Numerical algorithms for high-performance computational science

Abstract

A number of features of today’s high-performance computers make it challenging to exploit these machines fully for computational science. These include increasing core counts but stagnant clock frequencies; the high cost of data movement; use of accelerators (GPUs, FPGAs, coprocessors), making architectures increasingly heterogeneous; and multi- ple precisions of floating-point arithmetic, including half-precision. Moreover, as well as maximizing speed and accuracy, minimizing energy consumption is an important criterion. New generations of algorithms are needed to tackle these challenges. We discuss some approaches that we can take to develop numerical algorithms for high-performance computational science, with a view to exploiting the next generation of supercomputers. This article is part of a discussion meeting issue ‘Numerical algorithms for high-performance computational science’.