Workunit 31545061

name JNK1_A21_A33_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND1303
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:17:40 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
38579730 484079 11 Dec 2025, 13:17:47 UTC 11 Dec 2025, 13:34:17 UTC Error while computing 262.66 18.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579974 637171 11 Dec 2025, 13:34:29 UTC 11 Dec 2025, 13:38:35 UTC Error while computing 45.88 10.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580010 635638 11 Dec 2025, 13:38:43 UTC 13 Dec 2025, 0:09:41 UTC Error while computing 177.65 10.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582243 615763 13 Dec 2025, 0:09:51 UTC 13 Dec 2025, 0:14:00 UTC Error while computing 160.77 19.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582251 602451 13 Dec 2025, 0:14:06 UTC 13 Dec 2025, 0:18:37 UTC Error while computing 271.00 3,252.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582254 635604 13 Dec 2025, 0:18:41 UTC 13 Dec 2025, 8:39:13 UTC Error while computing 75.95 20.12 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38582632 619953 13 Dec 2025, 8:39:20 UTC 13 Dec 2025, 8:44:38 UTC Error while computing 162.41 12.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38582637 644366 13 Dec 2025, 8:44:46 UTC 13 Dec 2025, 9:13:25 UTC Error while computing 183.65 12.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2025 Universitat Pompeu Fabra