Workunit 31545027

name JNK1_A19_A34_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND7667
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:14:26 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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38579676 635604 11 Dec 2025, 13:14:34 UTC 11 Dec 2025, 13:16:58 UTC Error while computing 70.80 16.76 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579717 503617 11 Dec 2025, 13:17:11 UTC 11 Dec 2025, 13:24:13 UTC Error while computing 85.65 27.40 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579861 647450 11 Dec 2025, 13:24:17 UTC 11 Dec 2025, 14:12:31 UTC Error while computing 77.60 8.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580214 484079 11 Dec 2025, 14:12:39 UTC 11 Dec 2025, 14:27:00 UTC Error while computing 224.93 17.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580319 628372 11 Dec 2025, 14:27:07 UTC 11 Dec 2025, 14:35:10 UTC Error while computing 80.56 2.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580437 633620 11 Dec 2025, 14:35:21 UTC 13 Dec 2025, 21:23:17 UTC Error while computing 78.32 26.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583167 644680 13 Dec 2025, 21:23:24 UTC 13 Dec 2025, 21:51:21 UTC Error while computing 68.03 12.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583187 604216 13 Dec 2025, 21:51:31 UTC 13 Dec 2025, 23:09:21 UTC Error while computing 116.09 14.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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