A Study of Parallel DVM-DAC Algorithm in Multiscale Physics

The phenomenon of multiscale and the corresponding theoretical model is an important scientific problem in the complex system. It is difficult for the traditional theory to describe the nature of spanning scale and multilevel problem. Being an efficient model for large scale system, the DVM-DAC algorithm has the O(n) linear scaling character originated from using the divide-and-conquer theory. However, the solving of eigenvalue equations brings serious computing bottleneck. In this paper, a parallel DVM-DAC method is presented to solve this problem. The performed results demonstrate that the parallel DVM-DAC algorithm which has succeeded in processing the carbon nanotube system with 10\+4 atoms, and has good scalability. It can be predicted that the parallel DVM-DAC method is a important tool for the study of multiscale physics.