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PRACE 4th Implementation Phase Project

Deliverables

Interim PRACE Training Report

Report on face-to-face training events in the first year of PRACE-4IP

Final PRACE Training Report

Report on all face-to-face training events of PRACE-4IP

Final report on the PRACE HPC Eco-system prototypes operation

Report on the specific operation of the PCP prototypes concerning the high fequency energy measurement and future integration in the PRACE infrastructure

Best Practice Guides for New and Emerging Architectures

Report on final versions of best practice guides, covering process and structure.

Communication and Outreach Report Year 1

Report on completed dissemination and outreach activities in 2015 and updated dissemination plan for 2016

First Report on PRACE 2.0 Development

Report on the project’s support actions to the association in implementing the new model

Update Stakeholder Management in PRACE 2.0

Update of D2.4 including an analysis of EDI and EOSC

Final Report on Collaborations with e-Infrastructures and CoEs

Final report on collaboration with e-Infrastructures and CoE describing the common operational services provided

Management Processes and Tools

Report on actions made to implement excellence management mechanisms

First Annual Report on the PRACE Operational Services

Interim report on the first year of operational services of the PRACE infrastructure

Market and Technology Watch Report Year 1

Summary of results gathered during Year 1 of the project

Periodic Report on Applications Enabling

Interim report on the enabling of applications from Preparatory Access and SHAPE, including information on the relevant calls.

Deployment of Prototypal New Services

Final report on the analysis and development of prototypal new services

Stakeholder Management in PRACE 2.0

Report project’s support for stakeholder management.

Final Communication and Outreach Report

Report on all dissemination and outreach activities

Applications Performance on Accelerators

Report on the performance of accelerated applications and the accelerator benchmark suite, including a comparison of different accelerator classes.

Final Report on the PRACE Operational Services

Final report on the operational services of the PRACE infrastructure

Application and HPC Centre Requirements for Prototyping

Summary of user and HPC centre requirements for future prototyping

Final Report on Applications Enabling

Report on the enabling of applications from Preparatory Access, and SHAPE, including information on the relevant calls.

Applications Performance and Energy Usage

Report on the performance of the UEABS application codes on the PCP prototypes and their energy usage profiles

Analysis of New Services

Preliminary report on the analysis of prototypal new services

Inventory of Links with e-Infrastructures and CoEs

Report on the links with e-Infrastructures and CoE describing the cooperation activities

"HPC Infrastructures Workshop # 7"

"Report on the workshop # 7"

Evaluation of Tools and Techniques for Future Exascale Systems

Report evaluating the tools and techniques using real applications.

Market and Technology Watch Report Year 2

Final summary of results gathered

MooC Pilot for HPC

Report on a pilot run of massively open on-line course (MooC) as a new training method for PRACE.

Second Report on PRACE 2.0 Development

Final report on the project’s support actions to the association in implementing the new model

Inventory of Exascale Tools and Techniques

Report on the requirements of the emerging CoEs.

Best Practices for Prototype Planning and Evaluation

Recommendation for prototyping planning an evaluation and general recommendations for a future PRACE prototype strategy

"HPC Infrastructures Workshop # 6"

"Report on the workshop # 6"

Publications

BOAST

Author(s): Brice Videau, Kevin Pouget, Luigi Genovese, Thierry Deutsch, Dimitri Komatitsch, Frédéric Desprez, Jean-François Méhaut
Published in: The International Journal of High Performance Computing Applications, Issue 32/1, 2017, Page(s) 28-44, ISSN 1094-3420
DOI: 10.1177/1094342017718068

Bridging the Gap Between OpenMP and Task-Based Runtime Systems for the Fast Multipole Method

Author(s): Emmanuel Agullo, Olivier Aumage, Berenger Bramas, Olivier Coulaud, Samuel Pitoiset
Published in: IEEE Transactions on Parallel and Distributed Systems, Issue 28/10, 2017, Page(s) 2794-2807, ISSN 1045-9219
DOI: 10.1109/TPDS.2017.2697857

