Workunit 31552936

name BACE_A32_A35_r0_5-QUICO_ATM_GAFF2_NAGL_BACE-0-6-RND0754
application ATM: Free energy calculations of protein-ligand binding
created 8 Apr 2026, 7:39:07 UTC
canonical result 38598439
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
38597018 643393 8 Apr 2026, 7:54:52 UTC 8 Apr 2026, 8:16:43 UTC Error while computing 234.38 11.34 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38597863 505468 8 Apr 2026, 8:35:12 UTC 8 Apr 2026, 9:04:00 UTC Abandoned 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598132 619836 8 Apr 2026, 9:17:09 UTC 8 Apr 2026, 9:19:41 UTC Error while computing 76.72 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598304 648465 8 Apr 2026, 9:28:08 UTC 8 Apr 2026, 9:32:06 UTC Error while computing 58.74 17.31 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38598358 617857 8 Apr 2026, 9:40:34 UTC 8 Apr 2026, 9:47:38 UTC Error while computing 124.64 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598427 610183 8 Apr 2026, 9:47:55 UTC 8 Apr 2026, 9:50:24 UTC Error while computing 41.40 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38598439 630621 8 Apr 2026, 9:53:30 UTC 9 Apr 2026, 6:34:52 UTC Completed and validated 12,046.41 12,046.41 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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