Task 38597923
| Name | PTP1B_A04_A17_r0_3-QUICO_ATM_GAFF2_NAGL_PTP1B-0-6-RND2773_1 |
| Workunit | 31553476 |
| Created | 8 Apr 2026, 8:26:10 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 3 sec |
| CPU time | 15 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 | 292.98 MB |
| Peak swap size | 3.12 GB |
| Peak disk usage | 2.77 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>
10:42:11 (11000): wrapper (7.9.26016): starting
10:42:15 (11000): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A17_0.pdb
QB_A04_A17_0.xml
QB_A04_A17.inpcrd
QB_A04_A17_input.yaml
QB_A04_A17.pdb
QB_A04_A17.prmtop
QB_A04_A17_sys.xml
run.bat
run.sh
10:42:24 (11000): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:42:24 (11000): 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\10\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\10\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\10\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\10\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\10\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\10\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\10\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\10\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\10\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 1
10:43:12 (11000): C:/Windows/system32/cmd.exe exited; CPU time 23.562500
10:43:12 (11000): app exit status: 0x16
10:43:12 (11000): 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: 731377 bytes.
Dumping objects ->
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{3836830} normal block at 0x0000022BBED2F720, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
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Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3836788} normal block at 0x0000022BC07ABB20, 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 0x0000022BC0850D30, 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 0x0000022BBECF65A0, 8 bytes long.
Data: < XÀ+ > 00 00 58 C0 2B 02 00 00
{3835482} normal block at 0x0000022BC0851890, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
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Data: < stÀ+ > 00 73 74 C0 2B 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000022BBED013B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
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{286} normal block at 0x0000022BBECFD320, 48 bytes long.
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{285} normal block at 0x0000022BBED02620, 16 bytes long.
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Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000022BBED021C0, 16 bytes long.
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Data: <xÉϾ+ > 78 C9 CF BE 2B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022BBED03070, 16 bytes long.
Data: <PÉϾ+ > 50 C9 CF BE 2B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022BBED03020, 16 bytes long.
Data: <(ÉϾ+ > 28 C9 CF BE 2B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022BBED02350, 16 bytes long.
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{277} normal block at 0x0000022BBED02710, 16 bytes long.
Data: <ØÈϾ+ > D8 C8 CF BE 2B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022BBECFB470, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{275} normal block at 0x0000022BBED02DA0, 16 bytes long.
Data: <°ÈϾ+ > B0 C8 CF BE 2B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022BBECFC8B0, 320 bytes long.
Data: < -о+ p´Ï¾+ > A0 2D D0 BE 2B 02 00 00 70 B4 CF BE 2B 02 00 00
{273} normal block at 0x0000022BBED02FD0, 16 bytes long.
Data: <p9о+ > 70 39 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022BBED026C0, 16 bytes long.
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{271} normal block at 0x0000022BBECFBD70, 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 0x0000022BBED02F30, 16 bytes long.
Data: < 9о+ > 20 39 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022BBECFB350, 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 0x0000022BBED02C60, 16 bytes long.
Data: <h8о+ > 68 38 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022BBED03110, 16 bytes long.
Data: <@8о+ > 40 38 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022BBED02800, 16 bytes long.
Data: < 8о+ > 18 38 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022BBED02EE0, 16 bytes long.
Data: <ð7о+ > F0 37 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022BBED022B0, 16 bytes long.
Data: <È7о+ > C8 37 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022BBED02C10, 16 bytes long.
Data: < 7о+ > A0 37 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022BBED02F80, 16 bytes long.
Data: <ðÐϾ+ > F0 D0 CF BE 2B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022BBECFD0F0, 40 bytes long.
Data: < /о+ »zÀ+ > 80 2F D0 BE 2B 02 00 00 20 BB 7A C0 2B 02 00 00
{259} normal block at 0x0000022BBED02850, 16 bytes long.
Data: < 7о+ > 80 37 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022BBED02300, 16 bytes long.
Data: <X7о+ > 58 37 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000022BBECFAF90, 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 0x0000022BBED02440, 16 bytes long.
Data: <07о+ > 30 37 D0 BE 2B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000022BBED03730, 992 bytes long.
Data: <@$о+ ¯Ï¾+ > 40 24 D0 BE 2B 02 00 00 90 AF CF BE 2B 02 00 00
{91} normal block at 0x0000022BBECFB290, 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 0x0000022BBECF6F00, 16 bytes long.
Data: <°ÒϾ+ > B0 D2 CF BE 2B 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000022BBECFD2B0, 40 bytes long.
Data: < oϾ+ ²Ï¾+ > 00 6F CF BE 2B 02 00 00 90 B2 CF BE 2B 02 00 00
{68} normal block at 0x0000022BBECF6870, 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 0x0000022BBECF72C0, 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 0x0000022BBECF6F50, 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 0x0000022BBECF6730, 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 0x0000022BBECF7270, 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 0x0000022BBECF6550, 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 0x0000022BBECF6AF0, 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 0x0000022BBECF6E60, 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 0x0000022BBECF6370, 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 0x0000022BBECF7040, 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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