Workunit 31545013

name JNK1_A14_A09_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND4462
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:13:02 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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CreditApplication
38579659 596137 11 Dec 2025, 13:13:12 UTC 11 Dec 2025, 13:22:14 UTC Error while computing 151.35 18.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579823 640745 11 Dec 2025, 13:22:22 UTC 11 Dec 2025, 14:25:48 UTC Error while computing 421.88 58.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580299 637171 11 Dec 2025, 14:25:54 UTC 11 Dec 2025, 14:40:07 UTC Error while computing 47.71 5.57 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580447 648004 11 Dec 2025, 14:40:16 UTC 11 Dec 2025, 14:55:02 UTC Error while computing 63.76 21.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580461 647743 11 Dec 2025, 14:55:11 UTC 11 Dec 2025, 16:59:31 UTC Error while computing 413.90 97.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580700 647736 11 Dec 2025, 16:59:37 UTC 13 Dec 2025, 15:40:26 UTC Error while computing 41.36 3.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582949 631829 13 Dec 2025, 15:40:37 UTC 13 Dec 2025, 17:01:41 UTC Error while computing 138.09 16.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583004 550227 13 Dec 2025, 17:01:51 UTC 14 Dec 2025, 11:29:25 UTC Error while computing 276.62 30.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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