Task 38665304

Name	test_573-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND7269_0
Workunit	31608411
Created	25 Oct 2026, 1:00:46 UTC
Sent	25 Oct 2026, 1:03:06 UTC
Report deadline	30 Oct 2026, 1:03:06 UTC
Received	25 Oct 2026, 18:27:23 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED
Computer ID	654843
Run time	6 hours 20 min 49 sec
CPU time	5 hours 27 min 58 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	29,325.87 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	655.33 MB
Peak swap size	1.62 GB
Peak disk usage	2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version> <![CDATA[ <message> exceeded elapsed time limit 22848.17 (10000000000.00G/437671.78G)</message> <stderr_txt> 13:44:24 (1164): wrapper (7.9.26016): starting 13:44:24 (1164): 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 13:44:26 (1164): Library/usr/bin/tar.exe exited; CPU time 0.000000 13:44:26 (1164): 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:\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 'D:\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) : {3835140} normal block at 0x000001D9F0F06110, 8 bytes long. Data: < > 00 00 E8 F0 D9 01 00 00 ..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000001D9F2AE9920, 1080 bytes long. Data: < > E8 0E 00 00 CD CD CD CD BC 02 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001D9F0F0F8D0, 260 bytes long. Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 Object dump complete. 15:39:29 (8112): wrapper (7.9.26016): starting 15:39:29 (8112): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat) A subdirectory or file D:\ProgramData\BOINC\slots\1\tmp already exists. Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {1493} normal block at 0x0000028FFDFA09D0, 8 bytes long. Data: < > 00 00 F2 FD 8F 02 00 00 ..\lib\diagnostics_win.cpp(417) : {297} normal block at 0x0000028FFDFA2F30, 1080 bytes long. Data: < D > E8 0D 00 00 CD CD CD CD 44 01 00 00 00 00 00 00 Object dump complete. </stderr_txt> ]]>