Accelerating Exascale Reacting Flow Simulations with a Symbolic Analytic Jacobian formulation for QSSA Mechanisms

ORAL

Abstract

One of the most time-consuming aspects of modern reacting flow simulations of real-world engineering application is the evaluation of the chemical reaction mechanism. In this talk we evaluate the recent implementation of a full symbolic analytic Jacobian method in the exascale CFD software Pele on a dual-fuel multi-pulse jet simulation. We compare the results and performance metrics using a range of options in the Pele suite of codes and evaluation of a skeletal and quasi-steady-state approximation chemical reaction mechanism. The methods presented here are deployable on a range of computational architectures, including GPUs, and are scalable up to exascale computing systems.

*This research was supported by the Exascale Computing Project (ECP), Project Number: 17-SC-20-SC, a collaborative effort of two DOE organizations, the Office of Science and the National Nuclear Security Administration, responsible for the planning and preparation of a capable exascale ecosystem, including software, applications, hardware, advanced system engineering, and early testbed platforms to support the nation's exascale computing imperative.

Presenters

  • Nicholas T Wimer

    • National Renewable Energy Laboratory

Authors

  • Nicholas T Wimer

    • National Renewable Energy Laboratory
  • Malik Hassanaly

    • National Renewable Energy Laboratory
  • Lucas Esclapez

    • National Renewable Energy Laboratory
  • Anne Felden

    • Lawrence Berkeley National Lab
  • Julia A Ream

    • Florida State University
  • Marc T Henry de Frahan

    • National Renewable Energy Laboratory
  • Jon Rood

    • National Renewable Energy Laboratory
  • Marc Day

    • National Renewable Energy Laboratory