Task 38644618

Name	shp2_A25_A16_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8192_6
Workunit	31589758
Created	9 May 2026, 1:46:56 UTC
Sent	9 May 2026, 1:47:01 UTC
Report deadline	14 May 2026, 1:47:01 UTC
Received	9 May 2026, 1:47:58 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	648092
Run time	2 sec
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	35,706.26 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	10.56 MB
Peak swap size	5.17 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> 20:47:38 (12732): wrapper (7.9.26016): starting 20:47:38 (12732): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A25_A16_0.pdb QB_A25_A16_0.xml QB_A25_A16.inpcrd QB_A25_A16_input.yaml QB_A25_A16.pdb QB_A25_A16.prmtop QB_A25_A16_sys.xml run.bat run.sh 20:47:39 (12732): Library/usr/bin/tar.exe exited; CPU time 0.000000 20:47:39 (12732): 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 0x00000185FB8EDD10, 8 bytes long. Data: < > 00 00 D1 FB 85 01 00 00 ..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x00000185FB8F4290, 1080 bytes long. Data: < 1 > 9C 31 00 00 CD CD CD CD 80 03 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000185FB8E1280, 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> ]]>