Task 38664130

Name	test_36-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND6403_0
Workunit	31607303
Created	24 Oct 2026, 23:14:11 UTC
Sent	24 Oct 2026, 23:14:16 UTC
Report deadline	29 Oct 2026, 23:14:16 UTC
Received	25 Oct 2026, 2:10:05 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED
Computer ID	609955
Run time	1 hours 35 min
CPU time	1 hours 29 min 47 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	22,590.50 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	756.19 MB
Peak swap size	9.94 GB
Peak disk usage	3.99 GB

Stderr output

<core_client_version>8.2.4</core_client_version> <![CDATA[ <message> exceeded elapsed time limit 5699.10 (10000000000.00G/1754662.43G)</message> <stderr_txt> 09:39:36 (4392): wrapper (7.9.26016): starting 09:39:36 (4392): 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 09:39:38 (4392): Library/usr/bin/tar.exe exited; CPU time 0.000000 09:39:38 (4392): 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 'D:\BOINC\slots\20\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 'D:\BOINC\slots\20\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) : {3835489} normal block at 0x000002554BD2F570, 8 bytes long. Data: < -LU > 00 00 2D 4C 55 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3834068} normal block at 0x000002554BD34B60, 1080 bytes long. Data: < ` > E8 84 00 00 CD CD CD CD 60 03 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002554BD27550, 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> ]]>