Task 38665995

Name	test_892-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4343_0
Workunit	31609029
Created	25 Oct 2026, 1:53:59 UTC
Sent	25 Oct 2026, 3:37:49 UTC
Report deadline	30 Oct 2026, 3:37:49 UTC
Received	25 Oct 2026, 11:21:46 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED
Computer ID	654134
Run time	7 hours 18 min 8 sec
CPU time	7 hours 1 min 55 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	13,827.62 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	568.47 MB
Peak swap size	6.90 GB
Peak disk usage	2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version> <![CDATA[ <message> exceeded elapsed time limit 26287.14 (10000000000.00G/380414.10G)</message> <stderr_txt> 22:03:10 (7200): wrapper (7.9.26016): starting 22:03:10 (7200): 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 22:03:13 (7200): Library/usr/bin/tar.exe exited; CPU time 0.000000 22:03:13 (7200): 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) : {3835402} normal block at 0x0000020AF603D990, 8 bytes long. Data: < I > 00 00 49 F6 0A 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000020AF7D356D0, 1080 bytes long. Data: < y > 80 79 00 00 CD CD CD CD FC 03 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020AF60423F0, 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> ]]>