List of innnovations by the CoEs, spotted by the EU innovation radar
The EU Innovation Radar aims to identify high-potential innovations and innovators. It is an important source of actionable intelligence on innovations emerging from research and innovation projects funded through European Union programmes.
These are the innovations from the HPC Centres of Excellence as spotted by the EU innovation radar:
Biobb, biomolecular modelling building Blocks
| Title: Biobb, biomolecular modelling building Blocks |
| Market maturity: Exploring |
| Project: BioExcel |
| Innovation Topic: Excellent Science |
| THE UNIVERSITY OF MANCHESTER - UNITED KINGDOM |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
| FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA) - SPAIN |
GROMACS, a versatile package to perform molecular dynamics
| Title: GROMACS, a versatile package to perform molecular dynamics |
| Market maturity: Exploring |
| Project: BioExcel |
| Innovation Topic: Excellent Science |
| KUNGLIGA TEKNISKA HOEGSKOLAN - SWEDEN |
HADDOCK, a versatile information-driven flexible docking approach for the modelling of biomolecular complexes
| Title: HADDOCK, a versatile information-driven flexible docking approach for the modelling of biomolecular complexes |
| Market maturity: Exploring |
| Project: BioExcel |
| Innovation Topic: Excellent Science |
| UNIVERSITEIT UTRECHT - NETHERLANDS |
PMX, a versatile (bio-) molecular structure manipulation package
| Title: PMX, a versatile (bio-) molecular structure manipulation package |
| Market maturity: Exploring |
| Project: BioExcel |
| Innovation Topic: Excellent Science |
| MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV - GERMANY |
Faster Than Real Time (FTRT) environment for high-resolution simulations of earthquake generated tsunamis
| Title: Faster Than Real Time (FTRT) environment for high-resolution simulations of earthquake generated tsunamis |
| Market maturity: Tech ready |
| Market creation potential: High |
| Project: ChEESE |
| Innovation Topic: Excellent Science |
| UNIVERSIDAD DE MALAGA - SPAIN |
| TECHNISCHE UNIVERSITAET MUENCHEN - GERMANY |
| ISTITUTO NAZIONALE DI GEOFISICA E VULCANOLOGIA - ITALY |
Probabilistic Seismic Hazard Assessment (PSHA)
| Title: Probabilistic Seismic Hazard Assessment (PSHA) |
| Market maturity: Exploring |
| Project: ChEESE |
| Innovation Topic: Excellent Science |
| LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN - GERMANY |
| TECHNISCHE UNIVERSITAET MUENCHEN - GERMANY |
| ISTITUTO NAZIONALE DI GEOFISICA E VULCANOLOGIA - ITALY |
Urgent Computing services for the impact assessment in the immediate aftermath of an earthquake
| Title: Urgent Computing services for the impact assessment in the immediate aftermath of an earthquake |
| Market maturity: Tech Ready |
| Market creation potential: High |
| Project: ChEESE |
| Innovation Topic: Excellent Science |
| EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH - SWITZERLAND |
| BULL SAS - FRANCE |
Alya, HemeLB, HemoCell, OpenBF, Palabos-Vertebroplasty simulator, Palabos – Flow Diverter Simulator, BAC, HTMD, Playmolecule, Virtual Assay, CT2S, Insigneo Bone Tissue Suit
| Title: Alya, HemeLB, HemoCell, OpenBF, Palabos-Vertebroplasty simulator, Palabos – Flow Diverter Simulator, BAC, HTMD, Playmolecule, Virtual Assay, CT2S, Insigneo Bone Tissue Suit |
| Market maturity: Exploring |
| Project: CompBioMed |
| Innovation Topic: Excellent Science |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
| UNIVERSITY COLLEGE LONDON - UNITED KINGDOM |
| ACELLERA LABS SL - SPAIN |
E-CAM software repository
| Title: E-CAM software repository |
| Market maturity: Exploring |
| Project: E-CAM |
| Innovation Topic: Excellent Science |
| ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE - SWITZERLAND |
| UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN - IRELAND |
| UNITED KINGDOM RESEARCH AND INNOVATION - UNITED KINGDOM |
E-CAM Training offer on effective use of HPC simulations in quantum chemistry
| Title: E-CAM Training offer on effective use of HPC simulations in quantum chemistry |
| Market maturity: Exploring |
| Project: E-CAM |
| Innovation Topic: Excellent Science |
| ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE - SWITZERLAND |
| UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN - IRELAND |
| FREIE UNIVERSITAET BERLIN - GERMANY |
Improved Simulation Software Packages for Molecular Dynamics
| Title: Improved Simulation Software Packages for Molecular Dynamics |
| Market maturity: Exploring |
| Project: E-CAM |
| Innovation Topic: Excellent Science |
| SCIENCE AND TECHNOLOGY FACILITIES COUNCIL - UNITED KINGDOM |
| TECHNISCHE UNIVERSITAET WIEN - AUSTRIA |
| UNIVERSITEIT VAN AMSTERDAM - NETHERLANDS |
Improved software modules for Meso– and multi–scale modelling