Locality-Aware Parallel Sparse Matrix-Vector and Matrix-Transpose-Vector Multiplication on Many-Core Processors

Author(s): M. Ozan Karsavuran, Kadir Akbudak, Cevdet Aykanat
Published in: IEEE Transactions on Parallel and Distributed Systems, Issue 27/6, 2016, Page(s) 1713-1726, ISSN 1045-9219
DOI: 10.1109/TPDS.2015.2453970

BSC Best Practices in Professional Training and Teaching for the HPC Ecosystem

Author(s): Maria-Ribera Sancho
Published in: Journal of Computational Science, 2015, ISSN 1877-7503
DOI: 10.1016/j.jocs.2015.12.004

“Summer of HPC: an opportunity for future scientists in Europe”

Author(s): Roberto Orosei, Istituto Nazionale di Astrofisica di Bologna, Leon Kocjancˇicˇ, University of Ljubljana, Slovenia, Michele Migliore, CNR Palermo, Cem Benar, Ozyegin University, Turkey
Published in: CINECA Magazine, Issue Nr 2, 2015, ISSN 2421-549X
DOI: 10.1388/magazine-02-Rivista

Parallel subdomain coupling for non-matching mesh problems in ALYA

Author(s): Beatriz Eguzkitza, Guillaume Houzeaux, Juan Carlos Cajas
Published in: 2015

Numerical simulation of complex turbulent flows with Discontinuous Galerkin method

Author(s): Antonella Abba, Andrew Emerson, Matteo Tugnoli, Michele Nini , Marco Restelli
Published in: 2015

Description of the initial accelerator benchmark suite

Author(s): """Gabriel Hautreux , Dimitris Dellis, Chandan Basu, Arno Proeme,Charles Moulinec, Andrew Sunderland, Alan Gray, Vali Codreanu, Andrew Emerson, Beatriz Eguzkitza, Janko Strassburg, Martti Louhivuori "
Published in: 2016

High Performance Processing Chain - faster on‐line statistics calculation

Author(s): Lola FALLETTI, Sylvie THEROND, Yves MOISAN, Youen KERVELLA
Published in: 2016

HPC-based Design of a Novel Electromagnetic Stirrer for Steel Casting

Author(s): Isabella Mazza, Cristiano Persi, Andrea Santoro), Ahmet Duran, Yakup Hundur, Mehmet Tuncel
Published in: 2016

RAPHI: Rarefied Flow Simulations on Xeon Phi Architecture

Author(s): Haysam Telib, Marco Cisternino, Vittorio Ruggiero, Florian Bernard
Published in: 2016

Parallel multi-code coupling for Fluid-Structure Interaction in Wind Energy Generation

Author(s): J.C. Cajas, M. De Mier, G. Houzeaux, D.J. Yáñez
Published in: 2016

Parallelization and optimization of a plant growing model with Cybeletech

Author(s): Bertrand CIROU, Diane Fernandez , Gabriel Hautreux, Denis Wouters
Published in: 2016

SHAPE Project Ingenieurbüro Tobias Loose: HPCWelding: Parallelized Welding Analysis with LS-DYNA

Author(s): T. Loose, M. Bernreuther, B. Große-Wöhrmann, J.Hertzer, U. Göhner
Published in: 2016

Coupled sail and appendage design method for multihull based on numerical optimization

Author(s): Ubaldo Cella, Raffaele Ponzini, Francesco Salvadore
Published in: 2016

SHAPE Project Hydros Innovation: Automatic Optimal Hull Design by Means of VPP Applications on HPC Platforms

Author(s): S. Dyen, Hydros Innovation; A. Lukowski, Hydros Innovation; R. Ponzini, CINECA
Published in: 2016

Optimizing UCNS3D, an High-Order finite-Volume WENO Scheme Code for arbitrary unstructured Meshes

