Workunit 31577234

name cdk8_A07_A15_r0_2-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND6475
application ATM: Free energy calculations of protein-ligand binding
created 24 Apr 2026, 11:36:20 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
38627229 616757 24 Apr 2026, 12:03:09 UTC 24 Apr 2026, 12:12:48 UTC Error while computing 478.54 421.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38627530 643237 24 Apr 2026, 12:14:19 UTC 24 Apr 2026, 12:26:53 UTC Error while computing 61.67 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38627591 621314 24 Apr 2026, 12:28:15 UTC 24 Apr 2026, 13:32:36 UTC Error while computing 273.91 106.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38627823 610640 24 Apr 2026, 13:32:48 UTC 24 Apr 2026, 13:35:42 UTC Error while computing 83.48 61.15 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38627831 644626 24 Apr 2026, 13:35:47 UTC 24 Apr 2026, 17:26:15 UTC Error while computing 125.56 52.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38628280 652241 24 Apr 2026, 17:26:33 UTC 24 Apr 2026, 17:31:13 UTC Error while computing 182.64 170.04 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38628293 505468 24 Apr 2026, 17:31:22 UTC 25 Apr 2026, 7:42:44 UTC Error while computing 289.70 226.48 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38629807 599714 25 Apr 2026, 7:42:53 UTC 25 Apr 2026, 7:47:25 UTC Error while computing 163.40 3.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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