Workunit 31544995

name JNK1_A01_A04_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND2908
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:11:21 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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38579641 596137 11 Dec 2025, 13:11:27 UTC 11 Dec 2025, 13:16:57 UTC Error while computing 147.59 23.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579715 646901 11 Dec 2025, 13:17:10 UTC 11 Dec 2025, 13:51:49 UTC Error while computing 272.85 50.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580108 637171 11 Dec 2025, 13:52:02 UTC 11 Dec 2025, 13:58:48 UTC Error while computing 46.87 7.68 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580143 617107 11 Dec 2025, 13:58:53 UTC 11 Dec 2025, 14:10:10 UTC Error while computing 542.13 75.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580199 503617 11 Dec 2025, 14:10:14 UTC 11 Dec 2025, 14:15:14 UTC Error while computing 83.58 27.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580226 637469 11 Dec 2025, 14:15:19 UTC 11 Dec 2025, 14:19:45 UTC Error while computing 63.45 5.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580240 637617 11 Dec 2025, 14:19:49 UTC 11 Dec 2025, 14:24:30 UTC Error while computing 72.44 4.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580274 611154 11 Dec 2025, 14:24:37 UTC 11 Dec 2025, 14:32:53 UTC Error while computing 202.54 1.43 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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