Workunit 31545086

name JNK1_A27_A37_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND1886
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:19:54 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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38579772 618719 11 Dec 2025, 13:20:01 UTC 11 Dec 2025, 13:27:00 UTC Error while computing 332.97 35.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579902 198644 11 Dec 2025, 13:27:04 UTC 11 Dec 2025, 13:32:22 UTC Error while computing 93.10 14.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579952 617107 11 Dec 2025, 13:32:33 UTC 11 Dec 2025, 13:43:03 UTC Error while computing 541.93 75.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580041 503617 11 Dec 2025, 13:43:12 UTC 11 Dec 2025, 13:47:12 UTC Error while computing 85.40 28.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580078 631502 11 Dec 2025, 13:47:18 UTC 11 Dec 2025, 13:52:47 UTC Error while computing 157.62 22.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580113 635604 11 Dec 2025, 13:52:54 UTC 11 Dec 2025, 13:55:14 UTC Error while computing 70.36 20.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580124 647736 11 Dec 2025, 13:55:19 UTC 11 Dec 2025, 14:05:22 UTC Error while computing 42.20 3.73 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580180 635638 11 Dec 2025, 14:05:29 UTC 13 Dec 2025, 0:11:20 UTC Error while computing 110.04 20.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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