Workunit 31549837

name p38_A17_A12_r0_1-QUICO_ATM_GAFF2_LOMAP_P38_2-0-6-RND3432
application ATM: Free energy calculations of protein-ligand binding
created 13 Jan 2026, 9:03:50 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
Task
click for details
ComputerSentTime reported
or deadline
explain
StatusRun time
(sec)
CPU time
(sec)
CreditApplication
38588397 593958 13 Jan 2026, 9:03:54 UTC 13 Jan 2026, 9:11:10 UTC Error while computing 102.24 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38588520 549890 13 Jan 2026, 9:11:16 UTC 13 Jan 2026, 12:37:15 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38588681 648916 13 Jan 2026, 12:37:56 UTC 13 Jan 2026, 12:43:13 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38588713 648237 13 Jan 2026, 12:43:21 UTC 20 Jan 2026, 3:10:45 UTC Error while computing 43,259.40 39,804.64 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38591468 630621 18 Jan 2026, 12:43:38 UTC 23 Jan 2026, 7:17:01 UTC Error while computing 107,644.02 106,973.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38593032 429496 23 Jan 2026, 7:17:07 UTC 23 Jan 2026, 7:27:27 UTC Error while computing 87.16 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38593037 648089 23 Jan 2026, 7:27:32 UTC 23 Jan 2026, 7:28:25 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38593038 609605 23 Jan 2026, 7:28:32 UTC 28 Jan 2026, 7:28:32 UTC In progress --- --- --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2026 Universitat Pompeu Fabra