The Pele Simulation Suite for Reacting Flows at Exascale

Conference · Mon Feb 12 04:00:00 EST 2024

DOI:https://doi.org/10.1137/1.9781611977967.2· OSTI ID:2428929

Henry de Frahan, Marc T.; Esclapez, Lucas; Rood, Jon; Wimer, Nicholas T.; Mullowney, Paul; Perry, Bruce A.; Owen, Landon; Sitaraman, Hariswaran; Yellapantula, Shashank; Hassanaly, Malik; Rahimi, Mohammad J.; Martin, Michael J.; Doronina, Olga A.; A., Sreejith N.; Reith, Martin; Ge, Wenjun; Sankaran, Ramanan; Almgren, Ann S.; Zhang, Weiqun; Bell, John B. ; Grout, Ray; Day, Marc S.; Chen, Jacqueline H.

In this work, we present the Pele suite of software tools for compressible and incompressible reacting flows. The Pele suite leverages several different libraries, notably AMReX and SUNDIALS, to achieve performance portability on heterogeneous computing architectures across the supercomputing landscape. The Pele suite is comprised of PeleC, a compressible reacting flow block-structured adaptive mesh refinement solver, PeleLMeX, a low-Mach number reacting flow block-structured adaptive mesh refinement solver, Pele-Physics, a library for transport, thermodynamics, finite rate chemistry, soot, spray and radiation physics. The objective of this paper is (i) to present the code development efforts necessary to achieve highly effective and scalable applications for exascale machines and (ii) to detail the performance results of the Combustion-Pele project applications on Oak Ridge National Laboratory's Frontier. We show good weak and strong scaling results for both PeleC and PeleLMeX up to more than 50 billion cells on more than 4096 Frontier graphics processing unit nodes. We also present a capability demonstration simulation of a dual-fuel pulse compression ignition engine (six adaptive mesh refinement levels, and 60 billion cells or 2.1 trillion degrees of freedom) on Frontier, to date one of the largest simulations performed on the first exascale-class supercomputer.

• Research Organization: National Renewable Energy Laboratory (NREL), Golden, CO (United States)
• Sponsoring Organization: USDOE Office of Science (SC); USDOE National Nuclear Security Administration (NNSA); Exascale Computing Project (ECP)
• DOE Contract Number: AC36-08GO28308
• OSTI ID: 2428929
• Report Number(s): NREL/CP-2C00-86606; MainId:87379; UUID:4468c0d8-9429-4fb6-8078-03a4ec16a01f; MainAdminId:73157
• Country of Publication: United States
• Language: English

Related Subjects

MATHEMATICS AND COMPUTING
adaptive mesh refinement
computational fluid dynamics
high performance computing
reacting flows