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.

Proceedings SPP 2016 Cover

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Published

2016-08-18

Issue

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

Section

Poster Session PB

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How to Cite

[1]
“Parallelization benchmarks of plane wave self-consistent field calculations on an IBM BlueGene supercomputer”, Proc. SPP, vol. 34, no. 1, p. SPP-2016-PB-19, Aug. 2016, Accessed: Apr. 16, 2026. [Online]. Available: https://proceedings.spp-online.org/article/view/SPP-2016-PB-19