Workunit 31545067

name JNK1_A24_A14_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND8153
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:18:12 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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38579739 619098 11 Dec 2025, 13:18:17 UTC 11 Dec 2025, 13:27:38 UTC Error while computing 95.05 17.60 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579908 643097 11 Dec 2025, 13:27:43 UTC 11 Dec 2025, 13:33:10 UTC Error while computing 70.34 3.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579963 647736 11 Dec 2025, 13:33:19 UTC 11 Dec 2025, 13:36:18 UTC Error while computing 42.17 2.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579994 611154 11 Dec 2025, 13:36:28 UTC 11 Dec 2025, 13:41:18 UTC Error while computing 63.00 5.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580029 637171 11 Dec 2025, 13:41:32 UTC 11 Dec 2025, 13:43:18 UTC Error while computing 43.91 1.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580042 621753 11 Dec 2025, 13:43:29 UTC 11 Dec 2025, 13:57:14 UTC Error while computing 140.08 7.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580138 642593 11 Dec 2025, 13:57:19 UTC 14 Dec 2025, 18:46:01 UTC Error while computing 99.02 13.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583825 609323 14 Dec 2025, 18:46:10 UTC 14 Dec 2025, 18:55:56 UTC Error while computing 89.63 33.96 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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