Introduction

The CUDA project has enabled scientists to utilise NVIDIA's many-core Graphical Processor Unit (GPU) to solve complex computational problems. Beside being a very fast processor the GPU is relatively cheap, and is thus an ideal computational unit for low-cost high performance supercomputing. Scientific software is currently being developed in a very rapid pace by many different groups world wide, and today there exists optimized software for fluid dynamics and matrix operations just to name a few.

RUMD [`rm di$^\bullet$] is a high-performance molecular dynamics simulation software package optimized for NVIDIA's graphics cards. RUMD is designed for small to medium size systems of spherical particles and simple molecules. RUMD is developed at The Danish National Research Foundation's centre “Glass and Time” which is located at the Department of Sciences, Roskilde University.