Task 38580311

Name	JNK1_A19_A34_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND0423_0
Workunit	31545161
Created	11 Dec 2025, 14:26:23 UTC
Sent	11 Dec 2025, 14:26:27 UTC
Report deadline	16 Dec 2025, 14:26:27 UTC
Received	11 Dec 2025, 16:27:37 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	637171
Run time	17 sec
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	53,462.25 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) x86_64-pc-linux-gnu
Peak working set size	5.25 MB
Peak swap size	13.53 MB
Peak disk usage	1.66 GB

Stderr output

<core_client_version>8.2.8</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 2025-12-11 17:26:49 (894205): wrapper (8.1.26018): starting 2025-12-11 17:27:08 (894205): wrapper: running bin/python (bin/conda-unpack) 2025-12-11 17:27:08 (894205): wrapper: created child process 894230 2025-12-11 17:27:09 (894205): bin/python exited; CPU time 0.086910 2025-12-11 17:27:09 (894205): wrapper: running bin/tar (xjvf input.tar.bz2) 2025-12-11 17:27:09 (894205): wrapper: created child process 894232 </stderr_txt> ]]>