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

Authors

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