Author(s): Thomas Ponweiser, Panagiotis Tsoutsanis
Published in: 2016

Enabling Space Filling Curves parallel mesh partitioning in Alya

Author(s): Ricard Borrell, Juan Carlos Cajas, Guillaume Houzeaux and Mariano Vazquez
Published in: 2017

Parallel I/O implementation in Hybrid Molecular Dynamics-Self Consistent Field OCCAM code using fpioLib library

Author(s): Chandan Basu, Antonio De Nicola,Giuseppe Milano
Published in: 2016

Particle transport in a fluid interacting with an immersed body with Alya

Author(s): Beatriz Eguzkitza, Guillaume Houzeaux, Juan Carlos Cajas, Simone Marras, Mónica de Mier, Mariano Vázquez
Published in: 2017

Parallel curved mesh subdivision for flow simulation on curved topographies

Author(s): Abel Gargallo-Peiró, Herbert Owen, Guillaume Houzeaux and Xevi Roca
Published in: 2017

Cooling – making efficient choices (Update 2016)

Author(s): Radosław Januszewski (PSNC)
Published in: 2017

Data Centre Infrastructure Monitoring

Author(s): Norbert Meyer (PSNC)
Published in: 2017

Reducing latency and bandwidth costs in parallel sparse linear solvers

Author(s): Oguz Selvitopi (Bilkent), Cevdet Aykanat (Bilkent)
Published in: 2017

High order finite element schemes and domain decomposition solvers for large-scale simulations in electromagnetics

Author(s): Emmanuel Agullo (Inria Bordeaux), Luc Giraud (Inria Bordeaux), Matthieu Kuhn (Inria Bordeaux), Stéphane Lanteri (Inria Sophia Antipolis), Ludovic Moya (Inria Sophia Antipolis), Jean Roman (Inria Bordeaux), Olivier Rouchon (CINES)
Published in: 2017

Hybrid iterative-direct solution strategy for improving the scalability of nuclear waste management simulations

Author(s): Emmanuel Agullo (Inria Bordeaux), Luc Giraud (Inria Bordeaux), Matias Hastaran (Inria Bordeaux), Stéphane Lanteri (Inria Sophia Antipolis), Laurent Loth(ANDRA), Ludovic Moya (Inria Sophia Antipolis), Florent Pruvost (Inria Bordeaux), Jean Roman (Inria Bordeaux), Olivier Rouchon (CINES)
Published in: 2017

Using GPU accelerators for improving performance and scalability in material physics simulations

Author(s): Mariusz Hruszowiec (WCSS), Paweł Potasz (PWR), Agnieszka Szymańska-Kwiecień (WCSS), Mariusz Uchroński (WCSS)
Published in: 2017

Parallel I/O Performance Benchmarking and Investigation on Multiple HPC Architectures

Author(s): Bryan Lawrence (Reading), Chris Maynard (Met Office, UK), Andy Turner (EPCC), Xu Guo (EPCC), Dominic Sloan-Murphy (EPCC)
Published in: 2017

Stellar Atmosphere Simulation code Bifrost on Intel Xeon Phi Knights Landing

Author(s): Mikolaj Szydlarski (UIO), Vegard Eide (NTNU)
Published in: 2017

GPU Simulations of Violent Flows with Smooth Particle Hydrodynamics (SPH) Method

Author(s): T. Arslan (NTNU), M. Özbulut (Sabanci)
Published in: 2017

Performance portability of OpenCL with application to Neural Networks

Author(s): Jan Christian Meyer (NTNU), Benjamin Adric Dunn (NTNU)
Published in: 2017

Study of Xeon Phi Performance of a Molecular Dynamics Proxy Application

Author(s): Benjamin Andreassen Bjørnseth (NTNU), Jan Christian Meyer (NTNU), Lasse Natvig (NTNU)
Published in: 2017

A System for Energy Measurement on Accelerators (SEMA)

Author(s): Servesh Muralidharan (ICHEC), Michael Lysaght (ICHEC)
Published in: 2017

