Using GPUs to compute fast Fourier transforms for crystal structure solution and refinement

Abstract

In the past few years, new hardware tools have become available for computing using the graphical processing units (GPUs) present in modern graphics cards. These GPUs allow efficient parallel calculations with a much higher throughput than microprocessors. In this work, fast Fourier transformation calculations used inSIR2011software algorithms have been carried out using the power of the GPU, and the speed of the calculations has been compared with that achieved using normal CPUs.