Workunit 31585185

name tnks2_A02_A18_r0_1-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND7556
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:18:33 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
38637110 629236 29 Apr 2026, 14:22:22 UTC 29 Apr 2026, 15:31:09 UTC Error while computing 376.41 376.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637384 613742 29 Apr 2026, 15:31:18 UTC 30 Apr 2026, 0:52:08 UTC Error while computing 93.60 62.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638086 648126 30 Apr 2026, 0:52:23 UTC 30 Apr 2026, 13:33:39 UTC Error while computing 68.47 41.99 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38639015 561721 30 Apr 2026, 13:33:46 UTC 30 Apr 2026, 15:57:33 UTC Error while computing 690.13 522.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38639201 563109 30 Apr 2026, 15:58:02 UTC 1 May 2026, 9:59:26 UTC Error while computing 653.93 524.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38640222 630408 1 May 2026, 9:59:38 UTC 1 May 2026, 10:20:27 UTC Error while computing 274.27 179.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38640233 641051 1 May 2026, 10:20:32 UTC 1 May 2026, 12:56:49 UTC Error while computing 374.52 263.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38640377 651330 1 May 2026, 12:56:51 UTC 1 May 2026, 19:09:12 UTC Error while computing 69.08 57.04 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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