Optimization of IFS Subroutine LAITRI on Intel Knights Landing

Author(s): Oisín Robinson (ICHEC), Alastair McKinstry(ICHEC), Michael Lysaght (ICHEC)
Published in: 2017

Profiling and Tracing Tools for Performance Analysis of Large Scale Applications

Author(s): Jerry Eriksson (HPC2N), Pedro Ojeda-May (HPC2N), Thomas Ponweiser (RISC),Thomas Steinreiter (RISC)
Published in: 2017

Gabriel 1.3: a Fortran library for fast, verified and convenient message passing

Author(s): John Donners (SURFsara)
Published in: 2017

Investigating and Exploiting Application Dynamism For Energy-Efficient Exascale Computing

Author(s): Venkatesh Kannan (ICHEC), Lubomír Ríha (VŠB-TUO), Michael Gerndt (TUM), Anamika Chowdhury (TUM), Ondrej Vysocky (VŠB-TUO), Martin Beseda (VŠB-TUO), Horák David (VŠB-TUO), Radim Sojka (VŠB-TUO), Jakub Kruzik (VŠB-TUO), Michael Lysaght (ICHEC)
Published in: 2017

Characterization and optimization of sparse computations on Intel Xeon Phi

Author(s): Athena Elafrou (NTUA), Georgios Goumas (NTUA)
Published in: 2017

Deploying remote visualization services in HPC environment: recipes for an Open Source software stack

Author(s): Luigi Calori, Roberto Mucci, Filip Stanek
Published in: 2017

Revisiting HTTP for bulk file transfer over high latency network links.

Author(s): Fabio Hernandez
Published in: 2017

Portable and flexible framework for in-memory data packaging and transfer

Author(s): Marcin Krotkiewski, Andreas Panteli
Published in: 2017

Using gsatellite for data intensive procedures between large-scale scientific instruments and HPC

Author(s): Zoltan Kiss, Nevena Ilieva-Litova
Published in: 2017

Dealing with small files in HPC environments: automatic loop-back mounting of disk images

Author(s): Marcin Krotkiewski
Published in: 2017

Urgent Computing service in PRACE Research Infrastructure

Author(s): Miroslaw Kupczyk, Huub Stoffers, Niall Wilson, Felip Moll, Damian Kaliszan
Published in: 2017

FDD Engitec S.L.: Pressure drop simulation for a compressed gas closed system

Author(s): Mónica De Mier Torrecilla, Mariano Vasquez
Published in: 2017

BAC Engineering Consultancy Group (Spain): Numerical simulation of accidental fires with a spillage of oil in large buildings

Author(s): Claudio Arlandini
Published in: 2017

Airinnova: Automation of High Fidelity CFD Analysis in Aerodynamic Design

Author(s): Mengmeng Zhang, Jing Gong, Michaela Barth, Lilit Axner
Published in: 2017

SHAPE Project ACOBIOM - CINES Partnership: MARS: Matrix of RNA-Seq

Author(s): David Piquemal, Victor Cameo Ponz, Bertrand Cirou
Published in: 2017

WB-Sails: Modeling sail boat performance in HPC Authors to contact

Author(s): Jussi Heikonen (jussi.heikonen@csc.fi)
Published in: 2017

Pharmacelera S.L.: HPC methodologies for PharmScreen

Author(s): Thomas Ponweiser
Published in: 2017

Principia: HPC for Hydrodynamics database creation

Author(s): Victor Cameo Ponz, Bertrand Cirou
Published in: 2017

ALGO'TECH INFORMATIQUE: Electrical design enabled by high performance linear algebra

Author(s): Pierre Ramet
Published in: 2017

SHAPE Project Anemos SRL, SUNSTAR Simulation of UNSteady Turbulent flows for the AeRospace industry

Author(s): Sergio Pirozzoli, Vittorio Ruggiero
Published in: 2017

"AmpliSIM: ""DemocraSIM, enable air quality simulation as a commodity"" "

