Task 38606866
| Name | hif2a_A34_A04_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a-0-6-RND3636_0 |
| Workunit | 31560616 |
| Created | 14 Apr 2026, 8:18:00 UTC |
| Sent | 14 Apr 2026, 8:23:14 UTC |
| Report deadline | 19 Apr 2026, 8:23:14 UTC |
| Received | 14 Apr 2026, 8:33:45 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 6 sec |
| CPU time | 3 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 | 161.09 MB |
| Peak swap size | 12.00 GB |
| Peak disk usage | 2.76 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>
10:24:15 (54244): wrapper (7.9.26016): starting
10:24:15 (54244): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A04_0.pdb
QB_A34_A04_0.xml
QB_A34_A04.inpcrd
QB_A34_A04_input.yaml
QB_A34_A04.pdb
QB_A34_A04.prmtop
QB_A34_A04_sys.xml
run.bat
run.sh
10:24:16 (54244): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:24:16 (54244): 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\17\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\17\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\17\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "c:\Boinc\004\slots\17\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "c:\Boinc\004\slots\17\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\17\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "c:\Boinc\004\slots\17\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "c:\Boinc\004\slots\17\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\17\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\17\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 32
10:24:30 (54244): C:/Windows/system32/cmd.exe exited; CPU time 3.812500
10:24:30 (54244): app exit status: 0x16
10:24:30 (54244): 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: 1028250 bytes.
Dumping objects ->
{3837283} normal block at 0x0000018406CD4BF0, 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 0x0000018408BB1080, 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 0x0000018408BB0F00, 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 0x0000018408BB1140, 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 0x0000018408BB1FE0, 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 0x0000018406CD4870, 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 0x0000018406D39C70, 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 0x0000018406CCDA10, 8 bytes long.
Data: < Æ „ > 00 00 C6 06 84 01 00 00
{3835676} normal block at 0x0000018406D3A220, 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 0x0000018406CCDCE0, 8 bytes long.
Data: < ×Ë „ > A0 D7 CB 06 84 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000018406CC15A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000018406CC1DB0, 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 0x0000018406CD5FF0, 16 bytes long.
Data: <øfÍ „ > F8 66 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000018406CD5FA0, 16 bytes long.
Data: <ÐfÍ „ > D0 66 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018406CD0E80, 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 0x0000018406CD5690, 16 bytes long.
Data: <¨fÍ „ > A8 66 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018406CD5AA0, 16 bytes long.
Data: < fÍ „ > 80 66 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018406CD55A0, 16 bytes long.
Data: <XfÍ „ > 58 66 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000018406CD5640, 16 bytes long.
Data: <0fÍ „ > 30 66 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018406CD4AA0, 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 0x0000018406CD5500, 16 bytes long.
Data: <è Ì „ > E8 07 CC 06 84 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018406CD1480, 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 0x0000018406CD5A50, 16 bytes long.
Data: <À Ì „ > C0 07 CC 06 84 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018406CD62C0, 16 bytes long.
Data: < Ì „ > 98 07 CC 06 84 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018406CD5910, 16 bytes long.
Data: <p Ì „ > 70 07 CC 06 84 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018406CD5F50, 16 bytes long.
Data: <H Ì „ > 48 07 CC 06 84 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018406CD57D0, 16 bytes long.
Data: < Ì „ > 20 07 CC 06 84 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018406CD6270, 16 bytes long.
Data: <ø Ì „ > F8 06 CC 06 84 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018406CD17E0, 32 bytes long.
Data: <CUDA_DEVICE=32 U> 43 55 44 41 5F 44 45 56 49 43 45 3D 33 32 00 55
{281} normal block at 0x0000018406CD6220, 16 bytes long.
Data: <Ð Ì „ > D0 06 CC 06 84 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018406CC06D0, 320 bytes long.
Data: < bÍ „ à Í „ > 20 62 CD 06 84 01 00 00 E0 17 CD 06 84 01 00 00
{279} normal block at 0x0000018406CD6180, 16 bytes long.
Data: < fÍ „ > 10 66 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018406CD55F0, 16 bytes long.
Data: <èeÍ „ > E8 65 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018406CD1420, 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 0x0000018406CD5EB0, 16 bytes long.
Data: <ÀeÍ „ > C0 65 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018406CD11E0, 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 0x0000018406CD5A00, 16 bytes long.
Data: < eÍ „ > 08 65 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000018406CD5960, 16 bytes long.
Data: <àdÍ „ > E0 64 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018406CD5870, 16 bytes long.
Data: <¸dÍ „ > B8 64 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018406CD6130, 16 bytes long.
Data: < dÍ „ > 90 64 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018406CD5E60, 16 bytes long.
Data: <hdÍ „ > 68 64 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018406CD5F00, 16 bytes long.
Data: <@dÍ „ > 40 64 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018406CD5E10, 16 bytes long.
Data: < NÍ „ > 20 4E CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018406CD4E20, 40 bytes long.
Data: < ^Í „ pHÍ „ > 10 5E CD 06 84 01 00 00 70 48 CD 06 84 01 00 00
{265} normal block at 0x0000018406CD61D0, 16 bytes long.
Data: < dÍ „ > 20 64 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018406CD6090, 16 bytes long.
Data: <øcÍ „ > F8 63 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018406CD1540, 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 0x0000018406CD54B0, 16 bytes long.
Data: <ÐcÍ „ > D0 63 CD 06 84 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018406CD63D0, 992 bytes long.
Data: <°TÍ „ @ Í „ > B0 54 CD 06 84 01 00 00 40 15 CD 06 84 01 00 00
{97} normal block at 0x0000018406CD1660, 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 0x0000018406CCD380, 16 bytes long.
Data: < åË „ > 90 E5 CB 06 84 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000018406CBE590, 40 bytes long.
Data: < ÓÌ „ ` Í „ > 80 D3 CC 06 84 01 00 00 60 16 CD 06 84 01 00 00
{74} normal block at 0x0000018406CCCF20, 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 0x0000018406CCD060, 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 0x0000018406CCD4C0, 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 0x0000018406CCD970, 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 0x0000018406CCD8D0, 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 0x0000018406CCD1A0, 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 0x0000018406CCD920, 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 0x0000018406CCD830, 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 0x0000018406CCDD80, 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 0x0000018406CCD9C0, 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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