Workunit 31585345

name tnks2_A26_A08_r0_5-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND4801
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:27:49 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
38637275 648432 29 Apr 2026, 14:31:11 UTC 29 Apr 2026, 17:52:47 UTC Error while computing 115.23 39.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637557 609868 29 Apr 2026, 17:52:52 UTC 29 Apr 2026, 18:04:34 UTC Error while computing 532.92 3.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637575 645017 29 Apr 2026, 18:04:44 UTC 29 Apr 2026, 18:44:43 UTC Error while computing 464.64 382.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637633 649448 29 Apr 2026, 18:44:55 UTC 29 Apr 2026, 18:48:42 UTC Error while computing 127.96 37.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637641 163955 29 Apr 2026, 18:48:59 UTC 30 Apr 2026, 11:47:12 UTC Error while computing 53.73 15.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638868 610880 30 Apr 2026, 11:47:33 UTC 1 May 2026, 6:16:10 UTC Error while computing 549.26 440.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38640038 646239 1 May 2026, 6:16:21 UTC 1 May 2026, 6:22:01 UTC Error while computing 61.75 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38640044 620057 1 May 2026, 6:22:05 UTC 1 May 2026, 6:44:41 UTC Error while computing 438.62 294.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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