Workunit 31583467

name p38_3_A08_A31_r0_4-QUICO_ATM_OpenFF_NAGL_p38_3-0-6-RND0516
application ATM: Free energy calculations of protein-ligand binding
created 28 Apr 2026, 12:48:17 UTC
canonical result 38636634
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
(sec)
CreditApplication
38634991 651551 28 Apr 2026, 12:50:23 UTC 28 Apr 2026, 22:08:32 UTC Error while computing 9,160.79 8,648.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38636031 610880 28 Apr 2026, 22:08:41 UTC 29 Apr 2026, 8:28:15 UTC Aborted 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38636634 637595 29 Apr 2026, 8:28:24 UTC 29 Apr 2026, 16:20:08 UTC Completed and validated 8,801.45 8,801.45 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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