Workunit 31545110

name JNK1_A30_A37_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND1453
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:22:06 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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38579818 631087 11 Dec 2025, 13:22:12 UTC 11 Dec 2025, 13:30:25 UTC Error while computing 228.00 3.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579938 596137 11 Dec 2025, 13:30:33 UTC 11 Dec 2025, 13:40:20 UTC Error while computing 153.33 20.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580020 503617 11 Dec 2025, 13:40:30 UTC 11 Dec 2025, 13:44:16 UTC Error while computing 92.24 26.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580050 637595 11 Dec 2025, 13:44:23 UTC 11 Dec 2025, 13:46:06 UTC Error while computing 50.85 16.01 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580067 523478 11 Dec 2025, 13:46:12 UTC 12 Dec 2025, 1:00:36 UTC Error while computing 242.24 53.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580845 635638 12 Dec 2025, 1:01:38 UTC 13 Dec 2025, 0:13:08 UTC Error while computing 104.62 19.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582249 590887 13 Dec 2025, 0:13:15 UTC 13 Dec 2025, 3:27:23 UTC Error while computing 311.62 18.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582387 518555 13 Dec 2025, 3:27:27 UTC 13 Dec 2025, 4:12:20 UTC Error while computing 172.62 15.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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