Author(s): Olivier OLDRINI, AmpliSIM, Sylvie PERDRIEL, AmpliSIM, Isabelle DUPAYS, IDRIS, Sylvie THEROND, IDRIS
Published in: 2017

GEANT4 on Large Intel Xeon Phi Clusters: Service Implementation and Performance

Author(s): Nevena Ilievaa; Borislav Pavlov; Peicho Petkov; Leandar Litov, NCSA-BG
Published in: 2017

D2.3 Management Processes and Tools

Author(s): Oriol Pineda, BSC; Iñigo Yenes, PRACE aisbl
Published in: 2017

D2.2 Second Report on PRACE 2.0 Development

Author(s): Philippe Segers, GENCI; Veronica Teodor, Juelich
Published in: 2017

D2.1 First Report on PRACE 2.0 Development

Author(s): Veronica Teodor, FZJ; Philippe Segers, GENCI
Published in: 2016

D4.4 MOOC Pilot for HPC

Author(s): Eli Shmueli, IUCC
Published in: 2017

D4.1 Interim PRACE Training Report

Author(s): Ioannis Liabotis, GRNET
Published in: 2016

D3.2 Communication and Outreach Report Year 1

Author(s): Emma Hogan, ICHEC
Published in: 2016

D2.4 Stakeholder Management in PRACE 2.0

Author(s): Jean-Philippe Nominé, CEA; Philippe Segers, GENCI
Published in: 2017

D4.2 Final Report on Training Activities

Author(s): Jussi Enkovaara, CSC, Ioannis Liabotis, GRNET, Simon Wong, ICHEC, Eli Shmueli, IUCC
Published in: 2017

D3.3 Final Communication and Outreach report

Author(s): Marjolein Oorsprong, PRACE aisbl
Published in: 2017

"D5.3 HPC Infrastructures Workshop #7"

Author(s): Huub Stoffers, SURFsara
Published in: 2016

D5.1 Market and Technology Watch Report Year 1

Author(s): Jean-Philippe Nominé, CEA
Published in: 2016

D5.2 Market and Technology Watch Report Year 2. Final summary of results gathered

Author(s): Ioannis Liabotis, GRNET
Published in: 2017

D5.6 Best Practices for Prototype Planning and Evaluation

Author(s): Michael Ott (BADW-LRZ), Jeanette Wilde (BADW-LRZ), Torsten Wilde (BADW-LRZ), Hayk Shoukourian (BADW-LRZ), Carlo Cavazzoni (CINECA), Radek Januszewski (PSNC), Giannis Koutsou (CYI)
Published in: 2017

D5.5 Application and HPC Centre Requirements for Prototyping

Author(s): Michael Ott, BADW-LRZ
Published in: 2016

D6.5 Inventory of links with e-Infrastructures and CoEs

Author(s): Stéphane Coutin, CINES; Jules Wolfrat, SURFsara
Published in: 2015

D7.2 Final Report on Applications Enabling

Author(s): Paul Graham, EPCC; Sebastian Lührs, JUELICH
Published in: 2017

D7.4 Evaluation of Tools and Techniques for Future Exascale Systems

Author(s): Buket Benek Gursoy, ICHEC; Michael Browne, ICHEC; Michael Lysaght, ICHEC
Published in: 2017

D6.6 Final Report on Collaborations with e-Infrastructures and CoEs

Author(s): Stéphane Coutin, CINES
Published in: 2017

D6.2 Final Report on the PRACE Operational Services

Author(s): Giovanni Erbacci, CINECA, Miroslaw Kupczyk, PSNC
Published in: 2017

D7.5 Application performance on accelerators

Author(s): Victor Cameo Ponz, CINES
Published in: 2017

D7.1 Periodic Report on Applications Enabling

Author(s): Paul Graham, EPCC; Sebastian Lührs, JUELICH
Published in: 2016

D7.6 Best Practice Guides for New and Emerging Architectures

Author(s): Volker Weinberg, BADW-LRZ; Alan Gray, EPCC; Ole Widar Saastad, UiO
Published in: 2017

