Task 38583134

Name	JNK1_A14_A09_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-1-5-RND1125_1
Workunit	31547171
Created	13 Dec 2025, 20:09:34 UTC
Sent	13 Dec 2025, 20:09:38 UTC
Report deadline	18 Dec 2025, 20:09:38 UTC
Received	14 Dec 2025, 17:00:37 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	197 (0x000000C5) EXIT_TIME_LIMIT_EXCEEDED
Computer ID	558169
Run time	17 hours 12 min 15 sec
CPU time	13 hours 33 min 1 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	35,918.96 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	719.23 MB
Peak swap size	9.95 GB
Peak disk usage	3.19 GB

Stderr output

<core_client_version>8.2.8</core_client_version> <![CDATA[ <message> exceeded elapsed time limit 61934.10 (100000000000.00G/1614619.42G)</message> <stderr_txt> 00:47:24 (24776): wrapper (7.9.26016): starting 00:47:24 (24776): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A14_A09_0.pdb QB_A14_A09_0.xml QB_A14_A09_equil.pdb QB_A14_A09.inpcrd QB_A14_A09_input.yaml QB_A14_A09_mdlambda.pdb QB_A14_A09_min.pdb QB_A14_A09_npt.pdb QB_A14_A09_out_merged_nowater.pdb QB_A14_A09.pdb QB_A14_A09.prmtop QB_A14_A09_sys.xml QB_A14_A09_therm.pdb run.bat run.sh 00:47:26 (24776): Library/usr/bin/tar.exe exited; CPU time 0.000000 00:47:26 (24776): 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\25\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\25\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) : {3835398} normal block at 0x00000255FBA8D7C0, 8 bytes long. Data: < U > 00 00 A5 FB 55 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x00000255FBA7D920, 1080 bytes long. Data: < > 90 04 00 00 CD CD CD CD E0 01 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000255FBA80D20, 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> ]]>