Centres of Excellence in HPC Applications

Ten new Centres of Excellence (CoEs) for computing applications were selected following the recent EC call under e-Infrastructures. They will help strengthen Europe's leadership in HPC applications and cover important areas, providing services such as: developing, optimising (including if needed re-design) and scaling HPC application codes towards peta and exascale computing; testing, validating and maintaining codes and managing the associated data; quality assurance; co-design of hardware, software and codes; consultancy to industry and SMEs; research in HPC applications; and addressing the skills gap in computational science. The project FocusCoE will contribute to the success of the EU HPC Ecosystem and the EuroHPC Initiative by supporting the EU HPC CoEs to more effectively fulfil their role within the ecosystem and initiative. 

A short description of each CoE can be found here:

BioExcel

BioExcel-2

The European Centre of Excellence for Bimolecular Research (BioExcel) is operating towards advancement and support of the HPC software ecosystem in the life science domain. Research and expertise covers structural and functional studies of the main building blocks of living organisms (proteins, DNA, membranes etc.) and techniques for modelling their interactions ranging from quantum to coarse-grained models up to the level of a single cell. Work in the centre is focused on 1) improving the performance and scalability of major simulation packages for more efficient usage of HPC resources, 2) improving the usability of existing and devising new workflows and environments with associated data integration, 3) competence-building among both academia and industry through extensive training programs and promotion of best practices. The CoE consortium is dedicated to establishing the centre as a long-term support structure for the needs of academic/non-profit and industrial users (pharmaceutical, chemical and food industries); ISVs and academic code developers; national and commercial resource providers.
 The evaluation, assessment and forecast of social, economic and ecological developments forms the basis of the Center of Excellence for Global Systems Science (CoeGSS). In order to understand and improve global analyses and evaluations in a more efficient way, the CoeGSS project builds on synthetic populations that reflect the behaviour of the human mankind. Based on static degrees of relationships and the social as well as health habits, an anonymized population dataset including millions or even billions of people will be created. As most of the time, various factors and relations need to be taken into account, the datasets grow drastically and therefore require HPC and in addition, High Performance Data Analytics (HPDA). Thus, bridging the gap between those two paradigms will be one of the key findings of the project..

ChEESE - Centre of Excellence for Exascale in Solid Earth

ChEESE will harness European institutions in charge of operational monitoring networks, tier-0 supercomputing centers, academia, hardware developers and third-parties from SMEs, Industry and public-governance. The scientific ambition is to prepare 10 flagship codes to address Exascale Computing Challenging (ECC) problems on computational seismology, magnetohydrodynamics, physical volcanology, tsunamis, and data analysis and predictive techniques for earthquake and volcano monitoring. ChEESE will promote and facilitate the integration of HPC services to widen the access to codes to the Solid Earth users community. Finally, ChEESE aims at acting as a hub to foster HPC across the Solid Earth Community and related stakeholders and to provide specialized training on services and capacity building measures.

CompBioMed

CompBioMed

Computational Methods, based on human biology, are now reaching maturity in the biomedical domain, rendering predictive models of health and disease increasingly relevant to clinical practice by providing a personalized aspect to treatment. Computer based modelling and simulation is well established in the physical sciences and engineering, where the use of high performance computing (HPC) is now routine. CompBioMed is a user-driven Centre of Excellence in Computational Biomedicine, to nurture and promote the uptake and exploitation of high performance computing within the biomedical modelling community. Our user communities come from academia, industry and clinical practice.

EoCoE

EoCoE-II

The Energy Oriented Center of Excellence (EoCoE) will use the prodigious potential offered by the ever-growing computing infrastructure to foster and accelerate the European transition to a reliable and low carbon energy supply. EoCoE will assist the energy transition via targeted support to four carbon-free energy pillars: Meteorology, Materials, Water and Fusion, each with a heavy reliance on numerical modeling.

These four pillars will be anchored within a strong transversal multidisciplinary basis providing high-end expertise in applied mathematics and HPC.

