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

Authors

Paul Daniel S. Ang; Lean Louiel A Peria; Joshua Gregor A Dizon; Francis N. C. Paraan

Source

Proceedings of the 34th Samahang Pisika ng Pilipinas Physics Congress, University of the Philippines Visayas, Iloilo City, SPP-2016-PB-19 (2016).

Abstract

A plane wave self-consistent field calculation was parallelized over two node cards of an IBM BlueGene/P supercomputer. A maximum speedup of 9x 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.