Workunit 31559453

name BACE_A28_A05_r0_3-QUICO_ATM_GAFF2_NAGL_BACE-2-6-RND9352
application ATM: Free energy calculations of protein-ligand binding
created 13 Apr 2026, 21:57:19 UTC
canonical result 38605619
granted credit 750,000.00
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
Task
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38605593 651983 13 Apr 2026, 21:57:27 UTC 13 Apr 2026, 22:33:00 UTC Error while computing 64.41 11.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38605616 628942 13 Apr 2026, 22:33:13 UTC 13 Apr 2026, 22:34:45 UTC Abandoned 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38605619 603128 13 Apr 2026, 22:34:54 UTC 14 Apr 2026, 7:56:43 UTC Completed and validated 30,291.54 23,345.13 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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