Task 38582669

Name	HIF2A_A30_A19_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND0257_0
Workunit	31546946
Created	13 Dec 2025, 9:21:28 UTC
Sent	13 Dec 2025, 9:21:34 UTC
Report deadline	18 Dec 2025, 9:21:34 UTC
Received	14 Dec 2025, 8:04:09 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	627682
Run time	26 sec
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	57,422.49 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	10.99 MB
Peak swap size	5.31 MB
Peak disk usage	1.54 GB

Stderr output

<core_client_version>8.2.8</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 09:04:06 (15188): wrapper (7.9.26016): starting 09:04:06 (15188): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A30_A19_0.pdb QB_A30_A19_0.xml QB_A30_A19_equil.pdb QB_A30_A19.inpcrd QB_A30_A19_input.yaml QB_A30_A19_mdlambda.pdb QB_A30_A19_min.pdb QB_A30_A19_npt.pdb QB_A30_A19.pdb QB_A30_A19.prmtop QB_A30_A19_sys.xml QB_A30_A19_therm.pdb run.bat run.sh 09:04:07 (15188): Library/usr/bin/tar.exe exited; CPU time 0.000000 09:04:07 (15188): 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) : {3835224} normal block at 0x00000200AE6FCEF0, 8 bytes long. Data: < l > 00 00 6C AE 00 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x00000200B01CDFB0, 1080 bytes long. Data: < > > 18 3E 00 00 CD CD CD CD BC 01 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000200AE6F1C80, 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> ]]>