Task 38597694
| Name | BACE_A32_A14_r0_4-QUICO_ATM_GAFF2_NAGL_BACE-0-6-RND6188_1 |
| Workunit | 31552902 |
| Created | 8 Apr 2026, 7:57:43 UTC |
| Sent | 8 Apr 2026, 8:37:57 UTC |
| Report deadline | 13 Apr 2026, 8:37:57 UTC |
| Received | 8 Apr 2026, 9:08:54 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 1 sec |
| CPU time | 16 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 | 278.97 MB |
| Peak swap size | 3.11 GB |
| Peak disk usage | 2.78 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>
10:42:15 (7856): wrapper (7.9.26016): starting
10:42:15 (7856): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A14_0.pdb
QB_A32_A14_0.xml
QB_A32_A14.inpcrd
QB_A32_A14_input.yaml
QB_A32_A14.pdb
QB_A32_A14.prmtop
QB_A32_A14_sys.xml
run.bat
run.sh
10:42:24 (7856): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:42:24 (7856): 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\13\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\13\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\13\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\13\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\13\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\13\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\13\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\13\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\13\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
10:43:14 (7856): C:/Windows/system32/cmd.exe exited; CPU time 25.250000
10:43:14 (7856): app exit status: 0x16
10:43:14 (7856): 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: 732825 bytes.
Dumping objects ->
{3836863} normal block at 0x000001EB040C1060, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836852} normal block at 0x000001EB040C0C00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836841} normal block at 0x000001EB040C0C70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3836830} normal block at 0x000001EB040C0DC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836819} normal block at 0x000001EB040C0570, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3836788} normal block at 0x000001EB040EC000, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836777} normal block at 0x000001EB04190F40, 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 0x000001EB025171A0, 8 bytes long.
Data: < O ë > 00 00 4F 02 EB 01 00 00
{3835482} normal block at 0x000001EB04190720, 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 0x000001EB02516430, 8 bytes long.
Data: <À! ë > C0 21 0C 04 EB 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001EB0251F250, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EB02505090, 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 0x000001EB025207E0, 16 bytes long.
Data: <È R ë > C8 15 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EB025210A0, 16 bytes long.
Data: <  R ë > A0 15 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EB02519730, 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 0x000001EB02521190, 16 bytes long.
Data: <x R ë > 78 15 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EB02521050, 16 bytes long.
Data: <P R ë > 50 15 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EB02520E70, 16 bytes long.
Data: <( R ë > 28 15 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EB025205B0, 16 bytes long.
Data: < R ë > 00 15 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EB0251B280, 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 0x000001EB02520D30, 16 bytes long.
Data: <(PP ë > 28 50 50 02 EB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EB025196D0, 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 0x000001EB02520650, 16 bytes long.
Data: < PP ë > 00 50 50 02 EB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EB02520330, 16 bytes long.
Data: <ØOP ë > D8 4F 50 02 EB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EB02520CE0, 16 bytes long.
Data: <°OP ë > B0 4F 50 02 EB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EB02520C90, 16 bytes long.
Data: < OP ë > 88 4F 50 02 EB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EB02520BA0, 16 bytes long.
Data: <`OP ë > 60 4F 50 02 EB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EB025209C0, 16 bytes long.
Data: <8OP ë > 38 4F 50 02 EB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EB02519670, 32 bytes long.
Data: <CUDA_DEVICE=2 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 32 00 50 55
{275} normal block at 0x000001EB025204C0, 16 bytes long.
Data: < OP ë > 10 4F 50 02 EB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EB02504F10, 320 bytes long.
Data: <À R ë p–Q ë > C0 04 52 02 EB 01 00 00 70 96 51 02 EB 01 00 00
{273} normal block at 0x000001EB02520470, 16 bytes long.
Data: <à R ë > E0 14 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EB02520790, 16 bytes long.
Data: <¸ R ë > B8 14 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EB02519490, 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 0x000001EB02520FB0, 16 bytes long.
Data: < R ë > 90 14 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EB02519430, 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 0x000001EB025203D0, 16 bytes long.
Data: <Ø R ë > D8 13 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EB02520C40, 16 bytes long.
Data: <° R ë > B0 13 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EB02520E20, 16 bytes long.
Data: < R ë > 88 13 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EB025206F0, 16 bytes long.
Data: <` R ë > 60 13 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EB02520740, 16 bytes long.
Data: <8 R ë > 38 13 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EB02520B50, 16 bytes long.
Data: < R ë > 10 13 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EB02520380, 16 bytes long.
Data: <P°Q ë > 50 B0 51 02 EB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EB0251B050, 40 bytes long.
Data: < R ë À ë > 80 03 52 02 EB 01 00 00 00 C0 0E 04 EB 01 00 00
{259} normal block at 0x000001EB02520600, 16 bytes long.
Data: <ð R ë > F0 12 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EB02520920, 16 bytes long.
Data: <È R ë > C8 12 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001EB02519550, 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 0x000001EB02520970, 16 bytes long.
Data: <  R ë > A0 12 52 02 EB 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001EB025212A0, 992 bytes long.
Data: <p R ë P•Q ë > 70 09 52 02 EB 01 00 00 50 95 51 02 EB 01 00 00
{91} normal block at 0x000001EB025197F0, 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 0x000001EB025165C0, 16 bytes long.
Data: < ¶Q ë > 00 B6 51 02 EB 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001EB0251B600, 40 bytes long.
Data: <ÀeQ ë ð—Q ë > C0 65 51 02 EB 01 00 00 F0 97 51 02 EB 01 00 00
{68} normal block at 0x000001EB025167F0, 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 0x000001EB02516F20, 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 0x000001EB02517150, 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 0x000001EB025170B0, 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 0x000001EB02516D40, 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 0x000001EB02516E80, 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 0x000001EB02516340, 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 0x000001EB02516CF0, 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 0x000001EB025167A0, 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 0x000001EB02516750, 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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