Task 38597927
| Name | PTP1B_A10_A15_r0_1-QUICO_ATM_GAFF2_NAGL_PTP1B-0-6-RND8423_1 |
| Workunit | 31553544 |
| Created | 8 Apr 2026, 8:28:10 UTC |
| Sent | 8 Apr 2026, 8:42:06 UTC |
| Report deadline | 13 Apr 2026, 8:42:06 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 | 3 min 36 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 | 224.21 MB |
| Peak swap size | 3.06 GB |
| Peak disk usage | 4.14 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>
10:52:50 (7144): wrapper (7.9.26016): starting
10:52:51 (7144): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A15_0.pdb
QB_A10_A15_0.xml
QB_A10_A15.inpcrd
QB_A10_A15_input.yaml
QB_A10_A15.pdb
QB_A10_A15.prmtop
QB_A10_A15_sys.xml
run.bat
run.sh
10:53:02 (7144): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:53:02 (7144): 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\14\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\14\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\14\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\14\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\14\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\14\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\14\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\14\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\14\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 3
10:53:43 (7144): C:/Windows/system32/cmd.exe exited; CPU time 15.515625
10:53:43 (7144): app exit status: 0x16
10:53:43 (7144): 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: 609579 bytes.
Dumping objects ->
{3836863} normal block at 0x000002C6BBAB6B20, 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 0x000002C6BBAB63B0, 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 0x000002C6BBAB6AB0, 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 0x000002C6BBAB61F0, 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 0x000002C6BBAB6C70, 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 0x000002C6BB9C97B0, 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 0x000002C6BB9CA2C0, 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 0x000002C6B9EF6EA0, 8 bytes long.
Data: < ë¹Æ > 00 00 EB B9 C6 02 00 00
{3835482} normal block at 0x000002C6BB9CAAE0, 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 0x000002C6B9EF63B0, 8 bytes long.
Data: <б »Æ > D0 B1 99 BB C6 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002C6B9EFF390, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002C6B9EE7400, 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 0x000002C6B9F00D80, 16 bytes long.
Data: <È ð¹Æ > C8 15 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002C6B9F006F0, 16 bytes long.
Data: <  ð¹Æ > A0 15 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002C6B9EF9380, 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 0x000002C6B9F00470, 16 bytes long.
Data: <x ð¹Æ > 78 15 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002C6B9F00420, 16 bytes long.
Data: <P ð¹Æ > 50 15 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002C6B9F00920, 16 bytes long.
Data: <( ð¹Æ > 28 15 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002C6B9F002E0, 16 bytes long.
Data: < ð¹Æ > 00 15 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C6B9EFB0C0, 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 0x000002C6B9F004C0, 16 bytes long.
Data: <(Pî¹Æ > 28 50 EE B9 C6 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C6B9EF9F20, 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 0x000002C6B9F003D0, 16 bytes long.
Data: < Pî¹Æ > 00 50 EE B9 C6 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C6B9F01230, 16 bytes long.
Data: <ØOî¹Æ > D8 4F EE B9 C6 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002C6B9F00DD0, 16 bytes long.
Data: <°Oî¹Æ > B0 4F EE B9 C6 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002C6B9F00830, 16 bytes long.
Data: < Oî¹Æ > 88 4F EE B9 C6 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002C6B9F00F10, 16 bytes long.
Data: <`Oî¹Æ > 60 4F EE B9 C6 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002C6B9F00650, 16 bytes long.
Data: <8Oî¹Æ > 38 4F EE B9 C6 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C6B9EF97A0, 32 bytes long.
Data: <CUDA_DEVICE=3 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 33 00 50 55
{275} normal block at 0x000002C6B9F00B50, 16 bytes long.
Data: < Oî¹Æ > 10 4F EE B9 C6 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C6B9EE4F10, 320 bytes long.
Data: <P ð¹Æ  —ï¹Æ > 50 0B F0 B9 C6 02 00 00 A0 97 EF B9 C6 02 00 00
{273} normal block at 0x000002C6B9F00C90, 16 bytes long.
Data: <à ð¹Æ > E0 14 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C6B9F00600, 16 bytes long.
Data: <¸ ð¹Æ > B8 14 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C6B9EF9440, 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 0x000002C6B9F00380, 16 bytes long.
Data: < ð¹Æ > 90 14 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C6B9EF9140, 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 0x000002C6B9F00D30, 16 bytes long.
Data: <Ø ð¹Æ > D8 13 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C6B9F01190, 16 bytes long.
Data: <° ð¹Æ > B0 13 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C6B9F00F60, 16 bytes long.
Data: < ð¹Æ > 88 13 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002C6B9F00EC0, 16 bytes long.
Data: <` ð¹Æ > 60 13 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002C6B9F01140, 16 bytes long.
Data: <8 ð¹Æ > 38 13 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002C6B9F010A0, 16 bytes long.
Data: < ð¹Æ > 10 13 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002C6B9F00330, 16 bytes long.
Data: < µï¹Æ > 20 B5 EF B9 C6 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002C6B9EFB520, 40 bytes long.
Data: <0 ð¹Æ °—œ»Æ > 30 03 F0 B9 C6 02 00 00 B0 97 9C BB C6 02 00 00
{259} normal block at 0x000002C6B9F005B0, 16 bytes long.
Data: <ð ð¹Æ > F0 12 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002C6B9F00A10, 16 bytes long.
Data: <È ð¹Æ > C8 12 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002C6B9EF9080, 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 0x000002C6B9F00E20, 16 bytes long.
Data: <  ð¹Æ > A0 12 F0 B9 C6 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002C6B9F012A0, 992 bytes long.
Data: < ð¹Æ ï¹Æ > 20 0E F0 B9 C6 02 00 00 80 90 EF B9 C6 02 00 00
{91} normal block at 0x000002C6B9EF9620, 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 0x000002C6B9EF71C0, 16 bytes long.
Data: <гï¹Æ > D0 B3 EF B9 C6 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002C6B9EFB3D0, 40 bytes long.
Data: <Àqï¹Æ –ï¹Æ > C0 71 EF B9 C6 02 00 00 20 96 EF B9 C6 02 00 00
{68} normal block at 0x000002C6B9EF6BD0, 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 0x000002C6B9EF6680, 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 0x000002C6B9EF6DB0, 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 0x000002C6B9EF6540, 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 0x000002C6B9EF7170, 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 0x000002C6B9EF70D0, 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 0x000002C6B9EF6630, 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 0x000002C6B9EF64A0, 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 0x000002C6B9EF65E0, 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 0x000002C6B9EF6590, 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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