Workunit 31545080

name JNK1_A25_A31_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND0465
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:19:22 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
errors Too many errors (may have bug)
Task
click for details
ComputerSentTime reported
or deadline
explain
StatusRun time
(sec)
CPU time
(sec)
CreditApplication
38579764 627682 11 Dec 2025, 13:19:27 UTC 11 Dec 2025, 13:26:20 UTC Error while computing 94.02 12.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579892 627058 11 Dec 2025, 13:26:24 UTC 11 Dec 2025, 13:33:06 UTC Error while computing 258.29 28.67 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579962 630557 11 Dec 2025, 13:33:13 UTC 11 Dec 2025, 14:46:01 UTC Error while computing 78.52 7.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580452 400693 11 Dec 2025, 14:46:10 UTC 11 Dec 2025, 15:42:40 UTC Error while computing 368.36 43.73 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580500 628018 11 Dec 2025, 15:42:47 UTC 11 Dec 2025, 16:24:40 UTC Error while computing 195.35 22.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580667 549890 11 Dec 2025, 16:24:48 UTC 11 Dec 2025, 16:32:20 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580690 619419 11 Dec 2025, 16:32:25 UTC 11 Dec 2025, 16:40:40 UTC Error while computing 225.54 52.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580692 527233 11 Dec 2025, 16:40:43 UTC 11 Dec 2025, 16:49:31 UTC Error while computing 105.24 26.61 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580698 640316 11 Dec 2025, 16:49:37 UTC 11 Dec 2025, 16:56:13 UTC Error while computing 125.19 16.98 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2025 Universitat Pompeu Fabra