Workunit 31589709

name shp2_A20_A15_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7799
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:44:21 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
38643092 624761 7 May 2026, 10:44:30 UTC 7 May 2026, 11:30:32 UTC Error while computing 2,631.52 2,454.79 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643243 506008 7 May 2026, 11:30:40 UTC 7 May 2026, 15:09:24 UTC Error while computing 11,335.36 8,715.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643516 550864 7 May 2026, 15:09:46 UTC 7 May 2026, 16:40:58 UTC Error while computing 5,331.28 5,184.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643636 626010 7 May 2026, 16:41:11 UTC 7 May 2026, 17:33:37 UTC Error while computing 2,836.06 2,816.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643688 651330 7 May 2026, 17:33:41 UTC 7 May 2026, 21:19:19 UTC Error while computing 564.37 564.37 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643852 628466 7 May 2026, 21:19:23 UTC 7 May 2026, 22:41:31 UTC Error while computing 2,553.10 1,915.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643910 632253 7 May 2026, 22:41:33 UTC 8 May 2026, 0:33:09 UTC Error while computing 89.05 70.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643984 640529 8 May 2026, 0:33:20 UTC 8 May 2026, 3:28:09 UTC Error while computing 10,420.52 10,420.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2026 Universitat Pompeu Fabra