Workunit 31545030

name JNK1_A19_A34_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND8768
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:14:43 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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38579679 642936 11 Dec 2025, 13:14:48 UTC 11 Dec 2025, 14:24:01 UTC Error while computing 98.79 20.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580264 632144 11 Dec 2025, 14:24:05 UTC 11 Dec 2025, 14:27:31 UTC Error while computing 66.60 1.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580326 629115 11 Dec 2025, 14:27:34 UTC 13 Dec 2025, 12:12:18 UTC Error while computing 119.42 15.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582803 598759 13 Dec 2025, 12:12:30 UTC 13 Dec 2025, 12:20:43 UTC Error while computing 79.25 17.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582812 595996 13 Dec 2025, 12:20:48 UTC 13 Dec 2025, 12:24:37 UTC Error while computing 108.47 17.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582816 635604 13 Dec 2025, 12:24:50 UTC 13 Dec 2025, 19:21:20 UTC Error while computing 79.25 28.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38583102 627279 13 Dec 2025, 19:21:26 UTC 13 Dec 2025, 19:27:02 UTC Error while computing 230.95 37.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38583105 648095 13 Dec 2025, 19:27:06 UTC 14 Dec 2025, 4:29:02 UTC Error while computing 153.11 28.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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