Task 38679422

Name	test_43-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND1355_0
Workunit	31621198
Created	26 Oct 2026, 20:31:10 UTC
Sent	26 Oct 2026, 20:31:24 UTC
Report deadline	31 Oct 2026, 20:31:24 UTC
Received	27 Oct 2026, 7:31:26 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	652372
Run time	10 hours 56 min 1 sec
CPU time	10 hours 52 min 51 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	4,888.09 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	712.79 MB
Peak swap size	6.73 GB
Peak disk usage	3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 21:35:34 (1380): wrapper (7.9.26016): starting 21:35:34 (1380): 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 21:35:36 (1380): Library/usr/bin/tar.exe exited; CPU time 0.000000 21:35:36 (1380): 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\8\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\8\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) : {3835462} normal block at 0x000002047BDFF260, 8 bytes long. Data: < { > 00 00 DB 7B 04 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x000002047DAC4330, 1080 bytes long. Data: < ) 8 > 98 29 00 00 CD CD CD CD 38 01 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002047BE01000, 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> ]]>