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RUMD is a general purpose, high-performance molecular dynamics (MD)simulation package running on graphical processing units (GPU's). RUMDaddresses the challenge of utilizing the many-core nature of modern GPUhardware when simulating small to medium system sizes (roughly from a fewthousand up to hundred thousand particles). It has a performance that iscomparable to other GPU-MD codes at large system sizes and substantially betterat smaller sizes.RUMD is open-source and consists of a library written in C++and the CUDA extension to C, an easy-to-use Python interface, and a set oftools for set-up and post-simulation data analysis. The paper describes RUMD'smain features, optimizations and performance benchmarks.

RUMD: A general purpose molecular dynamics package optimized to utilize GPU hardware down to a few thousand particles