17 October 2024 | 09:00 -13:00 CEST
The goal of the MultiXscale EuroHPC Centre-of-Excellence is to enable the simulation of hydrodynamics at different length scales, from atomistic to continuum models, on large scale HPC resources like those provided by EuroHPC systems. It will do this via 3 scientific showcases:
- Supercapacitor systems for battery applications
- Biomedical applications of ultrasound
- Simulation of turbulent flows for rotor aeroelastic analyses
This webinar provides an introduction to EESSI and demonstrates how it supports the development of the key MultiXscale application codes—LAMMPS, waLBerla, and ESPResSo. Discover how EESSI accelerates scientific software installations and development, enabling cutting-edge research in multiscale modeling across various scientific domains. Perfect for researchers, developers, and engineers looking to enhance their software efficiency. This webinar is a joint effort between the CoE MultiXscale EuroHPC and CECAM.
Moderators: Matej Praprotnik (NIC), Sara Bonella (CECAM)
Zoom link: https://epfl.zoom.us/s/63031772254
Program:
09:00 – 09:15 Welcome message and introduction (Matej Praprotnik, National Institute of Chemistry and Sara Bonella, CECAM)
09:15 – 09:45 Introduction to EESSI (Kenneth Hoste, Ghent University)
09:45 – 10:20 Improving the Scalability of Energy Materials Simulations in ESPResSo (Jean-Noël Grad, University of Stuttgart)
10:20 – 10:25 EESSI CI/CD services for ESPResSo and pyMBE (Alan O`Cais, University of Barcelona)
10:25 – 10:40 Q&A
10:40 – 11:00 Coffee break
11:00 – 11:20 Digital twin for ultrasound through OBMD plugin for LAMMPS (Tilen PotiskNational Institute of Chemistry)
11:20 – 11:40 Performance Portability and Scalability of Codes: Kokkos and ALL (Rodrigo Bartolomeu, Jülich Supercomputing Centre)
11:40 – 12:05 Usage of waLBerla for simulation of turbulent flows (Matteo Zanfrognini, LEONARDO)
12:05 – 12:10 Supporting waLBerla applications in EESSI(Alan O`Cais, University of Barcelona)
12:10 – 12:30 Mesoscopic simulations of full supercapacitors using pystencils in EESSI (Céline Merlet, University of Toulouse)
12:30 – 13:00 Q&A
