Workunit 31589270

name shp2_A21_A06_r0_3-QUICO_ATM_GAFF2_NAGL_shp2-5-6-RND4629
application ATM: Free energy calculations of protein-ligand binding
created 6 May 2026, 16:41:58 UTC
canonical result 38642598
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
38642576 628418 6 May 2026, 16:42:07 UTC 6 May 2026, 16:55:30 UTC Error while computing 93.90 5.59 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38642598 646385 6 May 2026, 16:55:40 UTC 11 May 2026, 23:34:07 UTC Completed and validated 147,660.77 39,710.75 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645016 557889 11 May 2026, 16:55:49 UTC 12 May 2026, 11:13:09 UTC Completed and validated 21,532.03 21,379.17 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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