Task 38645887

Name	test_12-GPUGRID_TEST_ATM_1000_20261023-0-1-RND9677_0
Workunit	31590849
Created	23 Oct 2026, 16:17:44 UTC
Sent	23 Oct 2026, 16:57:55 UTC
Report deadline	28 Oct 2026, 16:57:55 UTC
Received	26 Oct 2026, 12:06:11 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	517019
Run time	11 min 4 sec
CPU time	5 min 22 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	5,579.29 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	676.52 MB
Peak swap size	3.70 GB
Peak disk usage	4.38 GB

Stderr output

<core_client_version>7.16.20</core_client_version> <![CDATA[ <message> (unknown error) - exit code 195 (0xc3)</message> <stderr_txt> 01:59:16 (25328): wrapper (7.9.26016): starting 01:59:16 (25328): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A34_A12_0.pdb QB_A34_A12_0.xml QB_A34_A12_input.yaml QB_A34_A12.pdb QB_A34_A12.prmtop QB_A34_A12_sys.xml run.bat run.sh 01:59:18 (25328): Library/usr/bin/tar.exe exited; CPU time 0.000000 01:59:18 (25328): 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 'E:\boinc\slots\5\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 'E:\boinc\slots\5\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> ]]>