D6.4 Deployment of Prototypal New Services

Author(s): Luigi Calori, CINECA; Marcin Krotkiewski, UiO; Miroslaw Kupczyk, PSNC; Felip Moll, BSC; Janez Povh, ULFME
Published in: 2017

D6.3 Analysis of New Services

Author(s): Janez Povh, Andrej Kastrin, FIS; Miroslaw Kupczyk, PSNC; Luigi Calori, CINECA; Marcin Krotkiewski, UiO; Felip Moll, BSC; Andreas Panteli, CaSToRC; Zoltan Kiss, NIIF; Nevena Ilieva-Litova, NCSA
Published in: 2015

D6.1 First Annual Report on the PRACE Operational Services

Author(s): Giovanni Erbacci, CINECA; Miroslaw Kupczyk, PSNC
Published in: 2016

D7.3 Inventory of Exascale Tools and Techniques

Author(s): Nicola Mc Donnell, ICHEC
Published in: 2016

PI and Open MP

Author(s): Dr. Guy Tel-Zur
Published in: PRACE 2017 Winter School-Tel Aviv Fuelling Scientific Discovery with HPC Infrastructure, 2017

Parallel I/O

Author(s): Dr. Sebastian Lührs
Published in: PRACE 2017 Winter School-Tel Aviv Fuelling Scientific Discovery with HPC Infrastructure, 2017

LAMMPS

Author(s): Prof. Dan Mordehai
Published in: PRACE 2017 Winter School-Tel Aviv Fuelling Scientific Discovery with HPC Infrastructure, 2017

Multiprocessing in Python at Node & Cluster Level and cluster level

Author(s): Mr. Mordechai Butrashvily
Published in: PRACE 2017 Winter School-Tel Aviv Fuelling Scientific Discovery with HPC Infrastructure, 2017

Performance Analysis & Tuning

Author(s): Dr. Bernd Mohr
Published in: PRACE 2017 Winter School-Tel Aviv Fuelling Scientific Discovery with HPC Infrastructure, 2017

GPU algorithm design: GPU architecture and programming and methods for adapting algorithms for efficient GPU utilization

Author(s): Prof. Dennis Rapaport
Published in: PRACE 2017 Winter School-Tel Aviv Fuelling Scientific Discovery with HPC Infrastructure, 2017

GPU

Author(s): Dr. Jan H. Meinke
Published in: PRACE 2017 Winter School-Tel Aviv Fuelling Scientific Discovery with HPC Infrastructure, 2017

Parallel I/O_2

Author(s): Dr. Sebastian Lührs
Published in: PRACE 2017 Winter School-Tel Aviv Fuelling Scientific Discovery with HPC Infrastructure, 2017

Intel Xeon Phi

Author(s): Dr. Jan Meinke
Published in: PRACE 2017 Winter School-Tel Aviv Fuelling Scientific Discovery with HPC Infrastructure, 2017

Virtual Reality and Visualisation in the Context of HPC Applications

Author(s): Christoph Anthes
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

Module 2a: Parallel Programming

Author(s): Michael Hava, Bernhard Gruber, Thomas Ponweiser
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

Module 4a: Tools for Performance Analysis

Author(s): Thomas Ponweiser, Sandra Mendez
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

Direct Numerical Simulation of a Compressible Channel Flow: Automatic Code Generation Using Computer Algebra and Parallel Implementation in OpenMP

Author(s): Bernhard Manhartsgruber
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

Lattice Boltzmann Methods on the Way to Exascale

Author(s): Ulrich Rüde
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

Will we Live to a Zeta Machine? Development and Implementation of Scalable and Energy Efficient Algorithms

Author(s): David Horak
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

Module 3b: PetSC Tutorial

Author(s): Vaclav Hapla, David Horak, Radim Sojka
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

Module 4b: Advanced Parallel Programming

Author(s): Alexander Leutgeb
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

