Task 38644956

Name	shp2_A22_A13_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND3723_9
Workunit	31589749
Created	10 May 2026, 22:10:47 UTC
Sent	10 May 2026, 22:10:50 UTC
Report deadline	15 May 2026, 22:10:50 UTC
Received	10 May 2026, 22:11:44 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	651345
Run time	20 sec
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	36,135.86 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	11.58 MB
Peak swap size	5.23 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> 17:11:28 (5392): wrapper (7.9.26016): starting 17:11:28 (5392): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A22_A13_0.pdb QB_A22_A13_0.xml QB_A22_A13.inpcrd QB_A22_A13_input.yaml QB_A22_A13.pdb QB_A22_A13.prmtop QB_A22_A13_sys.xml run.bat run.sh 17:11:29 (5392): Library/usr/bin/tar.exe exited; CPU time 0.000000 17:11:29 (5392): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat) Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {3835478} normal block at 0x000001A7D630E200, 8 bytes long. Data: < ' > 00 00 27 D6 A7 01 00 00 ..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001A7D7E8E940, 1080 bytes long. Data: < ? > 84 3F 00 00 CD CD CD CD A8 02 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001A7D62FD8C0, 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> ]]>