Workunit 31545064

name JNK1_A21_A33_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND3095
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:17:57 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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38579733 637595 11 Dec 2025, 13:18:06 UTC 11 Dec 2025, 13:20:06 UTC Error while computing 48.87 16.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579779 607149 11 Dec 2025, 13:20:18 UTC 11 Dec 2025, 13:38:30 UTC Error while computing 86.84 6.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580008 549890 11 Dec 2025, 13:38:39 UTC 11 Dec 2025, 13:40:58 UTC Error while computing 75.82 27.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580027 585156 11 Dec 2025, 13:41:10 UTC 11 Dec 2025, 13:46:36 UTC Error while computing 141.88 19.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580072 637469 11 Dec 2025, 13:46:43 UTC 11 Dec 2025, 13:51:26 UTC Error while computing 64.66 3.31 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580106 637171 11 Dec 2025, 13:51:35 UTC 11 Dec 2025, 13:56:10 UTC Error while computing 44.83 1.62 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580133 611154 11 Dec 2025, 13:56:19 UTC 11 Dec 2025, 13:58:52 UTC Error while computing 57.90 8.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580144 596137 11 Dec 2025, 13:59:02 UTC 11 Dec 2025, 14:08:20 UTC Error while computing 142.39 14.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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