A preliminary study of molecular dynamics on reconfigurable computers
Christophe Wolinski, Frans Trouw, Maya B. Gokhale · University of North Texas Digital Library (University of North Texas) · 2003
In this paper we investigate the performance of platform FPGAs on a compute-intensive, floating-point-intensive supercomputing application, Molecular Dynamics (MD). MD is a popular simulation technique to track interacting particles through time by integrating their equations of motion. One part of the MD algorithm was implemented using the Fabric Generator (FG)[l I ] and mapped onto several reconfigurable logic arrays. FG is a Java-based toolset that greatly accelerates construction of the fabrics from an abstract technology independent representation. Our experiments used technology-independent IEEE 32-bit floating point operators so that the design could be easily re-targeted. Experiments were performed using both non-pipelined and pipelined floating point modules. We present results for the Altera Excalibur ARM System on a Programmable Chip (SoPC), the Altera Strath EPlS80, and the Xilinx Virtex-N Pro 2VP.50. The best results obtained were 5.69 GFlops at 8OMHz(Altera Strath EPlS80), and 4.47 GFlops at 82 MHz (Xilinx Virtex-II Pro 2VF50). Assuming a lOWpower budget, these results compare very favorably to a 4Gjlop/40Wprocessing/power rate for a modern Pentium, suggesting that reconfigurable logic can achieve high performance at low power on jloating-point-intensivea pplications.