WHERE ARE EMBARRASSINGLY PARALLEL PROBLEMS - THE ATOM-DIATOM QUASI-CLASSICAL REACTIVITY

被引：5

作者：

LAGANA, A

GERVASI, O

BARAGLI, R

LAFORENZA, D

PEREGO, R

机构：

[1] UNIV PERUGIA,CTR CALCOLO,I-06100 PERUGIA,ITALY

[2] CNUCE,PISA,ITALY

来源：

THEORETICA CHIMICA ACTA | 1993年 / 84卷 / 4-5期

关键词：

QUASI-CLASSICAL REACTIVITY; ATOM-DIATOM; REACTIVE CROSS SECTIONS; PARALLEL COMPUTING;

D O I：

10.1007/BF01113279

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The apparently embarrassingly parallel problem of calculating a batch of quasiclassical trajectories to evaluate cross sections or rate constants has been analyzed. The study shows that only an accurate evaluation of the performance parameters and a consequent appropriate restructuring of the computer code allows the achievement of high speedup and efficiency especially when large calculations are implemented on massively parallel systems.

引用

页码：413 / 421

页数：9

共 14 条

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