Workunit 31589653

name shp2_A12_A02_r0_5-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND5050
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:38:31 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
errors Too many errors (may have bug)
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38643032 644117 7 May 2026, 10:38:38 UTC 7 May 2026, 11:06:45 UTC Error while computing 1,131.48 1,039.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643197 638094 7 May 2026, 11:06:52 UTC 7 May 2026, 12:13:39 UTC Error while computing 275.38 229.13 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643312 477993 7 May 2026, 12:13:43 UTC 7 May 2026, 18:59:18 UTC Error while computing 5,139.16 4,431.88 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643765 628467 7 May 2026, 18:59:25 UTC 7 May 2026, 21:33:34 UTC Error while computing 8,165.78 8,123.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643858 629467 7 May 2026, 21:33:36 UTC 7 May 2026, 22:42:50 UTC Error while computing 3,641.93 3,216.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643911 643237 7 May 2026, 22:42:56 UTC 7 May 2026, 22:45:56 UTC Error while computing 66.24 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643913 651346 7 May 2026, 22:46:00 UTC 8 May 2026, 5:22:48 UTC Error while computing 1,761.15 1,566.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644133 637171 8 May 2026, 5:22:56 UTC 8 May 2026, 14:10:53 UTC Error while computing 20,833.15 20,833.15 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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