Material Science codes on innovative HPC architectures: targeting exascale

The course will focus on the main codes used by the material science community (namely, Quantum Espresso, Siesta, Yambo, …) introducing their architecture and usage. The course will explain how the codes exploit petascale systems, targeting in particular to PRACE Tier 0 systems, and how they are moving to the exascale era, with specific attention to hybrid, accelerated architectures.

Topics: Introduction to MaX infrastractures (Cineca Tier 0 Marconi, CSCS infrastructure).
Introduction to some of the main code used by the material science community: QE, Siesta, Yambo, qe-lammps.

Target Audience: Computational scientists.

Pre-requisites: Use of HPC infrastructure, knowledge of one or more of the codes used in this course.