Task 38671761

Name	test_507-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND9731_0
Workunit	31613949
Created	25 Oct 2026, 21:29:32 UTC
Sent	25 Oct 2026, 21:29:42 UTC
Report deadline	30 Oct 2026, 21:29:42 UTC
Received	25 Oct 2026, 23:49:09 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	583658
Run time	8 min 29 sec
CPU time	6 min 23 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	4,419.60 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	699.84 MB
Peak swap size	3.70 GB
Peak disk usage	3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 19:31:11 (4584): wrapper (7.9.26016): starting 19:31:11 (4584): 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 19:31:13 (4584): Library/usr/bin/tar.exe exited; CPU time 0.000000 19:31:13 (4584): 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) : {3835226} normal block at 0x000001DA7E7572B0, 8 bytes long. Data: < ~ > 00 00 D9 7E DA 01 00 00 ..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000001DA7ED8C770, 1080 bytes long. Data: < X > B0 FD 00 00 CD CD CD CD 58 02 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001DA7E7611B0, 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> ]]>