European Centres of Excellence EoCoE And POP Start Into Their Third Rounds
In January 2024, EuroHPC JU relaunched the Centres of Excellence (CoE) EoCoE and POP to support research and innovation actions that will develop and adapt HPC applications for the exascale and post-exascale era. Both projects have thus entered their third funding period, which will last for three years.
The new Energy oriented Center of Excellence (EoCoE-III) project holds a central vision to develop comprehensive exascale applications that drive groundbreaking energy science advancements within pivotal low-carbon sectors. A primary objective lies in showcasing the remarkable potential of exascale computing within the energy domain. Firstly, employing a collaborative co-design approach encompassing library developers and HPC technology providers, the project aims to deliver fully functional exascale lighthouse production applications attaining optimal performance on the European exascale infrastructure. This endeavor resonates with objectives emphasizing operational excellence and performance optimization. Secondly, the project aims to underscore the scientific and societal significance of these applications through the execution of five exascale simulations, each illuminating the achievement of significant scientific milestones by harnessing the exascale architecture to its fullest extent.
In EoCoE-III, the Simulation and Data Lab Quantum Materials leads the Work Package 2 (WP2) with the overarching objective of enhancing the libNEGF library, culminating in the creation of a dynamic quantum simulation tool with proficiency in managing optoelectronic hetero-structures based on 2D materials, bolstered by DFT level precision. This advancement encompasses the intricate interplay of factors such as light-carrier interactions, electron-phonon scattering, and the influence of excitonic effects. Realizing this vision necessitates a multifaceted approach: transforming the libNEGF code into a scalable entity capable of seamlessly operating on both pre-exascale and forthcoming exascale systems. This transformation encompasses the development of pioneering algorithms, innovative data distribution strategies, and a repository of platform-aware kernels.
The Centre of Excellence on Performance Optimization and Productivity (POP CoE, https://www.pop-coe.eu ) was launched in October 2015 with the fundamental goal of supporting a broad community of HPC application developers and users in both academia and industry. POP helps them to understand the performance-related problems of their applications and thus improve their efficiency and productivity. This is achieved by providing an external and objective review of code performance for all interested users, providing not only a qualitative but also a quantitative analysis using POP tools and methods. The POP CoE was funded for a second phase (POP2) for further three years in 2018.
The recently started project POP3 continues the extremely successful work of the first two phases. It is divided into three main pillars: services, users and co-design.
The POP services focus mainly on performance assessments with the aim of determining code performance and scaling, identifying the main causes of inefficiency and providing guidance and recommendations for improvement. POP3 also offers higher value services that have been expanded in scope to include proof of concept, energy efficiency and consulting studies. Although POP3 will continue to target all application scales and user types, this project will focus on upscaling applications by evaluating the execution of some so-called flagship applications of other CoEs on the current EuroHPC machines. However, POP3 will continue to provide services to all HPC users to promote efficient use of computing resources.
The aspect of co-design is pursued in two dimensions. Internally in POP3, the tools and methodology will be jointly developed so that all desired applications can be analyzed on the chosen platform at the chosen scale. Externally, POP3 will offer a database of best practices and computational algorithms to other European projects and to all developers of parallel applications. The user pillar consists of the work areas dissemination, user training, customer development and customer satisfaction.
For the project, POP3 is bringing together a consortium of eight European organizations with the necessary expertise in the required technologies and their impact on science, the market and society.
Contact for EoCoE-III: Dr. Edoardo di Napoli
Contact for POP3: Dr.-Ing. Bernd Mohr