Task 38597128
| Name | p38_A03_A08_r0_5-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND2342_0 |
| Workunit | 31553045 |
| Created | 8 Apr 2026, 7:42:25 UTC |
| Sent | 8 Apr 2026, 7:53:15 UTC |
| Report deadline | 13 Apr 2026, 7:53:15 UTC |
| Received | 8 Apr 2026, 8:16:43 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 643393 |
| Run time | 4 min 2 sec |
| CPU time | 10 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,753.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 206.83 MB |
| Peak swap size | 3.03 GB |
| Peak disk usage | 4.02 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann <sporadic_ac> nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:57:56 (5996): wrapper (7.9.26016): starting
09:57:57 (5996): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A08_0.pdb
QB_A03_A08_0.xml
QB_A03_A08.inpcrd
QB_A03_A08_input.yaml
QB_A03_A08.pdb
QB_A03_A08.prmtop
QB_A03_A08_sys.xml
run.bat
run.sh
09:58:01 (5996): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:58:01 (5996): 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:\ProgramData\BOINC\slots\15\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:\ProgramData\BOINC\slots\15\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:\ProgramData\BOINC\slots\15\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\15\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:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\15\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\15\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:\ProgramData\BOINC\slots\15\Lib\site-packages\openmm\app\simulation.py", line 106, in __init__
self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\15\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 5
09:58:48 (5996): C:/Windows/system32/cmd.exe exited; CPU time 19.093750
09:58:48 (5996): app exit status: 0x16
09:58:48 (5996): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 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: 612525 bytes.
Dumping objects ->
{3836862} normal block at 0x000002517D045830, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836851} normal block at 0x000002517D0453D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836840} normal block at 0x000002517D0457C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3836829} normal block at 0x000002517D0450C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836818} normal block at 0x000002517D044F70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3836787} normal block at 0x000002517CFE9BB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836776} normal block at 0x000002517B5E70C0, 141 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) : {3836773} normal block at 0x000002517B556200, 8 bytes long.
Data: < ã|Q > 00 00 E3 7C 51 02 00 00
{3835482} normal block at 0x000002517B5E6630, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000002517B5564D0, 8 bytes long.
Data: < p }Q > 80 70 0D 7D 51 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002517B55F210, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002517B55A6E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000002517B560E80, 16 bytes long.
Data: <¸ V{Q > B8 14 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002517B560DE0, 16 bytes long.
Data: < V{Q > 90 14 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002517B559B40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000002517B560890, 16 bytes long.
Data: <h V{Q > 68 14 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002517B560700, 16 bytes long.
Data: <@ V{Q > 40 14 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002517B560980, 16 bytes long.
Data: < V{Q > 18 14 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002517B5602A0, 16 bytes long.
Data: <ð V{Q > F0 13 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002517B55AF50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000002517B560CA0, 16 bytes long.
Data: <x¦U{Q > 78 A6 55 7B 51 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002517B5592A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000002517B5606B0, 16 bytes long.
Data: <P¦U{Q > 50 A6 55 7B 51 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002517B560480, 16 bytes long.
Data: <(¦U{Q > 28 A6 55 7B 51 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002517B560D90, 16 bytes long.
Data: < ¦U{Q > 00 A6 55 7B 51 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002517B560840, 16 bytes long.
Data: <Ø¥U{Q > D8 A5 55 7B 51 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002517B560570, 16 bytes long.
Data: <°¥U{Q > B0 A5 55 7B 51 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002517B5607F0, 16 bytes long.
Data: < ¥U{Q > 88 A5 55 7B 51 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002517B559120, 32 bytes long.
Data: <CUDA_DEVICE=5 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 35 00 50 55
{275} normal block at 0x000002517B560340, 16 bytes long.
Data: <`¥U{Q > 60 A5 55 7B 51 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002517B55A560, 320 bytes long.
Data: <@ V{Q ‘U{Q > 40 03 56 7B 51 02 00 00 20 91 55 7B 51 02 00 00
{273} normal block at 0x000002517B560F20, 16 bytes long.
Data: <Ð V{Q > D0 13 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002517B560930, 16 bytes long.
Data: <¨ V{Q > A8 13 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002517B5591E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000002517B560F70, 16 bytes long.
Data: < V{Q > 80 13 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002517B558FA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000002517B560160, 16 bytes long.
Data: <È V{Q > C8 12 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002517B560520, 16 bytes long.
Data: <  V{Q > A0 12 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002517B560D40, 16 bytes long.
Data: <x V{Q > 78 12 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002517B5609D0, 16 bytes long.
Data: <P V{Q > 50 12 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002517B560C50, 16 bytes long.
Data: <( V{Q > 28 12 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002517B560750, 16 bytes long.
Data: < V{Q > 00 12 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002517B5605C0, 16 bytes long.
Data: < ®U{Q > 00 AE 55 7B 51 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002517B55AE00, 40 bytes long.
Data: <À V{Q °›þ|Q > C0 05 56 7B 51 02 00 00 B0 9B FE 7C 51 02 00 00
{259} normal block at 0x000002517B560CF0, 16 bytes long.
Data: <à V{Q > E0 11 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002517B560610, 16 bytes long.
Data: <¸ V{Q > B8 11 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002517B559600, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000002517B560B60, 16 bytes long.
Data: < V{Q > 90 11 56 7B 51 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002517B561190, 992 bytes long.
Data: <` V{Q –U{Q > 60 0B 56 7B 51 02 00 00 00 96 55 7B 51 02 00 00
{91} normal block at 0x000002517B558DC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000002517B556B10, 16 bytes long.
Data: < ´U{Q > 90 B4 55 7B 51 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002517B55B490, 40 bytes long.
Data: < kU{Q À U{Q > 10 6B 55 7B 51 02 00 00 C0 8D 55 7B 51 02 00 00
{68} normal block at 0x000002517B5561B0, 16 bytes long.
Data: < ê²Wö > 80 EA B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002517B556700, 16 bytes long.
Data: <@é²Wö > 40 E9 B2 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002517B556AC0, 16 bytes long.
Data: <øW¯Wö > F8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002517B556DE0, 16 bytes long.
Data: <ØW¯Wö > D8 57 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002517B555F80, 16 bytes long.
Data: <P ¯Wö > 50 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002517B556110, 16 bytes long.
Data: <0 ¯Wö > 30 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002517B5566B0, 16 bytes long.
Data: <à ¯Wö > E0 02 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002517B556CA0, 16 bytes long.
Data: < ¯Wö > 10 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002517B556A70, 16 bytes long.
Data: <p ¯Wö > 70 04 AF 57 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002517B556E80, 16 bytes long.
Data: < À­Wö > 18 C0 AD 57 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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