Task 38644890

Name	shp2_A08_A02_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5754_6
Workunit	31589624
Created	10 May 2026, 9:41:49 UTC
Sent	10 May 2026, 9:41:50 UTC
Report deadline	15 May 2026, 9:41:50 UTC
Received	10 May 2026, 9:42:45 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	649650
Run time	20 sec
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	29,154.93 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	10.74 MB
Peak swap size	5.18 MB
Peak disk usage	1.52 GB

Stderr output

<core_client_version>8.2.9</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 04:42:29 (16900): wrapper (7.9.26016): starting 04:42:29 (16900): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A08_A02_0.pdb QB_A08_A02_0.xml QB_A08_A02.inpcrd QB_A08_A02_input.yaml QB_A08_A02.pdb QB_A08_A02.prmtop Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {3835478} normal block at 0x000001E3CB5ECCD0, 8 bytes long. Data: < > 00 00 9F CB E3 01 00 00 ..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001E3CB5DD4B0, 1080 bytes long. Data: <|> > 7C 3E 00 00 CD CD CD CD 90 02 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001E3CB5E19B0, 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> ]]>