Task 38596941
| Name | BACE_A32_A11_r0_1-QUICO_ATM_GAFF2_NAGL_BACE-0-6-RND7818_0 |
| Workunit | 31552876 |
| Created | 8 Apr 2026, 7:37:54 UTC |
| Sent | 8 Apr 2026, 7:45:52 UTC |
| Report deadline | 13 Apr 2026, 7:45:52 UTC |
| Received | 8 Apr 2026, 7:57:42 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 505468 |
| Run time | 1 min 8 sec |
| CPU time | 6 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,611.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 26.39 MB |
| Peak swap size | 18.79 MB |
| Peak disk usage | 2.78 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
09:47:19 (34352): wrapper (7.9.26016): starting
09:47:19 (34352): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A11_0.pdb
QB_A32_A11_0.xml
QB_A32_A11.inpcrd
QB_A32_A11_input.yaml
QB_A32_A11.pdb
QB_A32_A11.prmtop
QB_A32_A11_sys.xml
run.bat
run.sh
09:47:22 (34352): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:47:22 (34352): 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\7\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\7\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\7\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\7\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\7\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\7\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\7\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\7\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\7\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 7
09:48:05 (34352): C:/Windows/system32/cmd.exe exited; CPU time 16.015625
09:48:05 (34352): app exit status: 0x16
09:48:05 (34352): 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: 1118855 bytes.
Dumping objects ->
{3836872} normal block at 0x00000283B3B46930, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836861} normal block at 0x00000283B3B46C40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836850} normal block at 0x00000283B3B46B60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3836839} normal block at 0x00000283B3B47260, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836828} normal block at 0x00000283B3B46E70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3836797} normal block at 0x00000283B575CC50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836786} normal block at 0x00000283B3B7A840, 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) : {3836783} normal block at 0x00000283B3B184F0, 8 bytes long.
Data: < ¬³ƒ > 00 00 AC B3 83 02 00 00
{3835487} normal block at 0x00000283B3B7AB80, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000283B3B187C0, 8 bytes long.
Data: <@P„µƒ > 40 50 84 B5 83 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000283B3B1E400, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000283B3B06380, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000283B3B238F0, 16 bytes long.
Data: < C²³ƒ > 08 43 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000283B3B22F40, 16 bytes long.
Data: <àB²³ƒ > E0 42 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000283B3B1C9A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000283B3B22D10, 16 bytes long.
Data: <¸B²³ƒ > B8 42 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000283B3B238A0, 16 bytes long.
Data: < B²³ƒ > 90 42 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000283B3B23030, 16 bytes long.
Data: <hB²³ƒ > 68 42 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000283B3B22EF0, 16 bytes long.
Data: <@B²³ƒ > 40 42 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000283B3B1EF50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000283B3B23800, 16 bytes long.
Data: <h𳃠> 68 C3 B0 B3 83 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000283B3B1D840, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000283B3B23760, 16 bytes long.
Data: <@𳃠> 40 C3 B0 B3 83 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000283B3B23710, 16 bytes long.
Data: < 𳃠> 18 C3 B0 B3 83 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000283B3B236C0, 16 bytes long.
Data: <𰳃 > F0 C2 B0 B3 83 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000283B3B23580, 16 bytes long.
Data: <È°³ƒ > C8 C2 B0 B3 83 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000283B3B23260, 16 bytes long.
Data: < Â°³ƒ > A0 C2 B0 B3 83 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000283B3B23350, 16 bytes long.
Data: <x°³ƒ > 78 C2 B0 B3 83 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000283B3B1CF40, 32 bytes long.
Data: <CUDA_DEVICE=7 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 37 00 50 55
{276} normal block at 0x00000283B3B23940, 16 bytes long.
Data: <P°³ƒ > 50 C2 B0 B3 83 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000283B3B0C250, 320 bytes long.
Data: <@9²³ƒ @ϱ³ƒ > 40 39 B2 B3 83 02 00 00 40 CF B1 B3 83 02 00 00
{274} normal block at 0x00000283B3B22E50, 16 bytes long.
Data: < B²³ƒ > 20 42 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000283B3B23530, 16 bytes long.
Data: <øA²³ƒ > F8 41 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000283B3B1CDC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000283B3B23210, 16 bytes long.
Data: <ÐA²³ƒ > D0 41 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000283B3B1CB20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000283B3B234E0, 16 bytes long.
Data: < A²³ƒ > 18 41 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000283B3B22CC0, 16 bytes long.
Data: <ð@²³ƒ > F0 40 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000283B3B22D60, 16 bytes long.
Data: <È@²³ƒ > C8 40 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000283B3B22E00, 16 bytes long.
Data: < @²³ƒ > A0 40 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000283B3B22C70, 16 bytes long.
Data: <x@²³ƒ > 78 40 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000283B3B235D0, 16 bytes long.
Data: <P@²³ƒ > 50 40 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000283B3B22EA0, 16 bytes long.
Data: < í±³ƒ > 90 ED B1 B3 83 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000283B3B1ED90, 40 bytes long.
Data: < .²³ƒ PÌuµƒ > A0 2E B2 B3 83 02 00 00 50 CC 75 B5 83 02 00 00
{260} normal block at 0x00000283B3B23440, 16 bytes long.
Data: <0@²³ƒ > 30 40 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000283B3B22C20, 16 bytes long.
Data: < @²³ƒ > 08 40 B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000283B3B1CAC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000283B3B22DB0, 16 bytes long.
Data: <à?²³ƒ > E0 3F B2 B3 83 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000283B3B23FE0, 992 bytes long.
Data: <°-²³ƒ Àʱ³ƒ > B0 2D B2 B3 83 02 00 00 C0 CA B1 B3 83 02 00 00
{92} normal block at 0x00000283B3B1D2A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000283B3B184A0, 16 bytes long.
Data: < ê±³ƒ > 10 EA B1 B3 83 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000283B3B1EA10, 40 bytes long.
Data: < „±³ƒ  Ò±³ƒ > A0 84 B1 B3 83 02 00 00 A0 D2 B1 B3 83 02 00 00
{69} normal block at 0x00000283B3B18180, 16 bytes long.
Data: < êDN÷ > 80 EA 44 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000283B3B189F0, 16 bytes long.
Data: <@éDN÷ > 40 E9 44 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000283B3B18130, 16 bytes long.
Data: <øWAN÷ > F8 57 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000283B3B18400, 16 bytes long.
Data: <ØWAN÷ > D8 57 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000283B3B18720, 16 bytes long.
Data: <P AN÷ > 50 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000283B3B18090, 16 bytes long.
Data: <0 AN÷ > 30 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000283B3B18630, 16 bytes long.
Data: <à AN÷ > E0 02 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000283B3B18040, 16 bytes long.
Data: < AN÷ > 10 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000283B3B185E0, 16 bytes long.
Data: <p AN÷ > 70 04 41 4E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000283B3B18AE0, 16 bytes long.
Data: < À?N÷ > 18 C0 3F 4E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra