Workunit 31589674

name shp2_A17_A19_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6793
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:40:47 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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StatusRun time
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CreditApplication
38643055 648967 7 May 2026, 10:40:52 UTC 7 May 2026, 11:00:43 UTC Error while computing 1,094.79 1,024.38 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643182 650701 7 May 2026, 11:00:57 UTC 7 May 2026, 11:50:31 UTC Error while computing 2,804.06 2,547.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643280 573558 7 May 2026, 11:50:47 UTC 7 May 2026, 12:21:38 UTC Error while computing 1,733.31 1,652.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643321 630817 7 May 2026, 12:21:44 UTC 7 May 2026, 12:48:09 UTC Error while computing 1,492.14 1,344.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643353 523907 7 May 2026, 12:48:15 UTC 7 May 2026, 21:21:12 UTC Error while computing 13,040.45 12,843.45 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643855 549890 7 May 2026, 21:21:21 UTC 7 May 2026, 22:33:18 UTC Error while computing 2,904.52 2,904.52 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643904 651274 7 May 2026, 22:33:28 UTC 7 May 2026, 23:07:20 UTC Error while computing 1,627.77 1,484.28 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643925 649650 7 May 2026, 23:07:37 UTC 8 May 2026, 1:57:26 UTC Error while computing 3,201.79 3,067.47 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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