Workunit 31545043

name JNK1_A20_A12_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND9904
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:15:57 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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38579697 637595 11 Dec 2025, 13:16:03 UTC 11 Dec 2025, 13:18:06 UTC Error while computing 47.38 5.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579737 637171 11 Dec 2025, 13:18:16 UTC 11 Dec 2025, 13:20:02 UTC Error while computing 44.04 1.65 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579774 642515 11 Dec 2025, 13:20:08 UTC 11 Dec 2025, 13:33:30 UTC Error while computing 64.70 21.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579967 611154 11 Dec 2025, 13:33:37 UTC 11 Dec 2025, 13:39:04 UTC Error while computing 61.98 3.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580011 503617 11 Dec 2025, 13:39:12 UTC 11 Dec 2025, 13:42:12 UTC Error while computing 82.51 25.32 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580031 616686 11 Dec 2025, 13:42:18 UTC 11 Dec 2025, 13:52:52 UTC Error while computing 89.80 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580114 642995 11 Dec 2025, 13:52:58 UTC 11 Dec 2025, 14:25:48 UTC Error while computing 233.14 30.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580300 596137 11 Dec 2025, 14:25:54 UTC 14 Dec 2025, 0:15:19 UTC Error while computing 147.11 21.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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