Workunit 31577385

name cdk8_A25_A18_r0_3-QUICO_ATM_GAFF2_NAGL_cdk8-0-6-RND1866
application ATM: Free energy calculations of protein-ligand binding
created 24 Apr 2026, 11:50:27 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
Task
click for details
ComputerSentTime reported
or deadline
explain
StatusRun time
(sec)
CPU time
(sec)
CreditApplication
38627398 643237 24 Apr 2026, 11:56:27 UTC 24 Apr 2026, 12:14:19 UTC Error while computing 61.63 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38627539 640476 24 Apr 2026, 12:19:45 UTC 24 Apr 2026, 12:24:51 UTC Error while computing 42.95 8.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38627582 651931 24 Apr 2026, 12:24:58 UTC 24 Apr 2026, 12:36:56 UTC Error while computing 115.28 4.50 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38627630 619891 24 Apr 2026, 12:38:01 UTC 24 Apr 2026, 23:09:14 UTC Error while computing 107.40 24.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38628906 650005 24 Apr 2026, 23:09:22 UTC 25 Apr 2026, 1:06:45 UTC Error while computing 62.42 16.49 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38629108 637595 25 Apr 2026, 1:06:56 UTC 25 Apr 2026, 5:32:03 UTC Error while computing 36.82 0.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38629567 642144 25 Apr 2026, 5:32:08 UTC 25 Apr 2026, 5:40:57 UTC Error while computing 65.49 13.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38629587 602271 25 Apr 2026, 5:41:06 UTC 30 Apr 2026, 5:41:06 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2026 Universitat Pompeu Fabra