Workunit 31589615

name shp2_A07_A06_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9135
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:34:55 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
38642994 550851 7 May 2026, 10:35:07 UTC 12 May 2026, 10:35:29 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645072 596137 12 May 2026, 10:35:12 UTC 12 May 2026, 10:46:07 UTC Error while computing 609.60 498.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645073 619022 12 May 2026, 10:46:10 UTC 12 May 2026, 11:31:09 UTC Error while computing 252.02 149.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645082 646098 12 May 2026, 11:31:13 UTC 12 May 2026, 11:38:07 UTC Error while computing 238.38 106.81 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645083 647736 12 May 2026, 11:38:12 UTC 12 May 2026, 19:31:57 UTC Error while computing 126.76 100.07 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38645102 503617 12 May 2026, 19:32:04 UTC 12 May 2026, 20:49:46 UTC Error while computing 104.75 47.72 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38645107 648153 12 May 2026, 20:49:58 UTC 12 May 2026, 20:55:28 UTC Error while computing 205.34 123.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645108 609406 12 May 2026, 20:55:34 UTC 12 May 2026, 21:11:27 UTC Error while computing 789.00 666.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2026 Universitat Pompeu Fabra