Workunit 31585188

name tnks2_A02_A18_r0_4-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND6994
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:18:42 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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CreditApplication
38637113 618567 29 Apr 2026, 14:19:49 UTC 29 Apr 2026, 14:25:04 UTC Error while computing 188.27 61.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637225 602586 29 Apr 2026, 14:29:17 UTC 29 Apr 2026, 14:37:05 UTC Error while computing 321.04 251.10 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637300 514581 29 Apr 2026, 14:37:22 UTC 29 Apr 2026, 20:25:21 UTC Error while computing 120.23 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637762 627850 29 Apr 2026, 20:25:29 UTC 30 Apr 2026, 14:18:02 UTC Error while computing 252.42 163.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38639082 617939 30 Apr 2026, 14:18:15 UTC 1 May 2026, 15:21:45 UTC Error while computing 193.76 182.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38640499 627499 1 May 2026, 15:22:03 UTC 1 May 2026, 15:26:53 UTC Error while computing 202.18 102.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38640504 628374 1 May 2026, 15:27:08 UTC 1 May 2026, 15:29:31 UTC Error while computing 39.15 10.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38640505 638259 1 May 2026, 15:29:44 UTC 1 May 2026, 15:41:48 UTC Error while computing 610.85 416.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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