Workunit 31545040

name JNK1_A20_A05_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND5224
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:15:39 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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38579693 611154 11 Dec 2025, 13:15:47 UTC 11 Dec 2025, 13:17:28 UTC Error while computing 47.57 7.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579727 626244 11 Dec 2025, 13:17:36 UTC 11 Dec 2025, 13:21:16 UTC Error while computing 68.47 19.07 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579800 635604 11 Dec 2025, 13:21:26 UTC 11 Dec 2025, 13:22:57 UTC Error while computing 61.91 10.90 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579844 598690 11 Dec 2025, 13:23:03 UTC 11 Dec 2025, 13:26:50 UTC Error while computing 110.66 17.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579900 637826 11 Dec 2025, 13:26:59 UTC 11 Dec 2025, 13:31:18 UTC Error while computing 80.73 24.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579946 622673 11 Dec 2025, 13:31:27 UTC 12 Dec 2025, 12:00:11 UTC Error while computing 293.00 44.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38581650 642219 12 Dec 2025, 12:00:17 UTC 12 Dec 2025, 12:07:06 UTC Error while computing 40.26 3.87 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38581658 613032 12 Dec 2025, 12:07:16 UTC 12 Dec 2025, 12:15:23 UTC Error while computing 116.22 19.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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