Design considerations for molecular dynamics algorithms capable of taking
advantage of the computational power of a graphics processing unit (GPU) are
described. Accommodating the constraints of scalable streaming-multiprocessor
hardware necessitates a reformulation of the underlying algorithm. Performance
measurements demonstrate the considerable benefit and cost-effectiveness of
such an approach, which produces a factor of 2.5 speed improvement over
previous work for the case of the soft-sphere potential.Comment: 20 pages (v2: minor additions and changes; v3: corrected typos