Workunit 31545108

name JNK1_A30_A37_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND5998
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:21:55 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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38579815 642268 11 Dec 2025, 13:21:57 UTC 11 Dec 2025, 13:25:10 UTC Error while computing 86.52 6.95 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579877 596137 11 Dec 2025, 13:25:14 UTC 11 Dec 2025, 13:35:01 UTC Error while computing 153.33 15.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579981 633196 11 Dec 2025, 13:35:09 UTC 11 Dec 2025, 13:51:24 UTC Error while computing 94.55 23.95 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580104 637171 11 Dec 2025, 13:51:35 UTC 11 Dec 2025, 13:55:43 UTC Error while computing 43.99 1.49 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580129 595174 11 Dec 2025, 13:55:48 UTC 11 Dec 2025, 14:04:47 UTC Error while computing 45.88 10.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580177 549890 11 Dec 2025, 14:04:58 UTC 11 Dec 2025, 14:07:23 UTC Error while computing 85.77 28.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580187 642029 11 Dec 2025, 14:07:31 UTC 11 Dec 2025, 14:10:43 UTC Error while computing 89.62 3.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580205 644265 11 Dec 2025, 14:10:50 UTC 11 Dec 2025, 14:14:26 UTC Error while computing 117.93 13.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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