Using heterogeneous GPU nodes with a Cabana-based implementation of MPCD

The Kokkos based library Cabana, which has been developed in the Co-design Center for Particle Applications (CoPA), is used for the implementation of Multi-Particle Collision Dynamics (MPCD), a particle-based description of hydrodynamic interactions. Cabana allows for a function portable implementation, which has been used to study the interplay between CPU and GPU usage on a multi-node system as well as analysis of said interplay with performance analysis tools. As a result, we see most advantages in a homogeneous GPU usage, but we also discuss the extent to which heterogeneous applications might be more performant, using both CPU and GPU concurrently. •Kokkos allows portability between architectures with little programming overhead•Transition enabled between CPU and GPU architectures with little programming overhead•Cabana library allows simultaneous program execution on CPU and GPU architectures