Workunit 31589629

name shp2_A08_A13_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4538
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:36:19 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
38643008 614877 7 May 2026, 10:36:26 UTC 7 May 2026, 18:05:00 UTC Error while computing 791.27 691.22 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643724 616686 7 May 2026, 18:05:09 UTC 7 May 2026, 18:35:23 UTC Error while computing 137.81 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643754 649650 7 May 2026, 18:35:33 UTC 8 May 2026, 1:04:22 UTC Error while computing 1,798.69 1,798.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644009 558169 8 May 2026, 1:04:28 UTC 8 May 2026, 1:13:41 UTC Error while computing 441.74 376.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644014 618719 8 May 2026, 1:13:49 UTC 8 May 2026, 3:01:36 UTC Error while computing 2,743.23 2,242.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644077 651345 8 May 2026, 3:01:44 UTC 8 May 2026, 6:23:05 UTC Error while computing 182.60 144.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644160 630161 8 May 2026, 6:23:10 UTC 8 May 2026, 6:40:16 UTC Error while computing 913.01 851.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644173 613630 8 May 2026, 6:40:25 UTC 8 May 2026, 6:50:31 UTC Error while computing 274.02 180.19 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2026 Universitat Pompeu Fabra