CaDS Seminar 2023 - Mar. 21

Rene Halver (SDL Molecular Systems)

Enabling MPCD for GPUs (and more) - MPCD as a demonstrator for porting a code via Kokkos

Abstract:

Since modularity in HPC is a cornerstone in the direction of development at JSC, interoperability and portability of application software is key for efficient usage of heterogeneous and coupled compute resources. One of the main focus areas of the SDL Molecular Systems is particle simulation methods and in this talk it will be presented how the Multi-Particle Collision Dynamics (MPCD) algorithm, a particle-based description of hydrodynamic interactions, is ported to different architectures with the help of the framework Kokkos. Typical points of interest in parallelization will be shown and  possible solutions implemented with Kokkos discussed.