Page a 12:38 15/04/03 02Supercompu for pdf (131) Commission European Community research Project repor t High-Performance Computing RESEARCH INFRASTRUCTURES ,, yy ,, y,yy y, ,,y,,, ,, y,yy ,, y,yy yy ,yyy ,, y,yy ,, ,,y,yy ,, yy ,y,, ,yyy ,, y,yy y,yy ,, y,yy ,, ,,y, y,yy ,,y,yy y,yy ,, yy ,y,, yy ,y,, ,, ,yyy y,yy ,, ,, y,yy yy ,y,, yy ,y,, ,yyy y,yy ,,,yyy y,yy ,, ,,y, ,, y,,, ,, y,yy y,yy ,,y,yy ,yyy ,, yy yy ,y,, ,yyy ,,,y ,, y,yy ,,y,yy y,yy ,, ,, y,yy ,, y,yy ,, y,yy y, ,, ,yyy ,, y,yy ,, y,yy IMPROVING THE HUMAN RESEARCH POTENTIAL AND THE SOCIO-ECONOMIC KNOWLEDGE BASE 02Supercompu for pdf (131) 15/04/03 12:38 Page b Interested in European research? RTD info is our quarterly magazine keeping you in touch with main developments (results, programmes, events, etc.). It is available in English, French and German. A free sample copy or a free subscription can be obtained from: Directorate-General for Research Communication Unit European Commission Rue de la Loi/Wetstraat 200 B-1049 Brussels Fax (32-2) 29-58220 E-mail: [email protected] Internet: http://europa.eu.int/comm/research/rtdinfo.html EUROPEAN COMMISSION Directorate-General for Research Programme: ‘Improving the human research potential and the socio-economic knowledge base’ Contact: C. Warden European Commission Rue de la Loi/Wetstraat 200 (SDME 4/36) B-1049 Brussels Fax (32-2) 29-63270 E-mail: [email protected] Website: http://www.cordis.lu/improving 02Supercompu for pdf (131) 15/04/03 12:38 Page 1 European Commission Research Infrastructures High-Performance Computing The European Round-Table on High-Performance Computing by Alison Kennedy, Round-Table Coordinator Editor: Campbell Warden (European Commission) Improving the human research potential and the socio-economic knowledge base Directorate-General for Research 02Supercompu for pdf (131) 15/04/03 12:38 Page 2 LEGAL NOTICE Neither the European Commission nor any person acting on behalf of the Commission is responsible for the use which might be made of the following information. A great deal of additional information on the European Union is available on the Internet. It can be accessed through the Europa server (http://europa.eu.int). Cataloguing data can be found at the end of this publication. Luxembourg: Office for Official Publications of the European Communities, 2000 ISBN 92-894-0027-7 © European Communities, 2000 Reproduction is authorised provided the source is acknowledged. Printed in Belgium PRINTED ON WHITE CHLORINE-FREE PAPER 02Supercompu for pdf (131) 15/04/03 12:38 Page 3 Table of Contents Page 5 FOREWORD 7 EXECUTIVE SUMMARY 9 INTRODUCTION 11 PROFILE OF THE PARTNERS 13 THE ACHIEVEMENTS OF THE NETWORK 13 20 22 22 1. Researchers' Access to LSF (TRACS, ICARUS, ACCESS) 2. Data Storage, Management and Data Interoperability Enterprise Groups 3. Visualisation and Emerging Computing Techniques Enterprise Group 4. DIRECT User Questionnaire and Strategic Review of High Performance Computing in Europe – "Where is European HPC going" 5. Meetings and Workshops 6. DIRECTIONS Electronic Newsletter 7. DIRECT Web Site 23 THE FUTURE 24 LOCATION AND DATA OF DIRECT NETWORK 26 ACCESS TO RESEARCH INFRASTRUCTURES 16 17 19 3 02Supercompu for pdf (131) 15/04/03 12:38 Page 4 CAMRA, a non-invasive heart diagnostic tool, has been developed by EPCC in collaboration with some of Europe's leading hospitals, under the auspices of Technology Transfer Programme, initiated and supported by the EC. 4 02Supercompu for pdf (131) 15/04/03 12:38 Page 5 FOREWORD Many fields of European research are underpinned by access to world-class research infrastructures. However, the majority of such facilities are owned by National Government agencies and are open mainly to their national user community. In view of this, successive editions of the ‘Framework Programme’ (FP) for Community R&D have supported transnational access to a selected group of outstanding research infrastructures. This has been widened to include the funding of a series of Round-Tables which have brought together the operators and representatives of the user community in a particular class of facilities around a common research theme, in this case High-Performance Computing. These Round-Tables have been much more effective than ‘usual’ interactions between scientists because they have guaranteed the participation of the full range of institutional facilities and the representatives of the users, avoiding obvious problems of narrow or partisan actions. Their mission has focused on finding and implementing the solutions to problems of common interest and seeding new transnational collaborations. As scientists have become familiar with the use of computer simulation they have attempted to solve larger and more complex problems. Paradoxically, the increase in availability of powerful desktop facilities has stimulated demand for access to state-of-the-art supercomputers in order to tackle those problems that are too big or too complex to run on conventional computers. However, supercomputers remain extremely expensive to buy and to operate, with the majority of facilities being run nationally, and offering little or no access to non-national researchers. Many researchers in industry and academia do not yet have easy access to supercomputing facilities. The Human Capital and Mobility (HCM) and Training and Mobility of Researchers (TMR) Programmes have supported Transnational Access and have enabled researchers from all over Europe to make use of state-of-the-art facilities. This funding is continuing through the EC’s Improving Human Potential (IHP) programme, in particular the Enhancing Access to Research Infrastructures action, which supports research visits to a small number of world-class Research Infrastructures in Europe. This brochure has been prepared by the Coordinator of the