Workunit 31553067

name MCL1_A27_A40_r0_1-QUICO_ATM_GAFF2_NAGL_MCL1-0-6-RND7327
application ATM: Free energy calculations of protein-ligand binding
created 8 Apr 2026, 7:42:52 UTC
canonical result 38598644
granted credit 750,000.00
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
38597152 643393 8 Apr 2026, 7:54:34 UTC 8 Apr 2026, 8:16:43 UTC Error while computing 193.33 7.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38597880 593958 8 Apr 2026, 9:04:24 UTC 8 Apr 2026, 9:07:27 UTC Error while computing 95.06 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598218 598432 8 Apr 2026, 9:15:46 UTC 8 Apr 2026, 9:23:06 UTC Error while computing 89.15 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598313 442069 8 Apr 2026, 9:35:46 UTC 8 Apr 2026, 9:39:02 UTC Error while computing 72.52 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598387 649693 8 Apr 2026, 9:39:43 UTC 8 Apr 2026, 9:59:02 UTC Error while computing 61.85 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598476 565740 8 Apr 2026, 9:59:19 UTC 8 Apr 2026, 10:52:11 UTC Error while computing 105.15 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598644 648094 8 Apr 2026, 10:52:21 UTC 8 Apr 2026, 20:56:38 UTC Completed and validated 15,057.97 12,719.88 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2026 Universitat Pompeu Fabra