| Title: Improved software modules for Meso– and multi–scale modelling |
| Market maturity: Exploring |
| Project: E-CAM |
| Innovation Topic: Excellent Science |
| MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV - GERMANY |
| FREIE UNIVERSITAET BERLIN - GERMANY |
Code auditing, optimization and performance assessment services for energy-oriented HPC simulations
| Title: Code auditing, optimization and performance assessment services for energy-oriented HPC simulations |
| Market maturity: Exploring |
| Project: EoCoE |
| Innovation Topic: Excellent Science |
| MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV - GERMANY |
| FRAUNHOFER GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. - GERMANY |
Consultancy Services for using HPC Simulations for Energy related applications
| Title: Consultancy Services for using HPC Simulations for Energy related applications |
| Market maturity: Exploring |
| Project: EoCoE |
| Innovation Topic: Excellent Science |
| COMMISSARIAT A L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES - FRANCE |
| FRAUNHOFER GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. - GERMANY |
New coupled earth system model
| Table: New coupled earth system model |
| Market maturity: Tech Ready |
| Project: ESiWACE |
| Innovation Topic: Excellent Science |
| BULL SAS - FRANCE |
| MET OFFICE - UNITED KINGDOM |
| EUROPEAN CENTRE FOR MEDIUM-RANGE WEATHER FORECASTS - UNITED KINGDOM |
AMR capability and Accelerated Computing in AVBP code
| Title:AMR capability and Accelerated Computing in AVBP code |
| Market maturity: Exploring |
| Project: EXCELLERAT |
| Innovation Topic: Excellent Science |
| THE UNIVERSITY OF EDINBURGH - UNITED KINGDOM |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
| CERFACS CENTRE EUROPEEN DE RECHERCHE ET DE FORMATION AVANCEE EN CALCUL SCIENTIFIQUE SOCIETE CIVILE - FRANCE |
AMR capability in Alya code to enable advanced simulation services for engineering
| Title: AMR capability in Alya code to enable advanced simulation services for engineering |
| Market maturity: Tech Ready |
| Project: Excellerat |
| Innovation Topic: Excellent Science |
| THE UNIVERSITY OF EDINBURGH - UNITED KINGDOM |
| KUNGLIGA TEKNISKA HOEGSKOLAN - SWEDEN |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
Data Exchange & Workflow Portal: secure, fast and traceable online data transfer between data generators and HPC centers
| Title: Data Exchange & Workflow Portal: secure, fast and traceable online data transfer between data generators and HPC centers |
| Market maturity: Tech Ready |
| Market creation potential: High |
| Project: Excellerat |
| Innovation Topic: Excellent Science |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
FPGA Acceleration for Exascale Applications based on ALYA and AVBP codes
| Title: FPGA Acceleration for Exascale Applications based on ALYA and AVBP codes |
| Market maturity: Tech Ready |
| Market creation potential: Noteworthy |
| Project: Excellerat |
| Innovation Topic: Excellent Science |
| THE UNIVERSITY OF EDINBURGH - UNITED KINGDOM |
| KUNGLIGA TEKNISKA HOEGSKOLAN - SWEDEN |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
Open source mode decomposition toolkit for exascale data analysis
| Title: Open source mode decomposition toolkit for exascale data analysis |
| Market maturity: Tech Ready |
| Project: Excellerat |
| Innovation Topic: Excellent Science |
| RHEINISCH-WESTFAELISCHE TECHNISCHE HOCHSCHULE AACHEN - GERMANY |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
| SSC SERVICES GMBH - GERMANY |
Use of GASPI to improve performance of CODA
| Title:Use of GASPI to improve performance of CODA |
| Market maturity: Tech Ready |
| Project: Excellerat |
| Innovation Topic: Excellent Science |
| THE UNIVERSITY OF EDINBURGH - UNITED KINGDOM |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
GPU acceleration in TPLS to exploit the GPU-based architectures for Exascale
| Title: GPU acceleration in TPLS to exploit the GPU-based architectures for Exascale |
| Market maturity: Tech Ready |
| Project: Excellerat |
| Innovation Topic: Excellent Science |
| THE UNIVERSITY OF EDINBURGH - UNITED KINGDOM |
| KUNGLIGA TEKNISKA HOEGSKOLAN - SWEDEN |
In-Situ Analysis of CFD Simulations
| Title: In-Situ Analysis of CFD Simulations |
| Market maturity: Tech Ready |
| Market creation potential: High |
| Project: Excellerat |
| Innovation Topic: Excellent Science |
| KUNGLIGA TEKNISKA HOEGSKOLAN - SWEDEN |
| FRAUNHOFER GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. - GERMAN |
Interactive in situ visualization in VR
| Title: Interactive in situ visualization in VR |
| Market maturity: Tech Ready |
| Market creation potential: High |
| Project: Excellerat |
| Innovation Topic: Excellent Science |
