Task 38665884

Name	test_826-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND0249_0
Workunit	31608929
Created	25 Oct 2026, 1:42:39 UTC
Sent	25 Oct 2026, 2:53:30 UTC
Report deadline	30 Oct 2026, 2:53:30 UTC
Received	25 Oct 2026, 4:54:24 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED
Computer ID	629480
Run time	1 hours 33 min 29 sec
CPU time	1 hours 32 min 32 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	749.57 MB
Peak swap size	9.91 GB
Peak disk usage	2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version> <![CDATA[ <message> exceeded elapsed time limit 5607.88 (10000000000.00G/1783203.50G)</message> <stderr_txt> 22:20:00 (29508): wrapper (7.9.26016): starting 22:20:00 (29508): 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 22:20:01 (29508): Library/usr/bin/tar.exe exited; CPU time 0.000000 22:20:01 (29508): 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\1\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\1\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) : {3835431} normal block at 0x000002887499EF40, 8 bytes long. Data: < u > 00 00 08 75 88 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000288749A4020, 1080 bytes long. Data: <$ ` > 24 B5 00 00 CD CD CD CD 60 03 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000288749A1050, 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> ]]>