Workunit 31545115

name JNK1_A31_A38_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND6819
application ATM: Free energy calculations of protein-ligand binding
created 11 Dec 2025, 13:22:33 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
38579835 627499 11 Dec 2025, 13:22:45 UTC 11 Dec 2025, 13:26:21 UTC Error while computing 136.73 12.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579894 457130 11 Dec 2025, 13:26:27 UTC 11 Dec 2025, 13:32:45 UTC Error while computing 154.08 15.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38579958 631624 11 Dec 2025, 13:32:52 UTC 11 Dec 2025, 14:06:57 UTC Error while computing 93.28 9.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580183 598690 11 Dec 2025, 14:07:05 UTC 11 Dec 2025, 14:10:15 UTC Error while computing 113.92 16.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580201 643181 11 Dec 2025, 14:10:18 UTC 11 Dec 2025, 14:13:33 UTC Error while computing 85.07 10.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580220 640153 11 Dec 2025, 14:13:39 UTC 11 Dec 2025, 14:25:23 UTC Error while computing 577.64 78.95 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38580291 637341 11 Dec 2025, 14:25:29 UTC 11 Dec 2025, 14:28:45 UTC Error while computing 104.98 22.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38580344 615074 11 Dec 2025, 14:28:55 UTC 11 Dec 2025, 14:55:21 UTC Error while computing 419.42 83.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2025 Universitat Pompeu Fabra