Hi, Here is the abstract and link to a pre-print of an article evaluating the application an NVIDIA graphics processing unit to molecular dynamics calculations.
Have a good day, Don ........................................................ arXiv:0709.3225 Date: Thu, 20 Sep 2007 13:07:49 GMT (26kb) Title: Harvesting graphics power for MD simulations Authors: J. A. van Meel, A. Arnold, D. Frenkel, S. F. Portegies Zwart and R. G. Belleman Categories: cond-mat.other cond-mat.soft Comments: 12 pages, 5 figures. Submitted to Mol. Sim \\ 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 80, 40 and 150 fold, respectively. With newest generation of GPU's one can run standard MD simulations at 10^7 flops/$. \\ ( http://arxiv.org/abs/0709.3225 , 26kb) ....................................................... -- Melting rocks today for a better tomorrow . . . Don R. Baker, Professor of Geochemistry, Earth and Planetary Sciences, McGill University, Montreal, QC CANADA phone: 1-514-398-7485 _______________________________________________ Beowulf mailing list, Beowulf@beowulf.org To change your subscription (digest mode or unsubscribe) visit http://www.beowulf.org/mailman/listinfo/beowulf
