LBcuda: A high-performance CUDA port of LBsoft for simulation of colloidal systems

• DOI: 10.1016/j.cpc.2022.108380
• Publication Date: 2022-04-27T15:29:09Z
• Authors: Fabio Bonaccorso; Marco Lauricella; Andrea Montessori; Giorgio Amati; Massimo Bernaschi; Filippo Spiga; Adriano Tiribocchi; Sauro Succi
• Keywords: Solver; Lattice Boltzmann methods; Fortran; Python

We present LBcuda, a GPU accelerated version of LBsoft, our open-source MPI-based software for the simulation of multi-component colloidal flows. We describe the design principles, the optimization and the resulting performance as compared to the CPU version, using both an average cost GPU and high-end NVidia GPU cards (V100 and the latest A100). The results show a substantial acceleration for the fluid solver reaching up to 200 GLUPS (Giga Lattice Updates Per Second) on a cluster made of 512 A100 NVIDIA cards simulating a grid of eight billion lattice points. These results open attractive prospects for the computational design of new materials based on colloidal particles.<br/>27 pages, 5 figures<br/>