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Title: Performance of explicit and IMEX MRI multirate methods on complex reactive flow problems within modern parallel adaptive structured grid frameworks

Abstract

Large-scale multiphysics simulations are computationally challenging due to the coupling of multiple processes with widely disparate time scales. The advent of exascale computing systems exacerbates these challenges since these systems enable ever-increasing size and complexity. In recent years, there has been renewed interest in developing multirate methods as a means to handle the large range of time scales, as these methods may afford greater accuracy and efficiency than more traditional approaches of using implicit-explicit (IMEX) and low-order operator splitting schemes. However, to date there have been few performance studies that compare different classes of multirate integrators on complex application problems. In this work, we study the performance of several newly developed multirate infinitesimal (MRI) methods, implemented in the SUNDIALS solver package, on two reacting flow model problems built on structured mesh frameworks. The first model revisits prior work on a compressible reacting flow problem with complex chemistry that is implemented using BoxLib but where we now include comparisons between a new explicit MRI scheme with the multirate spectral deferred correction (SDC) methods in the original paper. The second problem uses the same complex chemistry as the first problem, combined with a simplified flow model, but runs at a large spatialmore » scale where explicit methods become infeasible due to stability constraints. Two recently developed IMEX MRI multirate methods are tested. These methods rely on advanced features of the AMReX framework on which the model is built, such as multilevel grids and multilevel preconditioners. The results from these two problems show that MRI multirate methods can offer significant performance benefits on complex multiphysics application problems and that these methods may be combined with advanced spatial discretization to compound the advantages of both.« less

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [1]; ORCiD logo [1]
  1. Center for Applied Scientific Computing, Lawrence Livermore National Laboratory, Livermore, CA, USA
  2. Center for Computational Sciences and Engineering, Lawrence Berkeley National Laboratory, Berkeley, CA, USA
  3. Department of Mathematics, Southern Methodist University, Dallas, TX, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
2311932
Grant/Contract Number:  
Scientific Discovery through Advanced Computing (SciDAC)
Resource Type:
Published Article
Journal Name:
International Journal of High Performance Computing Applications
Additional Journal Information:
Journal Name: International Journal of High Performance Computing Applications; Journal ID: ISSN 1094-3420
Publisher:
SAGE Publications
Country of Publication:
United States
Language:
English

Citation Formats

Loffeld, John J., Nonaka, Andy, Reynolds, Daniel R., Gardner, David J., and Woodward, Carol S. Performance of explicit and IMEX MRI multirate methods on complex reactive flow problems within modern parallel adaptive structured grid frameworks. United States: N. p., 2024. Web. doi:10.1177/10943420241227914.
Loffeld, John J., Nonaka, Andy, Reynolds, Daniel R., Gardner, David J., & Woodward, Carol S. Performance of explicit and IMEX MRI multirate methods on complex reactive flow problems within modern parallel adaptive structured grid frameworks. United States. https://doi.org/10.1177/10943420241227914
Loffeld, John J., Nonaka, Andy, Reynolds, Daniel R., Gardner, David J., and Woodward, Carol S. Sun . "Performance of explicit and IMEX MRI multirate methods on complex reactive flow problems within modern parallel adaptive structured grid frameworks". United States. https://doi.org/10.1177/10943420241227914.
@article{osti_2311932,
title = {Performance of explicit and IMEX MRI multirate methods on complex reactive flow problems within modern parallel adaptive structured grid frameworks},
author = {Loffeld, John J. and Nonaka, Andy and Reynolds, Daniel R. and Gardner, David J. and Woodward, Carol S.},
abstractNote = {Large-scale multiphysics simulations are computationally challenging due to the coupling of multiple processes with widely disparate time scales. The advent of exascale computing systems exacerbates these challenges since these systems enable ever-increasing size and complexity. In recent years, there has been renewed interest in developing multirate methods as a means to handle the large range of time scales, as these methods may afford greater accuracy and efficiency than more traditional approaches of using implicit-explicit (IMEX) and low-order operator splitting schemes. However, to date there have been few performance studies that compare different classes of multirate integrators on complex application problems. In this work, we study the performance of several newly developed multirate infinitesimal (MRI) methods, implemented in the SUNDIALS solver package, on two reacting flow model problems built on structured mesh frameworks. The first model revisits prior work on a compressible reacting flow problem with complex chemistry that is implemented using BoxLib but where we now include comparisons between a new explicit MRI scheme with the multirate spectral deferred correction (SDC) methods in the original paper. The second problem uses the same complex chemistry as the first problem, combined with a simplified flow model, but runs at a large spatial scale where explicit methods become infeasible due to stability constraints. Two recently developed IMEX MRI multirate methods are tested. These methods rely on advanced features of the AMReX framework on which the model is built, such as multilevel grids and multilevel preconditioners. The results from these two problems show that MRI multirate methods can offer significant performance benefits on complex multiphysics application problems and that these methods may be combined with advanced spatial discretization to compound the advantages of both.},
doi = {10.1177/10943420241227914},
journal = {International Journal of High Performance Computing Applications},
number = ,
volume = ,
place = {United States},
year = {Sun Feb 25 00:00:00 EST 2024},
month = {Sun Feb 25 00:00:00 EST 2024}
}

