Workunit 31589626

name shp2_A08_A02_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6485
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:35:55 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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38643005 573760 7 May 2026, 10:36:11 UTC 7 May 2026, 11:01:47 UTC Error while computing 1,388.56 1,271.75 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643183 550864 7 May 2026, 11:01:58 UTC 7 May 2026, 11:08:41 UTC Error while computing 233.58 184.36 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643201 631297 7 May 2026, 11:08:52 UTC 7 May 2026, 11:25:30 UTC Error while computing 903.97 823.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643234 547066 7 May 2026, 11:25:44 UTC 7 May 2026, 11:38:07 UTC Error while computing 356.94 289.55 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643255 549890 7 May 2026, 11:38:13 UTC 7 May 2026, 14:43:40 UTC Error while computing 160.35 139.87 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643477 637595 7 May 2026, 14:44:02 UTC 7 May 2026, 15:10:05 UTC Error while computing 167.49 164.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643518 618582 7 May 2026, 15:10:18 UTC 7 May 2026, 15:28:20 UTC Error while computing 215.03 120.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643539 640529 7 May 2026, 15:28:28 UTC 7 May 2026, 15:36:01 UTC Error while computing 361.79 310.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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