Workunit 31589693

name shp2_A20_A09_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5018
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:42:33 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
38643075 623367 7 May 2026, 10:42:39 UTC 7 May 2026, 15:20:25 UTC Error while computing 3,939.43 3,843.41 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643527 645162 7 May 2026, 15:20:34 UTC 7 May 2026, 15:25:22 UTC Error while computing 189.37 161.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643534 628467 7 May 2026, 15:25:48 UTC 7 May 2026, 17:17:47 UTC Error while computing 1,987.90 1,792.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643672 600116 7 May 2026, 17:17:51 UTC 7 May 2026, 17:55:39 UTC Error while computing 634.39 446.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643713 604846 7 May 2026, 17:55:48 UTC 8 May 2026, 5:26:08 UTC Error while computing 449.03 345.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644134 649098 8 May 2026, 5:26:15 UTC 8 May 2026, 5:31:05 UTC Error while computing 178.32 106.56 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644137 549890 8 May 2026, 5:31:17 UTC 8 May 2026, 5:42:42 UTC Error while computing 185.90 160.32 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644141 633620 8 May 2026, 5:42:50 UTC 11 May 2026, 8:15:40 UTC Error while computing 654.86 593.16 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


©2026 Universitat Pompeu Fabra