Workunit 31545033

name JNK1_A20_A01_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND3962
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:15:00 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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38579682 637171 11 Dec 2025, 13:15:07 UTC 11 Dec 2025, 13:16:23 UTC Error while computing 46.91 12.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579706 611154 11 Dec 2025, 13:16:37 UTC 11 Dec 2025, 13:18:01 UTC Error while computing 49.66 6.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579735 604231 11 Dec 2025, 13:18:10 UTC 11 Dec 2025, 13:52:03 UTC Error while computing 97.27 12.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580111 635604 11 Dec 2025, 13:52:09 UTC 11 Dec 2025, 13:53:42 UTC Error while computing 62.45 11.65 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580119 596137 11 Dec 2025, 13:53:53 UTC 11 Dec 2025, 14:03:39 UTC Error while computing 151.31 18.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580169 615763 11 Dec 2025, 14:03:48 UTC 11 Dec 2025, 14:11:09 UTC Error while computing 150.09 20.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580206 503617 11 Dec 2025, 14:11:14 UTC 11 Dec 2025, 14:18:16 UTC Error while computing 85.38 17.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580236 637595 11 Dec 2025, 14:18:19 UTC 11 Dec 2025, 14:20:03 UTC Error while computing 50.59 5.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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