Optimal allocation of replicas to processors in parallel tempering simulations

被引：18

作者：

Earl, DJ

Deem, MW

机构：

[1] Rice Univ, Dept Bioengn, Houston, TX 77005 USA

[2] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2004年 / 108卷 / 21期

关键词：

D O I：

10.1021/jp0376626

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 optimal allocation of replicas to a homogeneous or heterogeneous set of processors is derived for parallel tempering simulations on multiprocessor machines. In the general case, it is possible without substantially increasing wall clock time to achieve nearly perfect utilization of CPU time. Random fluctuations in the execution time of each replica do not significantly degrade the performance of the scheduler.

引用

页码：6844 / 6849

页数：6

共 11 条

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[Anonymous], SPIN GLASSES RANDOM

[2]

Ashour Said, 1972, Sequencing Theory

[3]

Bunker A., 2001, PHYS REV E, V63

[4]

Coffman Jr E. G., 1976, COMPUTER JOB SHOP SC