Workunit 31585950

name shp2_A08_A02_r0_2-QUICO_ATM_GAFF2_NAGL_shp2-1-6-RND8785
application ATM: Free energy calculations of protein-ligand binding
created 30 Apr 2026, 0:46:30 UTC
canonical result 38640723
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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StatusRun time
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CPU time
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CreditApplication
38638078 527233 30 Apr 2026, 0:46:39 UTC 30 Apr 2026, 0:53:23 UTC Error while computing 54.64 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38638087 651831 30 Apr 2026, 0:53:28 UTC 1 May 2026, 20:27:33 UTC Aborted 16,957.39 16,136.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38640723 648916 1 May 2026, 20:27:42 UTC 3 May 2026, 10:27:17 UTC Completed and validated 37,199.22 37,199.22 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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