Search of molecular ground state via genetic algorithm: Implementation on a hybrid SIMD-MIMD platform

N. Pucello, M. Rosati, G. D'Agostino, F. Pisacane, V. Rosato, M. Celino

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Abstract

A genetic algorithm for the optimization of the ground-state structure of a metallic cluster has been developed and ported on a SIMD-MIMD parallel platform. The SIMD part of the parallel platform is represented by a Quadrics/APE100 consisting of 512 floating point units, while the MIMD part is formed by a cluster of workstations. The proposed algorithm is composed by a part where the genetic operators are applied to the elements of the population and a part which performs a further local relaxation and the fitness calculation via Molecular Dynamics. These parts have been implemented on the MIMD and on the SIMD part, respectively. Results have been compared to those generated by using Simulated Annealing.
Original languageEnglish
Pages (from-to)239 - 252
Number of pages14
JournalInternational Journal of Modern Physics C
Volume8
Issue number2
DOIs
Publication statusPublished - 1997

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All Science Journal Classification (ASJC) codes

  • Statistical and Nonlinear Physics
  • Mathematical Physics
  • Physics and Astronomy(all)
  • Computer Science Applications
  • Computational Theory and Mathematics

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