Workunit 31553481

name PTP1B_A04_A18_r0_3-QUICO_ATM_GAFF2_NAGL_PTP1B-0-6-RND3774
application ATM: Free energy calculations of protein-ligand binding
created 8 Apr 2026, 7:54:22 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
38597591 648465 8 Apr 2026, 8:21:33 UTC 8 Apr 2026, 8:26:07 UTC Error while computing 56.49 17.91 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38597924 643393 8 Apr 2026, 8:37:57 UTC 8 Apr 2026, 9:08:54 UTC Error while computing 239.47 25.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598245 619836 8 Apr 2026, 9:29:05 UTC 8 Apr 2026, 9:32:23 UTC Error while computing 77.66 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598361 489629 8 Apr 2026, 9:37:24 UTC 8 Apr 2026, 9:41:48 UTC Error while computing 152.39 0.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598402 617857 8 Apr 2026, 9:45:48 UTC 8 Apr 2026, 9:52:32 UTC Error while computing 127.06 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598447 610183 8 Apr 2026, 9:52:58 UTC 8 Apr 2026, 9:55:50 UTC Error while computing 34.28 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598462 593958 8 Apr 2026, 9:56:08 UTC 8 Apr 2026, 10:00:21 UTC Error while computing 95.12 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598486 642764 8 Apr 2026, 10:00:39 UTC 8 Apr 2026, 10:07:21 UTC Error while computing 47.59 2.46 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


©2026 Universitat Pompeu Fabra