High Performance Computing @ LRZ

Author(s): Volker Weinberg
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

Module 2b: Intel Xeon Phi Programming

Author(s): Volker Weinberg
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

Module 3a: Parallel I/O

Author(s): Sandra Mendez
Published in: PRACE Autumn School 2016, Hagenberg, Austria, September 27-30, 2016, 2016

Performance Optimisation and Productivity

Author(s): Dirk Schmidl
Published in: Performance Optimization and Productivity Tutorial, 2017

Understanding applications with Paraver

Author(s): Judit Gimenez
Published in: Performance Optimization and Productivity Tutorial, 2016

k-Wave Performance Audit

Author(s): Michael Knobloch, Brian Wylie
Published in: Performance Optimization and Productivity Tutorial, 2016

Performance audit - NGA

Author(s): Aamer Shah
Published in: Performance Optimization and Productivity Tutorial, 2016

User Library Wrapping for Score-P

Author(s): Ronny Brendel, Bert Wesarg, Sebastian Öste
Published in: Performance Optimization and Productivity Tutorial, 2017

Molecular simulation in the exascale era




Overview of QuantumEspresso




MPI overview




OpenMP overview




Introduction to parallel programming concepts




Atomic simulation environment




Numerical Libraries




Overview of CP2K




Simulations from first principles




Overview of DL_POLY




Introduction to Parallel and Scalable Machine Learning – Parallelization Benefits

Author(s): Morris Riedel
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Introduction to Deep Learning with Convolutional Neural Networks & Applications

Author(s): Morris Riedel
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

SESAME an International Research lab

Author(s): Salman Matalgah
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

The VI-SEEM EU E-Infrastructures Project

Author(s): Andreas Athenodorou
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

GPU Accelerator Programming

Author(s): Kyriacos Hadjiyiannakou
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Introduction to Parallel and Scalable Machine Learning – Basics

Author(s): Morris Riedel
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

PRACE Network and Monitoring Issues

Author(s): Ralph Niederberger
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

The OPEN SESAME Horizon2020 project

Author(s): Mitchell Peter Edward
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

HPC and Big Data – Use Cases from the VI-SEEM project - Climate Community

Author(s): Theodoros Christoudias
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

System Monitoring

Author(s): Brett Bode
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

HPC and Big Data – Use Cases from the VI-SEEM project - Digital Cultural Heritage Community

Author(s): Georgios Artopoulos
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

HPC and Big Data – Use Cases from the VI-SEEM project - Life Sciences Scientific Community

Author(s): Zoe Cournia
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Data Services

Author(s): Brett Bode
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Xeon Phi Accelerator Programming

Author(s): Jacob Finkenrath
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Data Visualisation

Author(s): Roberto Sisneros
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Modern Scientific Software Management using EasyBuild & co

Author(s): Kenneth Hoste
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Biomedical Research and Future Challenges - Using Supercomputers for Computer Modeling of Biomolecules & Drug Design

Author(s): Zoe Cournia
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Security Aspects of HPC Centers: Securing HPC Environments

Author(s): Alexander Withers
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Data Management Plans – EUDAT best practices and case study

Author(s): Stéphane Coutin
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Cloud Services - OpenStack

Author(s): Philip Paul Hofstad , Gaetano Pastore , David Power
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Introduction to Parallel and Scalable Machine Learning – Parallelization Benefits_Video

Author(s): Morris Riedel
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Introduction to Parallel and Scalable Machine Learning – Basics_

Author(s): Morris Riedel
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

CUDA Tools for Debugging and Profiling

Author(s): Jan Meinke
Published in: PRACE 2017 Winter School-Tel Aviv-Fuelling Scientific Discovery with HPC Infrastructure, 2017

Performance Analysis & Tuning

Author(s): Bernd Mohr
Published in: PRACE 2017 Winter School-Tel Aviv-Fuelling Scientific Discovery with HPC Infrastructure, 2017

