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


Proceedings of the 34th Samahang Pisika ng Pilipinas Physics Congress, University of the Philippines Visayas, Iloilo City, 18–21 Aug 2016, SPP-2016-PB-19.


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.