Workunit 31545010

name JNK1_A10_A05_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND4786
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:12:46 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
errors Too many errors (may have bug)
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38579656 611154 11 Dec 2025, 13:12:53 UTC 11 Dec 2025, 13:15:47 UTC Error while computing 47.60 6.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579695 637171 11 Dec 2025, 13:15:56 UTC 11 Dec 2025, 13:17:59 UTC Error while computing 48.83 10.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579734 637595 11 Dec 2025, 13:18:06 UTC 11 Dec 2025, 13:20:06 UTC Error while computing 46.48 6.68 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579777 596137 11 Dec 2025, 13:20:14 UTC 11 Dec 2025, 13:29:38 UTC Error while computing 149.05 19.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579929 628418 11 Dec 2025, 13:29:50 UTC 11 Dec 2025, 13:42:47 UTC Error while computing 208.71 5.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580037 627850 11 Dec 2025, 13:42:56 UTC 11 Dec 2025, 22:15:37 UTC Error while computing 281.59 32.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580781 565402 11 Dec 2025, 22:15:44 UTC 11 Dec 2025, 22:30:05 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580791 639495 11 Dec 2025, 22:30:09 UTC 11 Dec 2025, 22:47:39 UTC Error while computing 144.08 15.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580800 462662 11 Dec 2025, 22:47:45 UTC 11 Dec 2025, 22:50:42 UTC Error while computing 91.61 34.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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