New parallel hybrid genetic algorithm based on molecular dynamics approach for energy minimization of atomistic systems

Author

Celino, M. ; Palazzari, P. ; Pucello, N. ; Rosati, M. ; Rosato, V.

Author_Institution

HPCN Project, ENEA, Rome, Italy

fYear

1997

fDate

13-16 Apr 1997

Firstpage

115

Lastpage

119

Abstract

A hybrid genetic algorithm (HGA) for the optimization of the ground state structure of a metallic atomic cluster has been implemented on a MIMD-SIMD parallel platform. The concept of building block (BB) is generalized to cover this real coded optimization problem. On the basis of some reasonings on the dependence of the convergence of genetic algorithms (GAs) from BBs, a hybrid genetic algorithm (HGA) is proposed to solve the minimization problem. All the elements of each new population are optimized through a molecular dynamics algorithm: the aim of MD is to create ever better BBs and, consequently, to improve the convergence of GAs. HGA has been implemented on a MIMD-SIMD platform based on the massively parallel processing supercomputer Quadrics/APE100, which offers a peak performance of 25.6 Gflops; we obtained a sustained computational power greater than 10 Gflops

Keywords

genetic algorithms; minimisation; molecular dynamics method; parallel algorithms; parallel machines; physics; physics computing; GA convergence; MIMD-SIMD parallel platform; Quadrics/APE100; atomistic systems; building block; computational power; energy minimization; ground state structure optimisation; massively parallel processing supercomputer; metallic atomic cluster; minimization problem; molecular dynamics algorithm; molecular dynamics approach; parallel hybrid genetic algorithm; population; real coded optimization problem; Chemical elements; Clustering algorithms; Concurrent computing; Convergence; Genetic algorithms; Heuristic algorithms; Minimization methods; Palladium; Parallel processing; Supercomputers;

fLanguage

English

Publisher

ieee

Conference_Titel

Evolutionary Computation, 1997., IEEE International Conference on

Conference_Location

Indianapolis, IN

Print_ISBN

0-7803-3949-5

Type

conf

DOI

10.1109/ICEC.1997.592280

Filename

592280