Workunit 31545114

name JNK1_A31_A38_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND8987
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:22:27 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
38579828 611154 11 Dec 2025, 13:22:32 UTC 11 Dec 2025, 13:26:01 UTC Error while computing 59.90 7.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38579888 642752 11 Dec 2025, 13:26:02 UTC 11 Dec 2025, 14:03:20 UTC Error while computing 181.32 18.89 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580166 598690 11 Dec 2025, 14:03:30 UTC 11 Dec 2025, 14:07:05 UTC Error while computing 114.04 16.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580184 644265 11 Dec 2025, 14:07:08 UTC 11 Dec 2025, 14:10:33 UTC Error while computing 116.79 13.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580202 637469 11 Dec 2025, 14:10:38 UTC 11 Dec 2025, 14:13:43 UTC Error while computing 62.65 5.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580222 630710 11 Dec 2025, 14:13:49 UTC 11 Dec 2025, 15:10:14 UTC Error while computing 213.89 18.66 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580476 635604 11 Dec 2025, 15:10:28 UTC 11 Dec 2025, 15:13:26 UTC Error while computing 60.94 11.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580480 593284 11 Dec 2025, 15:13:37 UTC 11 Dec 2025, 15:16:53 UTC Error while computing 56.36 6.90 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


©2025 Universitat Pompeu Fabra