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

被引：1

作者：

Pucello, N ^{[1
]}

Rosati, M ^{[1
]}

DAgostino, G ^{[1
]}

Pisacane, F ^{[1
]}

Rosato, V ^{[1
]}

Celino, M ^{[1
]}

机构：

[1] ENEA,ENTE NUOVE TECNOL ENERGIA & AMBIENTE,CR CASACCIA,HPCN PROJECT,I-00100 ROME,ITALY

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 1997年 / 8卷 / 02期

关键词：

genetic algorithm; optimization; molecular dynamics; parallel computer; TRANSITION-METALS; OPTIMIZATION;

D O I：

10.1142/S0129183197000217

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

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.

引用

页码：239 / 252

页数：14

共 10 条

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MULTISCALE PHENOMENA AND THEIR SIMULATION, 1997, : 124 - 128
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