Workunit 31545106

name JNK1_A30_A37_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND4367
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:21:44 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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38579812 521288 11 Dec 2025, 13:21:48 UTC 11 Dec 2025, 13:25:10 UTC Error while computing 82.31 11.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579876 637171 11 Dec 2025, 13:25:13 UTC 11 Dec 2025, 13:31:23 UTC Error while computing 42.14 1.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579948 639495 11 Dec 2025, 13:31:33 UTC 11 Dec 2025, 13:35:30 UTC Error while computing 134.27 17.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579987 611154 11 Dec 2025, 13:35:37 UTC 11 Dec 2025, 13:40:11 UTC Error while computing 69.91 7.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580017 594224 11 Dec 2025, 13:40:18 UTC 11 Dec 2025, 13:44:44 UTC Error while computing 225.84 24.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580054 618719 11 Dec 2025, 13:44:52 UTC 11 Dec 2025, 13:51:57 UTC Error while computing 335.38 37.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580110 585156 11 Dec 2025, 13:52:03 UTC 11 Dec 2025, 13:55:28 UTC Error while computing 127.55 12.83 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580126 596137 11 Dec 2025, 13:55:38 UTC 11 Dec 2025, 14:06:18 UTC Error while computing 147.85 21.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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