Quantum ESPRESSO (QE) is an open-source distribution of software code packages for materials simulation and modeling at the nanoscale. Based on density functional theory, pseudopotentials and plane waves, QE runs on a wide variety of architectures from laptops to large-scale HPC systems.
In this webinar, Fabrizio Ferrari Ruffino from the 'Istituto Officina dei Materiali' at Italian National Council of Research (CNR-IOM) will present the current status of QE porting, including the strategies to allow coexistence of different offloading models, and share a number of benchmark results from DFT self-consistent calculations and linear response.
By attending this webinar, participants can expect to:
- Get an overview of the general porting strategies adopted for a large, scientific 'community' code such as QE;
- See the actual current porting status of QE, with focus on the coexistence of different standards (OpenACC, OpenMP0; and
- See the state of the art of QE performance on large heterogeneous HPC systems.