Workunit 31545101

name JNK1_A28_A21_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND7702
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:21:17 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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38579801 611154 11 Dec 2025, 13:21:25 UTC 11 Dec 2025, 13:23:44 UTC Error while computing 61.04 6.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579856 484079 11 Dec 2025, 13:23:48 UTC 11 Dec 2025, 13:44:45 UTC Error while computing 227.39 17.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580057 637171 11 Dec 2025, 13:44:53 UTC 11 Dec 2025, 13:46:52 UTC Error while computing 47.81 7.54 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580074 643181 11 Dec 2025, 13:46:58 UTC 11 Dec 2025, 13:50:07 UTC Error while computing 81.55 11.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580099 503617 11 Dec 2025, 13:50:13 UTC 11 Dec 2025, 13:52:14 UTC Error while computing 82.22 23.85 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580112 627682 11 Dec 2025, 13:52:26 UTC 11 Dec 2025, 13:55:46 UTC Error while computing 91.93 4.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580131 618719 11 Dec 2025, 13:55:55 UTC 11 Dec 2025, 14:02:35 UTC Error while computing 320.89 40.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580165 595174 11 Dec 2025, 14:02:46 UTC 11 Dec 2025, 14:05:47 UTC Error while computing 43.34 1.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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