Task 38597940
| Name | PTP1B_A11_A19_r0_5-QUICO_ATM_GAFF2_NAGL_PTP1B-0-6-RND0254_1 |
| Workunit | 31553568 |
| Created | 8 Apr 2026, 8:30:50 UTC |
| Sent | 8 Apr 2026, 8:38:30 UTC |
| Report deadline | 13 Apr 2026, 8:38:30 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 56 sec |
| CPU time | 18 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 | 432.01 MB |
| Peak swap size | 3.27 GB |
| Peak disk usage | 4.13 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>
10:47:53 (9648): wrapper (7.9.26016): starting
10:47:55 (9648): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A19_0.pdb
QB_A11_A19_0.xml
QB_A11_A19.inpcrd
QB_A11_A19_input.yaml
QB_A11_A19.pdb
QB_A11_A19.prmtop
QB_A11_A19_sys.xml
run.bat
run.sh
10:47:58 (9648): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:47:58 (9648): 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\16\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\16\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\16\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\16\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\16\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\16\Lib\site-packages\atom_openmm\ommworker.py", line 444, in start_worker
self._openmm_worker_makecontext()
File "C:\ProgramData\BOINC\slots\16\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\16\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\16\Lib\site-packages\openmm\openmm.py", line 5082, in __init__
_openmm.Context_swiginit(self, _openmm.new_Context(*args))
^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Illegal value for DeviceIndex: 5
10:48:47 (9648): C:/Windows/system32/cmd.exe exited; CPU time 18.765625
10:48:47 (9648): app exit status: 0x16
10:48:47 (9648): 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: 623735 bytes.
Dumping objects ->
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{3836852} normal block at 0x0000027F126B28D0, 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 0x0000027F126B2400, 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 0x0000027F126B2B70, 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 0x0000027F126B2630, 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 0x0000027F127C97B0, 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 0x0000027F126B66C0, 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 0x0000027F10CF6B80, 8 bytes long.
Data: < l > 00 00 6C 12 7F 02 00 00
{3835482} normal block at 0x0000027F126B65F0, 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 0x0000027F10CF6720, 8 bytes long.
Data: <ðãk > F0 E3 6B 12 7F 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000027F10CFF230, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027F10CFA700, 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 0x0000027F10D00780, 16 bytes long.
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Data: <À Ð > C0 14 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
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{288} normal block at 0x0000027F10D001E0, 16 bytes long.
Data: <H Ð > 48 14 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027F10D00460, 16 bytes long.
Data: < Ð > 20 14 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027F10CFB3D0, 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 0x0000027F10D00A00, 16 bytes long.
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{284} normal block at 0x0000027F10CF8DE0, 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 0x0000027F10D00320, 16 bytes long.
Data: <p¦Ï > 70 A6 CF 10 7F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027F10D006E0, 16 bytes long.
Data: <H¦Ï > 48 A6 CF 10 7F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027F10D008C0, 16 bytes long.
Data: < ¦Ï > 20 A6 CF 10 7F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027F10D00D20, 16 bytes long.
Data: <ø¥Ï > F8 A5 CF 10 7F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027F10D007D0, 16 bytes long.
Data: <Ð¥Ï > D0 A5 CF 10 7F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027F10D00870, 16 bytes long.
Data: <¨¥Ï > A8 A5 CF 10 7F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027F10CF90E0, 32 bytes long.
Data: <CUDA_DEVICE=5 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 35 00 50 55
{275} normal block at 0x0000027F10D00A50, 16 bytes long.
Data: < ¥Ï > 80 A5 CF 10 7F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027F10CFA580, 320 bytes long.
Data: <P Ð à Ï > 50 0A D0 10 7F 02 00 00 E0 90 CF 10 7F 02 00 00
{273} normal block at 0x0000027F10D009B0, 16 bytes long.
Data: < Ð > 00 14 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027F10D00C80, 16 bytes long.
Data: <Ø Ð > D8 13 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027F10CF9B00, 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 0x0000027F10D00410, 16 bytes long.
Data: <° Ð > B0 13 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027F10CF93E0, 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 0x0000027F10D00820, 16 bytes long.
Data: <ø Ð > F8 12 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027F10D00640, 16 bytes long.
Data: <Ð Ð > D0 12 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027F10D00BE0, 16 bytes long.
Data: <¨ Ð > A8 12 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027F10D00B90, 16 bytes long.
Data: < Ð > 80 12 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027F10D00960, 16 bytes long.
Data: <X Ð > 58 12 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027F10D00690, 16 bytes long.
Data: <0 Ð > 30 12 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027F10D00F50, 16 bytes long.
Data: <À°Ï > C0 B0 CF 10 7F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027F10CFB0C0, 40 bytes long.
Data: <P Ð °—| > 50 0F D0 10 7F 02 00 00 B0 97 7C 12 7F 02 00 00
{259} normal block at 0x0000027F10D00CD0, 16 bytes long.
Data: < Ð > 10 12 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027F10D00AF0, 16 bytes long.
Data: <è Ð > E8 11 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027F10CF9860, 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 0x0000027F10D005F0, 16 bytes long.
Data: <À Ð > C0 11 D0 10 7F 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027F10D011C0, 992 bytes long.
Data: <ð Ð ` Ï > F0 05 D0 10 7F 02 00 00 60 98 CF 10 7F 02 00 00
{91} normal block at 0x0000027F10CF98C0, 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 0x0000027F10CF6220, 16 bytes long.
Data: <à¯Ï > E0 AF CF 10 7F 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000027F10CFAFE0, 40 bytes long.
Data: < bÏ À Ï > 20 62 CF 10 7F 02 00 00 C0 98 CF 10 7F 02 00 00
{68} normal block at 0x0000027F10CF6D60, 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 0x0000027F10CF6310, 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 0x0000027F10CF63B0, 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 0x0000027F10CF62C0, 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 0x0000027F10CF6A40, 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 0x0000027F10CF6400, 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 0x0000027F10CF6770, 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 0x0000027F10CF61D0, 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 0x0000027F10CF66D0, 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 0x0000027F10CF65E0, 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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