Task 38643199

Name	shp2_A14_A09_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3982_2
Workunit	31589665
Created	7 May 2026, 11:08:17 UTC
Sent	7 May 2026, 11:08:22 UTC
Report deadline	12 May 2026, 11:08:22 UTC
Received	7 May 2026, 11:17:44 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	194 (0x000000C2) EXIT_ABORTED_BY_CLIENT
Computer ID	648967
Run time	8 min 7 sec
CPU time	6 min 57 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	22,856.34 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	844.61 MB
Peak swap size	10.03 GB
Peak disk usage	2.81 GB

Stderr output

<core_client_version>8.2.8</core_client_version> <![CDATA[ <message> The operating system cannot run <sporadic_ac>. (0xc2) - exit code 194 (0xc2)</message> <stderr_txt> 05:09:31 (30988): wrapper (7.9.26016): starting 05:09:31 (30988): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A14_A09_0.pdb QB_A14_A09_0.xml QB_A14_A09.inpcrd QB_A14_A09_input.yaml QB_A14_A09.pdb QB_A14_A09.prmtop QB_A14_A09_sys.xml run.bat run.sh 05:09:33 (30988): Library/usr/bin/tar.exe exited; CPU time 0.015625 05:09:33 (30988): 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\24\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\24\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. </stderr_txt> ]]>