Task 38643221

Name	shp2_A09_A08_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4270_2
Workunit	31589635
Created	7 May 2026, 11:18:12 UTC
Sent	7 May 2026, 11:18:18 UTC
Report deadline	12 May 2026, 11:18:18 UTC
Received	8 May 2026, 9:30:59 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	194 (0x000000C2) EXIT_ABORTED_BY_CLIENT
Computer ID	646146
Run time	2 min 36 sec
CPU time	1 min 27 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	1,134.37 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	868.23 MB
Peak swap size	6.77 GB
Peak disk usage	2.81 GB

Stderr output

<core_client_version>8.2.4</core_client_version> <![CDATA[ <message> Das Betriebssystem kann (null) nicht ausf�hren. (0xc2) - exit code 194 (0xc2)</message> <stderr_txt> 13:19:24 (25228): wrapper (7.9.26016): starting 13:19:24 (25228): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A09_A08_0.pdb QB_A09_A08_0.xml QB_A09_A08.inpcrd QB_A09_A08_input.yaml QB_A09_A08.pdb QB_A09_A08.prmtop QB_A09_A08_sys.xml run.bat run.sh 13:19:41 (25228): Library/usr/bin/tar.exe exited; CPU time 0.203125 13:19:41 (25228): 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\1\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\1\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. Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {3835100} normal block at 0x000001E96789D970, 8 bytes long. Data: < g > 00 00 DD 67 E9 01 00 00 ..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000001E96788D730, 1080 bytes long. Data: <T9 > 54 39 00 00 CD CD CD CD F0 01 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E967890DA0, 260 bytes long. Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 Object dump complete. 11:26:22 (6828): wrapper (7.9.26016): starting 11:26:22 (6828): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat) Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\1\tmp" existiert bereits. Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. </stderr_txt> ]]>