A scalable algorithm for many-body dissipative particle dynamics using multiple general purpose graphic processing units

We present a novel algorithm for the many-body Dissipative Particle Dynamics (DPD) forces calculation which allows to efficiently scale DL_MESO software package on Multiple General Purpose Graphic Processing Units. Together with extension 64-bit integer arrays and addition of hard surface boundary conditions, proposed simulate very large complex mesoscale systems up 14 billion beads. The implementation takes advantages CUDA language stream features overlap exchange particle positions local densities computation short range forces. tested water drop between two plates system using tree main European supercomputers: Piz Daint, Marconi JUWELS. Results shows an improvement speedup compared naive 1.5x when 1024 GPUs.