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

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