| UNIVERSITY OF STUTTGART - GERMANY |
Machine Learning Methods for Computational Fluid Dynamics (CFD) Data
| Title: Machine Learning Methods for Computational Fluid Dynamics (CFD) Data |
| Market maturity: Tech Ready |
| Market creation potential: Noteworthy |
| Project: Excellerat |
| Innovation Topic: Excellent Science |
| KUNGLIGA TEKNISKA HOEGSKOLAN - SWEDEN |
| FRAUNHOFER GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. - GERMAN |
Parallel I/O in TPLS using PETSc library
| Title: Parallel I/O in TPLS using PETSc library |
| Market maturity: Tech Ready |
| Project: Excellerat |
| Innovation Topic: Excellent Science |
| THE UNIVERSITY OF EDINBURGH - UNITED KINGDOM |
| RHEINISCH-WESTFAELISCHE TECHNISCHE HOCHSCHULE AACHEN - GERMANY |
| KUNGLIGA TEKNISKA HOEGSKOLAN - SWEDEN |
Highly scalable Material Science Simulation Codes
| Title: Highly scalable Material Science Simulation Codes |
| Market maturity: Exploring |
| Project: MaX |
| Innovation Topic: Excellent Science |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
| E4 COMPUTER ENGINEERING SPA - ITALY |
Quantum Simulation as a Service
| Title: Quantum Simulation as a Service |
| Market maturity: Exploring |
| Market creation potential: Noteworthy |
| Project: MaX |
| Innovation Topic: Excellent Science |
| EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH - SWITZERLAND |
| CINECA CONSORZIO INTERUNIVERSITARIO - ITALY |
| CLOUDWEAVERS LTD - UNITED KINGDOM |
Simulation Code Optimisation and Scaling
| Title: Simulation Code Optimisation and Scaling |
| Market maturity: Exploring |
| Project: MaX |
| Innovation Topic: Excellent Science |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
| EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH - SWITZERLAND |
Novel Materials Discovery (NOMAD) Repository
| Title: Novel Materials Discovery (NOMAD) Repository |
| Market maturity: Business Ready |
| Project: NoMaD |
| Innovation Topic: Excellent Science |
| MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV - GERMANY |
| HUMBOLDT-UNIVERSITAET ZU BERLIN - GERMANY |
| BAYERISCHE AKADEMIE DER WISSENSCHAFTEN - GERMANY |
NOMAD Encyclopedia Service: allows users to see, compare, explore, and understand computed materials data
| Title: NOMAD Encyclopedia Service: allows users to see, compare, explore, and understand computed materials data |
| Market maturity: Tech Ready |
| Project: NoMaD |
| Innovation Topic: Excellent Science |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
| MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV - GERMANY |
| HUMBOLDT-UNIVERSITAET ZU BERLIN - GERMANY |
An ICT platform prototype for systematically tracing public sentiment, its evolution towards a policy, its components and arguments linked to them
| Title: An ICT platform prototype for systematically tracing public sentiment, its evolution towards a policy, its components and arguments linked to them. |
| Market maturity: Tech Ready |
| Project: NOMAD |
| Innovation Topic: Smart & Sustainable Society |
| ATHENS TECHNOLOGY CENTER ANONYMI BIOMICHANIKI EMPORIKI KAI TECHNIKI ETAIREIA EFARMOGON YPSILIS TECHNOLOGIAS - GREECE |
| NATIONAL CENTER FOR SCIENTIFIC RESEARCH "DEMOKRITOS" - GREECE |
| CRITICAL PUBLICS LTD - UNITED KINGDOM |
Customer-Specific Performance Analysis for Parallel Codes
| Title: Customer-Specific Performance Analysis for Parallel Codes |
| Market maturity: Exploring |
| Project: POP |
| Innovation Topic: Excellent Science |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
| UNIVERSITAET STUTTGART - GERMANY |
Repository of powerful tools (codes, pattern/best-practice descriptions, experimental results) for the HPC community
| Title: Repository of powerful tools (codes, pattern/best-practice descriptions, experimental results) for the HPC community |
| Market maturity: Exploring |
| Project: POP |
| Innovation Topic: Excellent Science |
| BARCELONA SUPERCOMPUTING CENTER - CENTRO NACIONAL DE SUPERCOMPUTACION - SPAIN |
| TERATEC - FRANCE |
Strong scaling performance for human scale blood-flow modelling
A Use Case by 
Short description
To get the best out of future exascale machines, current codes must be able to demonstrate good scaling performance on current machines. The HemeLB code has demonstrated such characteristics to full machine scale on SuperMUC-NG. However, this performance must be aligned with the ability to solve practical problems. We have developed and deployed a self-coupled version of HemeLB that allows us to simultaneously study flows in linked arterial and venous vasculatures in 3D. In this use case, we look towards the application of flow in an arteriovenous fistula. A fistula is created in patients with kidney failure to increase flow in a chosen vein in order to provide an access point for dialysis treatment.
