Task 38596739
| Name | BACE_A21_A30_r0_2-QUICO_ATM_GAFF2_NAGL_BACE-0-6-RND4201_0 |
| Workunit | 31552677 |
| Created | 8 Apr 2026, 7:33:37 UTC |
| Sent | 8 Apr 2026, 7:33:48 UTC |
| Report deadline | 13 Apr 2026, 7:33:48 UTC |
| Received | 8 Apr 2026, 7:38:15 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 13 sec |
| CPU time | |
| 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 | 11.03 MB |
| Peak swap size | 6.40 MB |
| Peak disk usage | 1.42 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>
09:36:28 (27912): wrapper (7.9.26016): starting
09:36:28 (27912): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A30_0.pdb
QB_A21_A30_0.xml
QB_A21_A30.inpcrd
QB_A21_A30_input.yaml
QB_A21_A30.pdb
QB_A21_A30.prmtop
QB_A21_A30_sys.xml
run.bat
run.sh
09:36:30 (27912): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:36:30 (27912): 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: 13
09:37:17 (27912): C:/Windows/system32/cmd.exe exited; CPU time 14.218750
09:37:17 (27912): app exit status: 0x16
09:37:17 (27912): 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: 1111154 bytes.
Dumping objects ->
{3836872} normal block at 0x000002440F216C90, 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 0x000002440F2168A0, 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 0x000002440F216830, 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 0x000002440F216A60, 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 0x000002440F216520, 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 0x0000024410CAC070, 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 0x0000024410D51450, 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 0x000002440F1E8B80, 8 bytes long.
Data: < D > 00 00 1B 0F 44 02 00 00
{3835487} normal block at 0x0000024410D51930, 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 0x000002440F1E86D0, 8 bytes long.
Data: <ðFÜ D > F0 46 DC 10 44 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002440F1F1BE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002440F1D6500, 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 0x000002440F1F3A80, 16 bytes long.
Data: <XC D > 58 43 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002440F1F39E0, 16 bytes long.
Data: <0C D > 30 43 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002440F1ED470, 32 bytes long.
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{291} normal block at 0x000002440F1F3350, 16 bytes long.
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{288} normal block at 0x000002440F1F31C0, 16 bytes long.
Data: < B D > 90 42 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002440F1EED70, 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 0x000002440F1F33F0, 16 bytes long.
Data: < d D > 98 64 1D 0F 44 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002440F1ED530, 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 0x000002440F1F3B70, 16 bytes long.
Data: <pd D > 70 64 1D 0F 44 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002440F1F3A30, 16 bytes long.
Data: <Hd D > 48 64 1D 0F 44 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002440F1F3940, 16 bytes long.
Data: < d D > 20 64 1D 0F 44 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002440F1F3080, 16 bytes long.
Data: <øc D > F8 63 1D 0F 44 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002440F1F2E00, 16 bytes long.
Data: <Ðc D > D0 63 1D 0F 44 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002440F1F38F0, 16 bytes long.
Data: <¨c D > A8 63 1D 0F 44 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002440F1ED050, 32 bytes long.
Data: <CUDA_DEVICE=13 U> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 33 00 55
{276} normal block at 0x000002440F1F3620, 16 bytes long.
Data: < c D > 80 63 1D 0F 44 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002440F1D6380, 320 bytes long.
Data: < 6 D PÐ D > 20 36 1F 0F 44 02 00 00 50 D0 1E 0F 44 02 00 00
{274} normal block at 0x000002440F1F3170, 16 bytes long.
Data: <pB D > 70 42 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002440F1F3800, 16 bytes long.
Data: <HB D > 48 42 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002440F1ED3B0, 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 0x000002440F1F2F40, 16 bytes long.
Data: < B D > 20 42 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002440F1ED590, 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 0x000002440F1F2CC0, 16 bytes long.
Data: <hA D > 68 41 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002440F1F3120, 16 bytes long.
Data: <@A D > 40 41 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002440F1F3300, 16 bytes long.
Data: < A D > 18 41 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002440F1F3030, 16 bytes long.
Data: <ð@ D > F0 40 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002440F1F30D0, 16 bytes long.
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{264} normal block at 0x000002440F1F2FE0, 16 bytes long.
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{262} normal block at 0x000002440F1F3580, 16 bytes long.
Data: < í D > 00 ED 1E 0F 44 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002440F1EED00, 40 bytes long.
Data: < 5 D pÀÊ D > 80 35 1F 0F 44 02 00 00 70 C0 CA 10 44 02 00 00
{260} normal block at 0x000002440F1F3990, 16 bytes long.
Data: < @ D > 80 40 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002440F1F2DB0, 16 bytes long.
Data: <X@ D > 58 40 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002440F1ECFF0, 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 0x000002440F1F35D0, 16 bytes long.
Data: <0@ D > 30 40 1F 0F 44 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002440F1F4030, 992 bytes long.
Data: <Ð5 D ðÏ D > D0 35 1F 0F 44 02 00 00 F0 CF 1E 0F 44 02 00 00
{92} normal block at 0x000002440F1ED650, 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 0x000002440F1E8540, 16 bytes long.
Data: < ì D > 90 EC 1E 0F 44 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002440F1EEC90, 40 bytes long.
Data: <@… D PÖ D > 40 85 1E 0F 44 02 00 00 50 D6 1E 0F 44 02 00 00
{69} normal block at 0x000002440F1E80E0, 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 0x000002440F1E84F0, 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 0x000002440F1E8310, 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 0x000002440F1E8400, 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 0x000002440F1E89F0, 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 0x000002440F1E7E10, 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 0x000002440F1E8A90, 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 0x000002440F1E8680, 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 0x000002440F1E8770, 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 0x000002440F1E82C0, 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>
]]>
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