Workunit 31585347

name p38_3_A02_A08_r0_5-QUICO_ATM_OpenFF_NAGL_p38_3-1-6-RND8185
application ATM: Free energy calculations of protein-ligand binding
created 29 Apr 2026, 14:27:57 UTC
canonical result 38644786
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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ComputerSentTime reported
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StatusRun time
(sec)
CPU time
(sec)
CreditApplication
38637277 638825 29 Apr 2026, 14:34:30 UTC 29 Apr 2026, 15:07:32 UTC Error while computing 108.12 0.02 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38637352 651032 29 Apr 2026, 15:07:40 UTC 4 May 2026, 15:08:12 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38642069 647893 4 May 2026, 15:07:53 UTC 9 May 2026, 21:29:39 UTC Completed, too late to validate 21,343.94 20,522.39 0.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644786 649650 9 May 2026, 15:07:56 UTC 9 May 2026, 20:06:18 UTC Completed and validated 12,971.46 12,304.34 750,000.00 ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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