Task 38664366

Name	test_126-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND9485_0
Workunit	31607524
Created	24 Oct 2026, 23:31:57 UTC
Sent	24 Oct 2026, 23:32:03 UTC
Report deadline	29 Oct 2026, 23:32:03 UTC
Received	26 Oct 2026, 0:05:19 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED
Computer ID	599144
Run time	12 hours 58 min 41 sec
CPU time	11 hours 23 min 58 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	10,947.62 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	705.04 MB
Peak swap size	6.89 GB
Peak disk usage	2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version> <![CDATA[ <message> exceeded elapsed time limit 46719.31 (10000000000.00G/214044.25G)</message> <stderr_txt> 20:36:14 (11924): wrapper (7.9.26016): starting 20:36:15 (11924): 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 20:36:19 (11924): Library/usr/bin/tar.exe exited; CPU time 0.046875 20:36:19 (11924): 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\13\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\13\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) : {3835355} normal block at 0x000002072B19F120, 8 bytes long. Data: < f+ > 00 00 66 2B 07 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000002072B18DFC0, 1080 bytes long. Data: <pl L > 70 6C 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002072B196E30, 260 bytes long. Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 Object dump complete. 10:19:27 (2688): wrapper (7.9.26016): starting 10:19:27 (2688): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat) A subdirectory or file C:\ProgramData\BOINC\slots\13\tmp already exists. Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {1696} normal block at 0x0000019956386560, 8 bytes long. Data: < V > 00 00 8C 56 99 01 00 00 ..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000019956387300, 1080 bytes long. Data: < n H > A0 6E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 Object dump complete. </stderr_txt> ]]>