Workunit 31575191

name cdk8_A07_A15_r0_3-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND3125
application ATM: Free energy calculations of protein-ligand binding
created 23 Apr 2026, 8:39:37 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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38624851 646098 23 Apr 2026, 8:39:49 UTC 23 Apr 2026, 8:46:37 UTC Error while computing 300.32 205.86 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38624921 651352 23 Apr 2026, 8:46:41 UTC 23 Apr 2026, 19:02:30 UTC Error while computing 57.51 16.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38625531 651330 23 Apr 2026, 19:02:41 UTC 23 Apr 2026, 21:05:07 UTC Error while computing 47.94 23.01 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38625622 629236 23 Apr 2026, 21:05:13 UTC 23 Apr 2026, 22:39:06 UTC Error while computing 181.99 143.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38625684 651828 23 Apr 2026, 22:39:19 UTC 23 Apr 2026, 22:55:06 UTC Error while computing 273.12 174.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38625704 649814 23 Apr 2026, 22:55:14 UTC 24 Apr 2026, 1:03:56 UTC Error while computing 111.72 70.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38625779 651854 24 Apr 2026, 1:04:07 UTC 24 Apr 2026, 1:08:14 UTC Error while computing 124.52 40.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38625780 651954 24 Apr 2026, 1:08:23 UTC 24 Apr 2026, 1:11:41 UTC Error while computing 72.31 43.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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