Parallelization benchmarks of plane wave self-consistent field calculations on an IBM BlueGene supercomputer

Authors

Paul Daniel S. Ang National Institute of Physics, University of the Philippines Diliman
Lean Louiel A. Peria National Institute of Physics, University of the Philippines Diliman
Joshua Gregor A. Dizon National Institute of Physics, University of the Philippines Diliman
Francis N. C. Paraan National Institute of Physics, University of the Philippines Diliman

Abstract

A plane wave self-consistent field calculation was parallelized over two node cards of an IBM BlueGene/P supercomputer. A maximum speedup of 9× was measured in Virtual Node execution mode. The observed performance improvements are consistent with Amdahl’s law for an algorithm that is approximately 89% parallelizable.

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Issue

2016: Proceedings of the 34th Samahang Pisika ng Pilipinas Physics Conference

Article ID

SPP-2016-PB-19

Section

Poster Session PB

Published

2016-08-18

How to Cite

[1]

PDS Ang, LLA Peria, JGA Dizon, and FNC Paraan, Parallelization benchmarks of plane wave self-consistent field calculations on an IBM BlueGene supercomputer, Proceedings of the Samahang Pisika ng Pilipinas 34, SPP-2016-PB-19 (2016). URL: https://proceedings.spp-online.org/article/view/SPP-2016-PB-19.