Accelerating dissipative particle dynamics simulations on GPUs: Algorithms, numerics and applications

Published: 1 January 2014| Version 1 | DOI: 10.17632/nwjmdv43fn.1
Yu-Hang Tang, George Em Karniadakis


This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10–30 times speedup on a single GPU over 16 CPU cores and almost linear weak scaling across a thousand nodes. A unified framework is developed within which the efficient generation of the neighbor list and maintaining particle data locality are addressed. Our algorithm generates strictly ordered neighbor lists ... Title of program: GPU-accelerated DPD Package for LAMMPS Catalogue Id: AETN_v1_0 Nature of problem Particle-based simulation of mesoscale systems involving nano/micro-fluids, polymers and spontaneous self-assembly process. Versions of this program held in the CPC repository in Mendeley Data AETN_v1_0; GPU-accelerated DPD Package for LAMMPS; 10.1016/j.cpc.2014.06.015



Physical Chemistry, Computer Hardware, Software, Molecular Physics, Programming Languages, Computational Physics, Fluid Dynamics, Gas