High Performance MP Unstructured Finite Element Simulation of Chemically Reacting Flows

We describe the performance of MPSalsa, a MP code that simulates complex systems with strongly coupled fluid flow, thermal energy transfer, mass transfer and non-equilibrium chemical reactions. MPSalsa uses 3D unstructured finite element methods, fully implicit time integration, and general gas-phase and surface-species chemical kinetics to solve the coupled nonlinear PDEs on complex domains. It is designed around general kernels for domain partitioning, unstructured message passing, distributed sparse-block matrix representation of the fully summed global finite element equations, and preconditioned Krylov iterative solvers. Using these techniques, we obtained sustained rates of 210+ Gflop/s for a 3-D chemically reacting flow problem.