GPU Implementation of the DP code

Abstract

Main goal of this PRACE project was to evaluate how GPUs could speed up the DP code { a linear response TDDFT code. Pro ling analysis of the code has been done to identify computational bottlenecks to be delegated to the GPU. In order to speed up this code using GPUs, two di erent strategies have been developed: a local one and a global one. Both strategies have been implemented with cuBLAS and/or CUDA C. Results showed that one can reasonably expect about 10 times speedup on the total execution time, depending on the structure of the input and the size of datasets used, and speedups up to 16 have been observed for some cases

    Similar works