High-performance generation of the Hamiltonian and Overlap matrices in FLAPW methods
Abstract
One of the greatest efforts of computational scientists is to translate the mathematical model describing a class of physical phenomena into large and complex codes. Many of these codes face the difficulty of implementing the mathematical operations in the model in terms of low level optimized kernels offering both performance and portability. Legacy codes suffer from the additional curse of rigid design choices based on outdated performance...
Paper Details
Title
High-performance generation of the Hamiltonian and Overlap matrices in FLAPW methods
Published Date
Feb 1, 2017
Volume
211
Pages
61 - 72
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