Workunit 31575183

name cdk8_A06_A26_r0_5-QUICO_ATM_OpenFF23_NAGL_cdk8-0-6-RND4461
application ATM: Free energy calculations of protein-ligand binding
created 23 Apr 2026, 8:38:35 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
38624839 639498 23 Apr 2026, 8:38:43 UTC 23 Apr 2026, 19:32:19 UTC Error while computing 197.05 31.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38625552 503617 23 Apr 2026, 19:32:26 UTC 25 Apr 2026, 16:59:00 UTC Error while computing 83.52 18.62 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38630855 652211 25 Apr 2026, 16:59:09 UTC 27 Apr 2026, 1:08:12 UTC Error while computing 789.97 18.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38633285 646562 27 Apr 2026, 1:08:21 UTC 27 Apr 2026, 1:43:22 UTC Error while computing 70.75 12.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38633315 400693 27 Apr 2026, 1:43:31 UTC 30 Apr 2026, 3:04:24 UTC Error while computing 349.03 42.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638214 561721 30 Apr 2026, 3:04:45 UTC 30 Apr 2026, 3:08:42 UTC Error while computing 150.42 16.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638222 646690 30 Apr 2026, 3:08:56 UTC 30 Apr 2026, 3:11:36 UTC Error while computing 76.78 13.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638225 592673 30 Apr 2026, 3:11:46 UTC 1 May 2026, 1:08:03 UTC Error while computing 227.74 31.30 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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