Workunit 31589727

name shp2_A21_A06_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4936
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:45:53 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
38643111 644442 7 May 2026, 10:45:58 UTC 7 May 2026, 12:35:46 UTC Error while computing 307.71 264.99 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643336 640564 7 May 2026, 12:35:54 UTC 7 May 2026, 12:53:31 UTC Error while computing 370.84 370.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643359 637595 7 May 2026, 12:54:05 UTC 7 May 2026, 15:01:58 UTC Error while computing 106.15 93.23 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643506 626902 7 May 2026, 15:02:08 UTC 7 May 2026, 15:22:09 UTC Error while computing 806.42 755.62 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643528 568641 7 May 2026, 15:22:18 UTC 7 May 2026, 15:48:45 UTC Error while computing 737.09 737.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643579 651509 7 May 2026, 15:48:58 UTC 7 May 2026, 15:54:48 UTC Error while computing 254.95 133.58 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643590 549890 7 May 2026, 15:54:58 UTC 7 May 2026, 16:06:12 UTC Error while computing 208.84 196.44 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643600 648578 7 May 2026, 16:06:24 UTC 7 May 2026, 16:11:31 UTC Error while computing 217.53 154.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


©2026 Universitat Pompeu Fabra