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We discuss an implementation of molecular dynamics (MD) simulations on a graphic processing unit (GPU) in the NVIDIA
CUDA language. We tested our code on a modern GPU, the NVIDIA GeForce 8800 GTX. Results for two MD algorithms
suitable for short-ranged and long-ranged interactions, and a congruential shift random number generator are presented. The
performance of the GPU’s is compared to their main processor counterpart. We achieve speedups of up to 40, 80 and 150
fold, respectively. With the latest generation of GPU’s one can run standard MD simulations at 107 flops/$
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