Workunit 31545054

name JNK1_A20_A30_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND2486
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:17:01 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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38579719 595174 11 Dec 2025, 13:17:07 UTC 11 Dec 2025, 13:24:50 UTC Error while computing 44.40 10.85 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579865 619341 11 Dec 2025, 13:24:52 UTC 11 Dec 2025, 13:35:30 UTC Error while computing 355.41 67.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579986 611154 11 Dec 2025, 13:35:37 UTC 11 Dec 2025, 13:40:44 UTC Error while computing 63.08 1.79 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580024 646980 11 Dec 2025, 13:40:55 UTC 11 Dec 2025, 13:47:33 UTC Error while computing 118.16 3.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580081 550807 11 Dec 2025, 13:47:44 UTC 11 Dec 2025, 14:04:52 UTC Error while computing 188.41 29.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580178 618719 11 Dec 2025, 14:04:58 UTC 11 Dec 2025, 14:11:53 UTC Error while computing 334.54 32.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580211 637595 11 Dec 2025, 14:12:03 UTC 11 Dec 2025, 14:14:06 UTC Error while computing 47.47 6.65 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580223 635604 11 Dec 2025, 14:14:09 UTC 11 Dec 2025, 14:15:40 UTC Error while computing 67.56 21.26 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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