2003 International Conference on Parallel Processing Workshops (ICPPW'03)
Parallel Multi-Scale Computation Using the Message Passing Interface
Kaohsiung, Taiwan
October 06-October 09
ISBN: 0-7695-2018-9
B. Fox, Institute of High Performance Computing
P. Liu, Institute of High Performance Computing
C. Lu, Institute of High Performance Computing
H. P. Lee, Institute of High Performance Computing
A sequential three-dimensional hybrid molecular-dynamics (MD)/finite-element (FE) code to perform continuum and atomistic multi-scale modeling and computation, has been parallelized using the Message Passing Interface (MPI) library. A master-slave divide-and-conquer approach, emphasizing the functionality and robustness of the code, is implemented through loop parallelism and has reduced execution time: yielding a speedup of greater than 3 and has shown potential for further speedup. The smoothness of the stress distribution across the overlapping region between the continuum domain and the atomistic domain demonstrates the suitability of this method to nanostructure modeling.
Citation:
B. Fox, P. Liu, C. Lu, H. P. Lee, "Parallel Multi-Scale Computation Using the Message Passing Interface," icppw, pp.199, 2003 International Conference on Parallel Processing Workshops (ICPPW'03), 2003