ESiWACE

ESiWACE2

The Center of Excellence in Simulation of Weather and Climate in Europe (ESiWACE) will substantially improve efficiency and productivity of numerical weather and climate simulation on HPC platforms by supporting the end-to-end workflows in global Earth system modelling for top-of-the-edge HPC environments. This will be obtained by improving and supporting: scalability of models, tools and data management on state-of-the-art supercomputer systems; usability of models and tools throughout the European HPC ecosystem; exploitability of the huge amount of resulting data. By developing solutions for Europe and at European scale, ESiWACE will directly impact on the competitiveness of the European HPC industry by engendering new products, providing opportunities for exploitation beyond the project itself, and by enhancing the skills base of staff in both industry and academia. ESiWACE will be at once thematic, as it focuses on the HPC application domain of climate and weather modeling, transversal, as it covers several aspects of computational science, and challenge-driven, as climate and weather predictability represents a major societal issue.

MaX

EXCELLERAT

The European Centre of Excellence for Engineering Applications EXCELLERAT brings together the necessary European expertise to establish a Centre of Excellence in Engineering with a broad service portfolio, paving the way for the evolution towards EXASCALE. All within the frame of the European HPC Strategy realization just pushed forward with the activities on the EuroHPC Joint Undertaking. To fulfil its mission, EXCELLERAT will base on six carefully chosen reference applications (Nek5000, Alya, AVBP, Fluidity, FEniCS, Flucs), which were analysed on their potential to support the aim to achieve EXASCALE performance in HPC for Engineering. Thus, they are promising candidates to be executed on the Exascale Demonstrators, Pre-Exascale Systems and Exascale Machines.

FocusCoE

FocusCoE will contribute to the success of the EU HPC Ecosystem and the EuroHPC Initiative by supporting the EU HPC CoEs to more effectively fulfil their role within the ecosystem and initiative: ensuring that extreme scale applications result in tangible benefits for addressing scientific, industrial or societal challenges. It will do this by creating an effective platform for the CoEs to coordinate strategic directions and collaboration (addressing possible fragmentation of activities across the CoEs and coordinating interactions with the overall HPC ecosystem) and will provide support services for the CoEs in relation to both industrial outreach and promotion of their services and competences by acting as a focal point for users to discover those services.

MaX

HiDALGO

Developing evidence and understanding concerning Global Challenges and their underlying parameters is rapidly becoming a vital challenge for modern societies. Various examples, such as health care, the transition of green technologies or the evolution of the global climate up to hazards and stress tests for the financial sector demonstrate the complexity of the involved systems and underpin their interdisciplinary as well as their globality. This becomes even more obvious if coupled systems are considered: problem statements and their corresponding parameters are dependent on each other, which results in interconnected simulations with a tremendous overall complexity. Although the process for bringing together the different communities has already started within the Centre of Excellence for Global Systems Science (CoeGSS), the importance of assisted decision making by addressing global, multi-dimensional problems is more important than ever.

MaX

MaX2

The Materials design at Exascale (MaX) center of excellence aims to disenthrall the EU leadership in materials modelling, simulations, discovery and design. Materials are crucial to scientific and technological change and industrial competitiveness, as well as to tackle key societal challenges – from energy and environment, to health care, information and communications, industrial processes and manufacturing, safety and transportation. The increasingly high accuracy and predictive power of computer simulations, combined with the increasingly higher levels of computing and storage capacity of HPC technologies, nowadays enables a paradigm shift in material design and discovery, in which ever increasingly complex material behaviour will be addressed by easily accessible, interdisciplinary, easy-to-use computational experiments. To drive this transition, MaX focuses on creating an ecosystem of capabilities, software applications and data workflows and analysis on HPC-oriented material simulations, designed for present and future HPC architectures. A major effort is on providing training and services for the broader HPC industrial and academic community. Over the next decade HPC systems are expected to be capable of one exaflop (1018 operations per second) and to manage and analyse data sets up to one exabyte (1018 bytes). Imagine a future in which computer simulations are at least 1000 times faster and more workable: new materials, new 3 ideas, new applications will be pushed ahead by an ever-increasing number of scientists, designers and entrepreneurs.

POP

POP2

The Performance Optimization and Productivity (POP) Center of Excellence gathers leading experts in performance tools/analysis and programming models to offer services to the academic and industrial communities to help them better understand the behavior of their applications, suggest the most productive directions for optimizing the performance of the codes and help implementing those transformations in the most productive way. The consortium includes academic and supercomputing centers with a long track record of world class research as well as service companies and associations with leading experience in high performance support services and promotion.