Works referenced in this record:

A high-order spectral deferred correction strategy for low Mach number flow with complex chemistry
journal, March 2016


A fourth-order adaptive mesh refinement algorithm for the multicomponent, reacting compressible Navier–Stokes equations
journal, January 2019


Nyx: A Massively Parallel AMR Code for Computational Cosmology
journal, July 2021

  • Sexton, Jean; Lukic, Zarija; Almgren, Ann
  • Journal of Open Source Software, Vol. 6, Issue 63
  • DOI: 10.21105/joss.03068

Terascale direct numerical simulations of turbulent combustion using S3D
journal, January 2009


Implicit-Explicit Multirate Infinitesimal GARK Methods
journal, January 2021

  • Chinomona, Rujeko; Reynolds, Daniel R.
  • SIAM Journal on Scientific Computing, Vol. 43, Issue 5
  • DOI: 10.1137/20M1354349

Conservative multi-implicit spectral deferred correction methods for reacting gas dynamics
journal, March 2004


A comparison of fourth-order operator splitting methods for cardiac simulations
journal, November 2019


Improved Coupling of Hydrodynamics and Nuclear Reactions via Spectral Deferred Corrections
journal, November 2019


A 3(2) pair of Runge - Kutta formulas
journal, January 1989


Additive Runge–Kutta schemes for convection–diffusion–reaction equations
journal, January 2003


Semi-implicit spectral deferred correction methods for ordinary differential equations
journal, January 2003


On balanced approximations for time integration of multiple time scale systems
journal, March 2003


Nth-Order Operator Splitting Schemes and Nonreversible Systems
journal, February 1996

  • Goldman, Daniel; Kaper, Tasso J.
  • SIAM Journal on Numerical Analysis, Vol. 33, Issue 1
  • DOI: 10.1137/0733018

A New Class of High-Order Methods for Multirate Differential Equations
journal, January 2020

  • Luan, Vu Thai; Chinomona, Rujeko; Reynolds, Daniel R.
  • SIAM Journal on Scientific Computing, Vol. 42, Issue 2
  • DOI: 10.1137/19M125621X

Spectral Deferred Correction Methods for Ordinary Differential Equations
journal, June 2000

  • Dutt, Alok; Greengard, Leslie; Rokhlin, Vladimir
  • Bit Numerical Mathematics, Vol. 40, Issue 2, p. 241-266
  • DOI: 10.1023/A:1022338906936

AMReX: a framework for block-structured adaptive mesh refinement
journal, May 2019

  • Zhang, Weiqun; Almgren, Ann; Beckner, Vince
  • Journal of Open Source Software, Vol. 4, Issue 37
  • DOI: 10.21105/joss.01370

An A Posteriori–A Priori Analysis of Multiscale Operator Splitting
journal, January 2008

  • Estep, D.; Ginting, V.; Ropp, D.
  • SIAM Journal on Numerical Analysis, Vol. 46, Issue 3
  • DOI: 10.1137/07068237X

A Class of Multirate Infinitesimal GARK Methods
journal, January 2019

  • Sandu, Adrian
  • SIAM Journal on Numerical Analysis, Vol. 57, Issue 5
  • DOI: 10.1137/18M1205492

BoxLib with Tiling: An Adaptive Mesh Refinement Software Framework
journal, January 2016

  • Zhang, Weiqun; Almgren, Ann; Day, Marcus
  • SIAM Journal on Scientific Computing, Vol. 38, Issue 5
  • DOI: 10.1137/15M102616X

xSDK Foundations: Toward an Extreme-scale Scientific Software Development Kit
journal, March 2017

  • Bartlett, Roscoe; Demeshko, Irina; Gamblin, Todd
  • Supercomputing Frontiers and Innovations, Vol. 4, Issue 1
  • DOI: 10.14529/jsfi170104

A variable order Runge-Kutta method for initial value problems with rapidly varying right-hand sides
journal, September 1990

  • Cash, J. R.; Karp, Alan H.
  • ACM Transactions on Mathematical Software, Vol. 16, Issue 3
  • DOI: 10.1145/79505.79507

Multirate generalized additive Runge Kutta methods
journal, August 2015


A deferred correction coupling strategy for low Mach number flow with complex chemistry
journal, December 2012


Stability of backward Euler multirate methods and convergence of waveform relaxation
journal, June 1992


GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems
journal, July 1986

  • Saad, Youcef; Schultz, Martin H.
  • SIAM Journal on Scientific and Statistical Computing, Vol. 7, Issue 3
  • DOI: 10.1137/0907058

