Workunit 31585341

name tnks2_A26_A08_r0_1-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND5771
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:27:37 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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38637271 638645 29 Apr 2026, 14:28:11 UTC 30 Apr 2026, 1:24:35 UTC Error while computing 224.80 113.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638125 651976 30 Apr 2026, 1:24:42 UTC 30 Apr 2026, 20:26:47 UTC Error while computing 94.94 38.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38639500 623554 30 Apr 2026, 20:26:54 UTC 30 Apr 2026, 20:31:52 UTC Error while computing 106.36 61.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38639510 605111 30 Apr 2026, 20:32:09 UTC 30 Apr 2026, 20:35:57 UTC Error while computing 83.41 31.46 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38639514 637595 30 Apr 2026, 20:36:06 UTC 1 May 2026, 3:10:03 UTC Error while computing 209.13 209.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38639882 650211 1 May 2026, 3:10:07 UTC 1 May 2026, 7:58:06 UTC Error while computing 26.77 10.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38640117 163955 1 May 2026, 7:58:22 UTC 1 May 2026, 13:42:25 UTC Error while computing 52.73 5.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38640420 651977 1 May 2026, 13:42:38 UTC 2 May 2026, 6:39:47 UTC Error while computing 107.28 30.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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