Matrix Multiplication with CUDA

Author(s): Jan Meinke
Published in: PRACE 2017 Winter School-Tel Aviv-Fuelling Scientific Discovery with HPC Infrastructure, 2017

Introduction to Deep Learning with Convolutional Neural Networks & Applications_Videos

Author(s): Morris Riedel
Published in: PRACE 2017 Spring School joint event with VI-SEEM, Cyprus - System Administration and Data/Computational Services for Scientific Communities, 2017

Intel Xeon Phi Knights Landing

Author(s): Jan Meinke
Published in: PRACE 2017 Winter School-Tel Aviv-Fuelling Scientific Discovery with HPC Infrastructure, 2017

GPGPU

Author(s): Jan Meinke
Published in: PRACE 2017 Winter School-Tel Aviv-Fuelling Scientific Discovery with HPC Infrastructure, 2017

PRACE and it objectives

Author(s): Thomas Lippert, FZJ
Published in: Newspaper in Bulgaria “168 hours”, 2015

"D5.3 HPC Infrastructures Workshop # 6"

Author(s): Francois Robin, CEA, France
Published in: 2015

EXPLICITLY CORRELATED MP2 METHOD BASED ON OPTIMIZED THOULESS EXPANSION, poster presentation ORBITAL RELAXATION VIA OPTIMIZED THOULESS EXPANSION, oral presentation




The present and future of the European HPC infrastructure

Author(s): Tamas Maray, NIIF, Hungary
Published in: Networkshop 2015 Conference (Program), 2015

PRACE - our part in the European HPC infrastructure

Author(s): Zoltan Kiss, NIIF, Hungary
Published in: Networkshop 2015 Conference (Program), 2015

Optimising Performance of the HPC electron collisions R-matrix code PFARM on the Intel Xeon Phi

Author(s): Andrew Sunderland, Martin Plummer, Greg Corbett (all STFC), Michael Lysaght (ICHEC)
Published in: Emerging Technology (EMiT) Conference 2015, 2015, Page(s) 55

“Optimizing right communication cost metrics to scale sparse kernels on distributed memory systems”

Author(s): Cevdet Aykanat, Bilkent University, Ankara, Turkey
Published in: at High Performance Computing in Science and Engineering (HPCSE 2015), 2015

“Hypergraph models to reorder sparse matrices into special forms for efficient matrix computations”

Author(s): Cevdet Aykanat, Bilkent University, Ankara, Turkey
Published in: The 8th International Congress on on Industrial and Applied Mathematics (ICIAM 2015), Program and Abstracts, 2015, Page(s) 204

“Supercomputers: from the Nobel Prizes to the high-speed trains (5 years PRACE)” (public lecture) “Bulgaria in PRACE” (public lecture)

Author(s): Stoyan Markov, NCSA-BG Nevena Ilieva, NCSA-BG
Published in: Sofia Science Festival, The Programme, 2015, Page(s) 14

Exploiting Sparsity in Parallel Sparse Matrix-Matrix Multiplication” in Minisymposium Sparse Matrix-Matrix Multiplication: Applications, Algorithms, and Implementations of SIAM Conference on Linear Algebra

Author(s): Kadir Akbudak, Oguz Selvitopi, and Cevdet Aykanat, Bilkent University, Turkey
Published in: Conference Abstracts Booklet: SIAM Conference on Applied Linear Algebra, 2015

“PRACE – Partnership for advanced computing in Europe”

Author(s): Thomas Ponweiser, RISC Software, Austria
Published in: Austrian HPC Meeting 2016 - AHPC16, 2016

Laboratory for Advanced Computing (UC-LCA)

Author(s): Pedro Alberto, UC-LCA
Published in: Portuguese Roadmap of Scientific Infrastructures 2014-2020, 2015, Page(s) 83

Datasets

UCNS3D v1.0.0 TEST problems

Author(s): Panagiotis Tsoutsanis,Antonis Foivos Antoniadis
Published in: Zenodo