Task 38670481

Name	test_390-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4595_0
Workunit	31612728
Created	25 Oct 2026, 17:39:50 UTC
Sent	25 Oct 2026, 17:39:55 UTC
Report deadline	30 Oct 2026, 17:39:55 UTC
Received	25 Oct 2026, 19:36:01 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED
Computer ID	641615
Run time	1 hours 53 min
CPU time	1 hours 37 min 24 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	17,805.86 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	741.30 MB
Peak swap size	12.93 GB
Peak disk usage	4.06 GB

Stderr output

<core_client_version>8.2.4</core_client_version> <![CDATA[ <message> exceeded elapsed time limit 6777.78 (10000000000.00G/1475408.41G)</message> <stderr_txt> 02:52:56 (34512): wrapper (7.9.26016): starting 02:52:56 (34512): 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 02:53:04 (34512): Library/usr/bin/tar.exe exited; CPU time 0.015625 02:53:04 (34512): 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\0\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\0\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) : {3835253} normal block at 0x000001EEAC2E04B0, 8 bytes long. Data: < { > 00 00 7B AC EE 01 00 00 ..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x000001EEAC2CE040, 1080 bytes long. Data: < O D > D8 4F 00 00 CD CD CD CD 44 03 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001EEAC2D7300, 260 bytes long. Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 Object dump complete. </stderr_txt> ]]>