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

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.