マルチコアCPUクラスタ計算環境の構築 : Gaussian 03計算について

概要

論文の詳細を見る
In order to obtain the well-turned quantum calculation environment for a chemical researcher, we developed the construction procedure of Linux cluster system for Gaussian 03 with Linda Parallel without bothersome labor. In this system, all the jobs for calculations are managed and continuously executed by a shell or perl script and an input file, which includes environmental parameters automatically, and the results are archived. When 4-8 core or CPU per 1 SCF calculations were selected for a moderate size of jobs such as test397.com, the performance per cost became high. In this paper we report the specific properties and basic performance about usual single core Beowulf cluster and multi-core CPU cluster system connected by myrinet on PCI bus or 1000Base-T ethernet on PCI Express. Almost the same performances were obtained from the myrinet and the ethernet systems.
福井大学の論文
2006-03-31