Task 38644693

Name	shp2_A16_A13_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9321_7
Workunit	31589670
Created	9 May 2026, 7:20:28 UTC
Sent	9 May 2026, 7:20:32 UTC
Report deadline	14 May 2026, 7:20:32 UTC
Received	9 May 2026, 7:21:24 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	7 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	10.75 MB
Peak swap size	5.73 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> 02:21:10 (13204): wrapper (7.9.26016): starting 02:21:10 (13204): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A16_A13_0.pdb QB_A16_A13_0.xml QB_A16_A13.inpcrd QB_A16_A13_input.yaml QB_A16_A13.pdb QB_A16_A13.prmtop QB_A16_A13_sys.xml run.bat run.sh 02:21:11 (13204): Library/usr/bin/tar.exe exited; CPU time 0.015625 02:21:11 (13204): 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 0x0000024CA4B7E6F0, 8 bytes long. Data: < L > 00 00 16 A5 4C 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x0000024CA4B6D4B0, 1080 bytes long. Data: << < > 3C 18 00 00 CD CD CD CD 3C 03 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000024CA4B71C90, 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> ]]>