Workunit 31585342

name tnks2_A26_A08_r0_2-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND7565
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:27:41 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
38637272 558169 29 Apr 2026, 14:29:35 UTC 29 Apr 2026, 14:36:05 UTC Error while computing 134.36 40.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637299 638919 29 Apr 2026, 14:36:14 UTC 29 Apr 2026, 14:41:09 UTC Error while computing 74.93 51.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637306 163955 29 Apr 2026, 14:41:19 UTC 30 Apr 2026, 8:40:28 UTC Error while computing 67.00 26.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638631 618802 30 Apr 2026, 8:40:39 UTC 1 May 2026, 2:26:52 UTC Error while computing 52.38 31.01 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38639849 650983 1 May 2026, 2:27:01 UTC 1 May 2026, 3:29:55 UTC Error while computing 49.42 18.93 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38639889 642071 1 May 2026, 3:30:10 UTC 1 May 2026, 4:29:14 UTC Error while computing 274.93 154.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38639948 623554 1 May 2026, 4:29:32 UTC 1 May 2026, 4:33:53 UTC Error while computing 64.80 20.12 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38639959 637595 1 May 2026, 4:34:03 UTC 1 May 2026, 11:56:05 UTC Error while computing 583.28 583.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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