Workunit 31545020

name JNK1_A16_A10_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND8180
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:13:47 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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38579667 635604 11 Dec 2025, 13:13:52 UTC 11 Dec 2025, 13:15:22 UTC Error while computing 66.59 20.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579689 647717 11 Dec 2025, 13:15:28 UTC 11 Dec 2025, 13:24:09 UTC Error while computing 150.05 25.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579859 503617 11 Dec 2025, 13:24:13 UTC 11 Dec 2025, 13:30:10 UTC Error while computing 88.75 26.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579935 595174 11 Dec 2025, 13:30:18 UTC 11 Dec 2025, 13:44:45 UTC Error while computing 46.24 1.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580055 637171 11 Dec 2025, 13:44:53 UTC 11 Dec 2025, 13:46:25 UTC Error while computing 45.96 10.94 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580069 644627 11 Dec 2025, 13:46:35 UTC 11 Dec 2025, 14:07:09 UTC Error while computing 219.63 10.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580185 628418 11 Dec 2025, 14:07:14 UTC 11 Dec 2025, 14:23:14 UTC Error while computing 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580252 646363 11 Dec 2025, 14:23:20 UTC 11 Dec 2025, 14:32:54 UTC Error while computing 124.07 27.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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