Workunit 31585288

name tnks2_A18_A26_r0_3-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND7305
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:24:30 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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38637215 618802 29 Apr 2026, 14:34:11 UTC 29 Apr 2026, 21:02:17 UTC Error while computing 190.37 171.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38637804 557889 29 Apr 2026, 21:02:31 UTC 1 May 2026, 1:40:59 UTC Error while computing 65.64 28.43 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38639806 549890 1 May 2026, 1:41:18 UTC 1 May 2026, 21:18:23 UTC Error while computing 133.52 109.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38640760 611154 1 May 2026, 21:18:34 UTC 2 May 2026, 2:55:57 UTC Error while computing 115.63 79.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38640978 639065 2 May 2026, 2:56:03 UTC 2 May 2026, 4:48:39 UTC Error while computing 121.67 64.18 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38641039 648916 2 May 2026, 4:48:47 UTC 3 May 2026, 9:52:45 UTC Error while computing 88.53 62.80 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38641835 651810 3 May 2026, 9:52:51 UTC 3 May 2026, 9:55:28 UTC Error while computing 79.76 23.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38641836 623170 3 May 2026, 9:55:37 UTC 3 May 2026, 9:58:30 UTC Error while computing 64.24 29.46 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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