Warp-X: A new exascale computing platform for beam–plasma simulations
journal, November 2018

  • Vay, J. -L.; Almgren, A.; Bell, J.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 909
  • DOI: 10.1016/j.nima.2018.01.035

Implicit-explicit Runge-Kutta methods for computing atmospheric reactive flows
journal, October 1998


Multirate Runge–Kutta schemes for advection equations
journal, April 2009

  • Schlegel, Martin; Knoth, Oswald; Arnold, Martin
  • Journal of Computational and Applied Mathematics, Vol. 226, Issue 2
  • DOI: 10.1016/j.cam.2008.08.009

Characteristic Chemical Time Scales for Reactive Flow Modeling
journal, May 2020

  • Wartha, Eva-Maria; Bösenhofer, Markus; Harasek, Michael
  • Combustion Science and Technology, Vol. 193, Issue 16
  • DOI: 10.1080/00102202.2020.1760257

Implicit Multirate GARK Methods
journal, February 2021

  • Roberts, Steven; Loffeld, John; Sarshar, Arash
  • Journal of Scientific Computing, Vol. 87, Issue 1
  • DOI: 10.1007/s10915-020-01400-z

High-order multi-implicit spectral deferred correction methods for problems of reactive flow
journal, August 2003


On the Construction and Comparison of Difference Schemes
journal, September 1968

  • Strang, Gilbert
  • SIAM Journal on Numerical Analysis, Vol. 5, Issue 3
  • DOI: 10.1137/0705041

Enabling New Flexibility in the SUNDIALS Suite of Nonlinear and Differential/Algebraic Equation Solvers
journal, September 2022

  • Gardner, David J.; Reynolds, Daniel R.; Woodward, Carol S.
  • ACM Transactions on Mathematical Software, Vol. 48, Issue 3
  • DOI: 10.1145/3539801

High-order partitioned spectral deferred correction solvers for multiphysics problems
journal, July 2020

  • Huang, Daniel Z.; Pazner, Will; Persson, Per-Olof
  • Journal of Computational Physics, Vol. 412
  • DOI: 10.1016/j.jcp.2020.109441

ARKODE: A Flexible IVP Solver Infrastructure for One-step Methods
journal, June 2023

  • Reynolds, Daniel R.; Gardner, David J.; Woodward, Carol S.
  • ACM Transactions on Mathematical Software, Vol. 49, Issue 2
  • DOI: 10.1145/3594632

MAESTROeX: A Massively Parallel Low Mach Number Astrophysical Solver
journal, December 2019

  • Fan, Duoming; Nonaka, Andrew; Almgren, Ann S.
  • The Astrophysical Journal, Vol. 887, Issue 2
  • DOI: 10.3847/1538-4357/ab4f75

Numerical simulation of laminar reacting flows with complex chemistry
journal, December 2000


Solving Ordinary Differential Equations II
book, September 1996


AMReX: Block-structured adaptive mesh refinement for multiphysics applications
journal, June 2021

  • Zhang, Weiqun; Myers, Andrew; Gott, Kevin
  • The International Journal of High Performance Computing Applications
  • DOI: 10.1177/10943420211022811

An algorithm for point clustering and grid generation
journal, January 1991

  • Berger, M.; Rigoutsos, I.
  • IEEE Transactions on Systems, Man, and Cybernetics, Vol. 21, Issue 5
  • DOI: 10.1109/21.120081

Low-storage, explicit Runge–Kutta schemes for the compressible Navier–Stokes equations
journal, November 2000

  • Kennedy, Christopher A.; Carpenter, Mark H.; Lewis, R. Michael
  • Applied Numerical Mathematics, Vol. 35, Issue 3
  • DOI: 10.1016/S0168-9274(99)00141-5

Implicit-Explicit Methods for Time-Dependent Partial Differential Equations
journal, June 1995

  • Ascher, Uri M.; Ruuth, Steven J.; Wetton, Brian T. R.
  • SIAM Journal on Numerical Analysis, Vol. 32, Issue 3
  • DOI: 10.1137/0732037

Multirate linear multistep methods
journal, December 1984


Splitting methods
journal, January 2002


A conservative, thermodynamically consistent numerical approach for low Mach number combustion. Part I: Single-level integration
journal, August 2017


High-order algorithms for compressible reacting flow with complex chemistry
journal, May 2014


SUNDIALS: Suite of nonlinear and differential/algebraic equation solvers
journal, September 2005

  • Hindmarsh, Alan C.; Brown, Peter N.; Grant, Keith E.
  • ACM Transactions on Mathematical Software, Vol. 31, Issue 3
  • DOI: 10.1145/1089014.1089020

Nyx: A MASSIVELY PARALLEL AMR CODE FOR COMPUTATIONAL COSMOLOGY
journal, February 2013