Task 38687324

Name	test_835-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4916_0
Workunit	31628717
Created	28 Oct 2026, 7:10:27 UTC
Sent	28 Oct 2026, 7:10:29 UTC
Report deadline	2 Nov 2026, 7:10:29 UTC
Received	28 Oct 2026, 8:04:18 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	639329
Run time	11 min 4 sec
CPU time	9 min 24 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	4,534.80 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	697.42 MB
Peak swap size	9.71 GB
Peak disk usage	3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 08:51:00 (6880): wrapper (7.9.26016): starting 08:51:00 (6880): 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 08:51:01 (6880): Library/usr/bin/tar.exe exited; CPU time 0.000000 08:51:01 (6880): 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 'G:\Programme\BOINC\Data\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 'G:\Programme\BOINC\Data\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) : {3835529} normal block at 0x000001A2E2A7DDE0, 8 bytes long. Data: < > 00 00 FB E2 A2 01 00 00 ..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x000001A2E2A6D780, 1080 bytes long. Data: < t , > A8 74 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001A2E2A80080, 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> ]]>