Domain Specific Libraries: A Game Changer for Portability, Productivity, and Performance in Complex Material Science Codes
DescriptionDomain Specific Libraries (DSL) are collections of routines, types and functions aiming to perform specialised tasks and calculations in well-defined domain. In the area of material modelling, those tasks include for example the computation of Hamiltonian eigenstates, charge density and potential, atomic forces, Poisson solvers, large-matrix iterative solvers for eigenvalue problems, symmetry and crystal-structure managements, etc. Most, if not all, European-funded Centre of Excellence targeting material modelling and quantum chemistry have co-design activities which aim at identifying and productizing DSL. The panel aim to discuss if already DSL developed by these projects are holding on their scope and promises: safely hiding implementation complexity, ensuring portability via specialisation, enhancing developer productivity. Plus one final controversial question: “have those DSL successfully adopted by production codes?” The panel is composed by representatives of key European CoEs which have pursued within their activities the creation and dissemination of DSL. Each panellist will have 3 minutes for an elevator-pitch speech before entering into a moderated Q&A with audience participation. Panellists:
- Dr. Anton Kozhevnikov (CSCS)
- Dr. Oto Kohulak (Université Paul Sabatier Toulouse III)
- Prof. Sara Bonella (CECAM)
- Prof. Claudia Draxl (Humboldt-Universität Berlin)
Moderator: Filippo Spiga (NVIDIA)
TimeTuesday, June 2717:30 - 18:00 CEST
Event Type
Chemistry and Materials