MONTE CARLO SIMULATIONS OF MOLECULAR CLUSTERS: FROM SCALAR TO PARALLEL

作     者：MARTIN SCHÜTZ STEFAN WÜLFERT SAMUEL LEUTWYLER 

作者机构：Institut für anorganische analytische und physikalische Chemie Universität Bern Freiestr.3 3000 Bern 9 Switzerland 

出 版 物：《International Journal of High Speed Computing》 

年 卷 期：1990年第2卷第4期

页      面：289-310页

主　　题：Transputer distributed parallel architectures Metropolis Monte Carlo simulation of particles 

摘      要：The parallelization of a structurally inhomogeneous Metropolis Monte Carlo particle/ potential problem was studied in an application to solvent clusters. The program was ported to a small parallel-processor system consisting of five T800–20 transputers. Different topologies are discussed. The optimum topology depends on the size of the computational problem; for our problem size it is a modified tree structure. Benchmarks are given for a transputer farm, and compared with results obtained on various scalar and vector processors.