Workunit 31577795

name cdk8_A11_A26_r0_3-QUICO_ATM_OpenFF23_NAGL_cdk8-1-6-RND7716
application ATM: Free energy calculations of protein-ligand binding
created 24 Apr 2026, 15:43:12 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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38628078 627437 24 Apr 2026, 15:43:48 UTC 24 Apr 2026, 15:47:02 UTC Error while computing 94.46 28.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38628083 641876 24 Apr 2026, 15:47:26 UTC 24 Apr 2026, 15:51:41 UTC Error while computing 142.71 46.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38628093 642764 24 Apr 2026, 15:52:01 UTC 24 Apr 2026, 15:58:02 UTC Error while computing 66.08 14.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38628108 571271 24 Apr 2026, 15:58:12 UTC 24 Apr 2026, 16:53:49 UTC Error while computing 289.84 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38628208 524922 24 Apr 2026, 16:54:10 UTC 24 Apr 2026, 16:57:04 UTC Error while computing 55.27 13.57 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38628218 637164 24 Apr 2026, 16:57:33 UTC 25 Apr 2026, 0:32:14 UTC Error while computing 66.28 8.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38629037 610900 25 Apr 2026, 0:32:27 UTC 25 Apr 2026, 7:10:42 UTC Error while computing 128.02 24.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38629745 649987 25 Apr 2026, 7:10:54 UTC 25 Apr 2026, 18:51:33 UTC Error while computing 45.66 17.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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