Task 38665419

Name	test_606-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND9330_0
Workunit	31608517
Created	25 Oct 2026, 1:05:29 UTC
Sent	25 Oct 2026, 1:07:44 UTC
Report deadline	30 Oct 2026, 1:07:44 UTC
Received	26 Oct 2026, 11:39:46 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED
Computer ID	654840
Run time	16 hours 24 min 49 sec
CPU time	13 hours 22 min 58 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	6,029.85 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	751.20 MB
Peak swap size	8.40 GB
Peak disk usage	3.56 GB

Stderr output

<core_client_version>8.2.11</core_client_version> <![CDATA[ <message> exceeded elapsed time limit 59087.87 (10000000000.00G/169239.46G)</message> <stderr_txt> 14:16:02 (41520): wrapper (7.9.26016): starting 14:16:02 (41520): 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 14:16:03 (41520): Library/usr/bin/tar.exe exited; CPU time 0.000000 14:16:03 (41520): 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) : {3835397} normal block at 0x0000028292399850, 8 bytes long. Data: < v > 00 00 76 92 82 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833948} normal block at 0x00000282923CC950, 1080 bytes long. Data: <` > 60 00 01 00 CD CD CD CD F8 02 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000028292395040, 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> ]]>