Task 38644913

Name	shp2_A12_A26_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9987_8
Workunit	31589661
Created	10 May 2026, 13:50:21 UTC
Sent	10 May 2026, 13:50:25 UTC
Report deadline	15 May 2026, 13:50:25 UTC
Received	10 May 2026, 13:51:20 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	651346
Run time	15 sec
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	29,331.45 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	10.77 MB
Peak swap size	5.21 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> 08:51:01 (14056): wrapper (7.9.26016): starting 08:51:01 (14056): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A12_A26_0.pdb QB_A12_A26_0.xml QB_A12_A26.inpcrd QB_A12_A26_input.yaml QB_A12_A26.pdb QB_A12_A26.prmtop QB_A12_A26_sys.xml run.bat run.sh 08:51:02 (14056): Library/usr/bin/tar.exe exited; CPU time 0.000000 08:51:02 (14056): 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) : {3835476} normal block at 0x0000020C24BCCD70, 8 bytes long. Data: < $ > 00 00 B8 24 0C 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x0000020C24BBD410, 1080 bytes long. Data: < | > F4 1A 00 00 CD CD CD CD 7C 02 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000020C24BC1700, 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> ]]>