Workunit 31589263

name BACE_A05_A06_r0_4-QUICO_ATM_OpenFF23_NAGL_BACE-5-6-RND1046
application ATM: Free energy calculations of protein-ligand binding
created 6 May 2026, 16:27:45 UTC
canonical result 38645023
granted credit 750,000.00
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
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38642565 637595 6 May 2026, 16:28:03 UTC 6 May 2026, 18:04:03 UTC Error while computing 1,982.63 1,982.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38642668 595174 6 May 2026, 18:04:08 UTC 11 May 2026, 18:04:24 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38645023 557889 11 May 2026, 18:04:17 UTC 12 May 2026, 3:00:11 UTC Completed and validated 22,796.61 22,508.76 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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