026, 8:42:08 UTC |
| Report deadline | 19 Apr 2026, 8:42:08 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 | 13 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 | 436.13 MB |
| Peak swap size | 12.28 GB |
| Peak disk usage | 2.03 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>
10:43:08 (32616): wrapper (7.9.26016): starting
10:43:08 (32616): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A10_0.pdb
QB_A08_A10_0.xml
QB_A08_A10.inpcrd
QB_A08_A10_input.yaml
QB_A08_A10.pdb
QB_A08_A10.prmtop
QB_A08_A10_sys.xml
run.bat
run.sh
10:43:09 (32616): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:43:09 (32616): 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\34\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\34\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\34\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "c:\Boinc\004\slots\34\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "c:\Boinc\004\slots\34\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\34\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "c:\Boinc\004\slots\34\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "c:\Boinc\004\slots\34\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\34\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\34\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 34
10:43:35 (32616): C:/Windows/system32/cmd.exe exited; CPU time 13.125000
10:43:35 (32616): app exit status: 0x16
10:43:35 (32616): 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: 1337900 bytes.
Dumping objects ->
{3837283} normal block at 0x00000251B5134830, 48 bytes long.
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 0x00000251B6F151D0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3837261} normal block at 0x00000251B6F15170, 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 0x00000251B6F164F0, 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 0x00000251B6F15E30, 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 0x00000251B51347C0, 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 0x00000251B5199B60, 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 0x00000251B512DA20, 8 bytes long.
Data: < µQ > 00 00 0D B5 51 02 00 00
{3835676} normal block at 0x00000251B519A380, 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 0x00000251B512D250, 8 bytes long.
Data: < × µQ > A0 D7 11 B5 51 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000251B51208E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000251B5122310, 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 0x00000251B5135FB0, 16 bytes long.
Data: <¸f µQ > B8 66 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000251B5135F60, 16 bytes long.
Data: < f µQ > 90 66 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000251B5131620, 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 0x00000251B5135F10, 16 bytes long.
Data: <hf µQ > 68 66 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000251B5135EC0, 16 bytes long.
Data: <@f µQ > 40 66 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000251B5135D30, 16 bytes long.
Data: < f µQ > 18 66 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000251B5135CE0, 16 bytes long.
Data: <ðe µQ > F0 65 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000251B51349F0, 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 0x00000251B5136140, 16 bytes long.
Data: < î µQ > 88 EE 11 B5 51 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000251B5130BA0, 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 0x00000251B51357E0, 16 bytes long.
Data: <`î µQ > 60 EE 11 B5 51 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000251B5135C40, 16 bytes long.
Data: <8î µQ > 38 EE 11 B5 51 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000251B5135470, 16 bytes long.
Data: < î µQ > 10 EE 11 B5 51 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000251B5135E70, 16 bytes long.
Data: <èí µQ > E8 ED 11 B5 51 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000251B51360F0, 16 bytes long.
Data: <Àí µQ > C0 ED 11 B5 51 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000251B5135BF0, 16 bytes long.
Data: < í µQ > 98 ED 11 B5 51 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000251B5130C60, 32 bytes long.
Data: <CUDA_DEVICE=34 U> 43 55 44 41 5F 44 45 56 49 43 45 3D 33 34 00 55
{281} normal block at 0x00000251B5135B00, 16 bytes long.
Data: <pí µQ > 70 ED 11 B5 51 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000251B511ED70, 320 bytes long.
Data: < [ µQ ` µQ > 00 5B 13 B5 51 02 00 00 60 0C 13 B5 51 02 00 00
{279} normal block at 0x00000251B5135740, 16 bytes long.
Data: <Ðe µQ > D0 65 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000251B5135C90, 16 bytes long.
Data: <¨e µQ > A8 65 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000251B51315C0, 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 0x00000251B5135E20, 16 bytes long.
Data: < e µQ > 80 65 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000251B5131080, 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 0x00000251B5135AB0, 16 bytes long.
Data: <Èd µQ > C8 64 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000251B5136230, 16 bytes long.
Data: < d µQ > A0 64 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000251B5136000, 16 bytes long.
Data: <xd µQ > 78 64 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000251B5135DD0, 16 bytes long.
Data: <Pd µQ > 50 64 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000251B5135BA0, 16 bytes long.
Data: <(d µQ > 28 64 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000251B5135650, 16 bytes long.
Data: < d µQ > 00 64 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000251B51354C0, 16 bytes long.
Data: < I µQ > 80 49 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000251B5134980, 40 bytes long.
Data: <ÀT µQ ÀG µQ > C0 54 13 B5 51 02 00 00 C0 47 13 B5 51 02 00 00
{265} normal block at 0x00000251B51361E0, 16 bytes long.
Data: <àc µQ > E0 63 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000251B5135A60, 16 bytes long.
Data: <¸c µQ > B8 63 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000251B51309C0, 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 0x00000251B5135D80, 16 bytes long.
Data: < c µQ > 90 63 13 B5 51 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000251B5136390, 992 bytes long.
Data: < ] µQ À µQ > 80 5D 13 B5 51 02 00 00 C0 09 13 B5 51 02 00 00
{97} normal block at 0x00000251B5131020, 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 0x00000251B512DBB0, 16 bytes long.
Data: <@Á µQ > 40 C1 11 B5 51 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000251B511C140, 40 bytes long.
Data: <°Û µQ µQ > B0 DB 12 B5 51 02 00 00 20 10 13 B5 51 02 00 00
{74} normal block at 0x00000251B512CF80, 16 bytes long.
Data: < ê ”ö > 80 EA 0B 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000251B512CF30, 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 0x00000251B512CEE0, 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 0x00000251B512D9D0, 16 bytes long.
Data: <ØW ”ö > D8 57 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000251B512DDE0, 16 bytes long.
Data: <P ”ö > 50 04 08 94 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000251B512DD90, 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 0x00000251B512DB10, 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 0x00000251B512D390, 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 0x00000251B512DE30, 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 0x00000251B512D340, 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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