Workunit 31545082

name JNK1_A25_A38_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND8243
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:19:33 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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38579767 609638 11 Dec 2025, 13:19:39 UTC 11 Dec 2025, 13:44:19 UTC Error while computing 858.92 4.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580051 633478 11 Dec 2025, 13:44:30 UTC 11 Dec 2025, 13:51:04 UTC Error while computing 109.93 12.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580103 596137 11 Dec 2025, 13:51:13 UTC 11 Dec 2025, 13:58:21 UTC Error while computing 145.72 13.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580142 503617 11 Dec 2025, 13:58:28 UTC 11 Dec 2025, 14:00:28 UTC Error while computing 88.84 25.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580154 611154 11 Dec 2025, 14:00:34 UTC 11 Dec 2025, 14:02:18 UTC Error while computing 53.72 1.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580163 637171 11 Dec 2025, 14:02:27 UTC 11 Dec 2025, 14:04:30 UTC Error while computing 46.76 10.43 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580174 627256 11 Dec 2025, 14:04:34 UTC 11 Dec 2025, 14:11:59 UTC Error while computing 248.10 79.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580213 618719 11 Dec 2025, 14:12:05 UTC 11 Dec 2025, 14:18:53 UTC Error while computing 322.97 37.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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