Results & Achievements
In collaboration with POP CoE, we were able to demonstrate HemeLB’s capacity for strong scaling behaviour up to the full production partition of SuperMUC-NG (>300,000 cores) whilst using a non-trivial vascular domain. This highlighted several challenges of running simulations at scale and also identified avenues for us to improve the performance of the HemeLB code.
We’ve also run self-coupled simulations on personalised 3D arteries and veins of the left forearm with and without an arteriovenous fistula being created. The initial flow from our modified model showed good agreement with that seen in a clinical study.
Objectives
The first objective of this use case was to demonstrate and assess the strong scaling performance of HemeLB to the largest core counts possible. This was to enable us to evaluate current performance and identify improvements for future exascale machines. The second main objective was to demonstrate the ability of HemeLB to utilise this performance to study flows on human-scale vasculatures. The combination of both aspects will be essential to enabling the creation of a virtual human able to simulate the specific physiology of an individual for diagnostic purposes and evaluation of potential treatments.
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Video of the Week: POPCast #4: Why Does Code Matter?
10. February 2021
In this POPCast, Jonathan Boyle, an HPC Application Analyst for POP, chats to regular host Fouzhan Hosseini about why code matters, its value to the customer and how POP works with customers to increase that value.
POP Webinar: PyPOP - An Interactive Tool for Performance Assessment
13. December 2020
This live webinar gave an overview of the NAG PyPOP tool and how it can be used to streamline the process of application performance analysis.
Phil Tooley demonstrated the PyPOP analysis workflow, showed how the PyPOP wizard can be used to quickly calculate the POP metrics from captured profiling data and generate a performance report.
New POP CoE blog post: Speedups of a Volcanic Hazard Assessment Code
11. November 2020
Latest blog post by POP CoE – discover how their work on The Probabilistic Volcanic Hazard Assessment Work Flow package (PVHA_WF) led to speedups of around 500x over the total execution time.
The package is a workflow created for the ChEESE CoE Pilot Demonstrator 6 (PD6).
ETP4HPC handbook 2020 released
6. November 2020
The 2020 edition of the ETP4HPC Handbook of HPC projects is available. It offers a comprehensive overview over the European HPC landscape that currently consists of around 50 active projects and initiatives. Amongst these are the 14 Centres of Excellence and FocusCoE, that are also represented in this edition of the handbook.
Visit POP CoE at the digital NAFEMS 2020 conference
5. November 2020
Visit POP CoE’s virtual booth at the NAFEMS 2020 conference and hear Fouzhan Hosseini’s talk on “Parallel Engineering Codes: Performance Optimisation with the POP Methodology” on Tuesday (Nov 9th) afternoon. Registration is free.
EXCELLERAT, MaX and POP at the International CAE Conference 2020
20. October 2020
The three HPC centres of excellence EXCELLERAT, POP and MaX will participate at the 36th edition of the International CAE conference 2020, that will be held online from 30th November until 3rd December 2020.
Under the topic “At the epicentre of the digital transformation of industry”, high-performance computing is a key enabler for this digital transformation and will be presented at a dedicated collateral event on Wednesday, December 2nd at 14:00h CET.
In this session, the technical director of EXCELLERAT Amgad Dessoky will present a session titled “EXCELLERAT: paving the way for the evolution towards Exascale”. The EXCELLERAT activity brings together European experts to establish a Centre of Excellence (CoE) in Engineering Applications on HPC with a broad service portfolio, paving the way for the evolution towards Exascale. The aim is to solve highly complex and costly engineering problems, and create enhanced technological solutions even at the development stage.
In the exhibition, MaX and EXCELLERAT will have a joint virtual booth together to show their latest results. The virtual format makes it possible to interact with both CoEs via video and chat. The booth will visible for three months after the event.
POP CoE will als obe present at the event with a virtual booth to exhibit its latest research results.
