Workunit 31589773

name shp2_A26_A23_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND0918
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:50:08 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
38643161 550955 7 May 2026, 10:50:17 UTC 7 May 2026, 11:02:31 UTC Error while computing 88.09 2.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643184 609629 7 May 2026, 11:02:51 UTC 7 May 2026, 16:45:04 UTC Error while computing 18,140.33 18,140.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643642 573558 7 May 2026, 16:45:10 UTC 7 May 2026, 16:49:48 UTC Error while computing 135.28 68.27 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643646 156955 7 May 2026, 16:49:55 UTC 7 May 2026, 19:40:40 UTC Error while computing 6,643.65 6,385.89 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643803 651330 7 May 2026, 19:40:50 UTC 7 May 2026, 22:15:58 UTC Error while computing 2,134.93 2,134.93 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643892 613630 7 May 2026, 22:16:03 UTC 8 May 2026, 1:34:32 UTC Error while computing 7,668.76 6,545.20 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644027 651963 8 May 2026, 1:34:48 UTC 8 May 2026, 3:38:33 UTC Error while computing 7,209.39 6,996.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644093 638898 8 May 2026, 3:38:38 UTC 8 May 2026, 3:56:53 UTC Error while computing 963.11 908.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2026 Universitat Pompeu Fabra