Round-Table for High-Performance Computing and it aims to provide useful information both to the researchers active in this field and to those responsible for developing new research infrastructure in this area. I am very pleased to present this excellent example of how multi-national research co-operation has developed for those who are working in fields where such a highly developed culture of cross-border co-operation does not yet normally exist. The EC wishes to continue to encourage such development. Therefore it will make available during the period 2000-2003 at least 180 million Euro to support top-class research infrastructure through the activity ‘Enhancing Access to Research Infrastructures’ within FP 5. Manuela Soares Acting Director Improving the Human Research Potential and the Socio-economic Knowledge Base 5 02Supercompu for pdf (131) 6 15/04/03 12:38 Page 6 02Supercompu for pdf (131) 15/04/03 12:38 Page 7 EXECUTIVE SUMMARY The desktop computer of today contains as much power as the largest supercomputer of only a decade ago. European researchers have already taken advantage of the increased availability of computing power to turn to computer modelling and computer simulation in an ever-increasing range of applications areas. Traditional research methods such as analysis and observation have limitations when scientists are investigating large-scale phenomena. Computational research makes it possible to study problems which are beyond the reach of the traditional methods alone or which cannot be controlled or reproduced in the laboratory. European supercomputing centres host a range of exceptionally powerful hardware resources and leading edge computing technologies, which constitute an enormous potential for future research and development. As the number of researchers who use supercomputers increases, and the application areas broaden, so the demand for access to these facilities is growing. The European Community realises the vital importance of the role which supercomputing centres play in European research. It is committed to offering access to the best in High-Performance Computing (HPC) to all European users, particularly to those users who do not have routine access to state-of-the-art computers in a national facility in the country in which they work. DIRECT, a Round-Table in High Performance Computing and Networking, supported by the EC, was formed as a network of supercomputing centres and their users to share experiences and distil best practice. This Round-Table aims to address the role of emerging technologies in defining future directions and the impact this will have on the service that centres provide to meet users’ needs. DIRECT provides a forum in which service providers and users can meet to discuss current and future access requirements, as well as solutions to problems of common interest and to plan collaborative projects of mutual benefit. In this brochure we take a look at the current state of High-Performance Computing from the perspective of the European user community, and assess the needs and aspirations of this community in terms of how HPC is evolving. We attempt to evaluate the changing roles of supercomputing centres, in order to establish the future directions of large scale computing. We also take a look at the services that supercomputing centres are currently providing and expect to provide in the future. High-Performance Computing is an area in which technology is evolving very fast. The pace of hardware and software change means that previously intractable problems may become tractable, in the space of a few months. It is an exciting environment in which to work for the users of supercomputing centres who may make scientific breakthroughs, if they are given access to the best facilities in Europe. Supercomputing centres themselves are under pressure to keep abreast of the latest technological developments and to understand how they will benefit European users in this fast-changing area. The DIRECT Concerted Action hopes that this publication will be of interest to the scientific community, to all present and future users of High-Performance Computing and to funding agencies and policy makers. Alison Kennedy Coordinator of the DIRECT Concerted Action 7 02Supercompu for pdf (131) 8 15/04/03 12:38 Page 8 02Supercompu for pdf (131) 15/04/03 12:38 Page 9 INTRODUCTION THE HISTORY OF THE ROUND-TABLE DIRECT's predecessor during the EC Framework Programme 3 (FP3) was the Round Table on HighPerformance Computing and Networking (HPCN). This included representatives of users as well as managers of the centres that were funded under Access to Large Scale Facilities, and met once a year to discuss their participation in the Access programme. The Large Scale Facilities (LSFs) welcomed the opportunity to expand their role in a Concerted Action, and to develop cooperation and complementarity between the centres. Most of the members of the Round Table helped to set up the DIRECT Concerted Action. They were joined by a number of organisations representing users of HPC, and by one of the new Large Scale Facilities, a social science Data Centre. The members of the outgoing Round Table agreed that the theme of the Concerted Action would be High-Performance Computing and Data. The Users' Representatives provide relevant information about their current and future needs for access to the Facilities. By focussing attention on activities such as dissemination, workshops and reports, DIRECT can ensure the relevance of the Concerted Action’s findings and provides an opportunity for two-way communication with interested parties outside the network. DIRECT CONCERTED ACTION OVERVIEW Through the DIRECT Concerted Action, the participants have united in a Round-Table in HighPerformance Computing and Networking (HPCN) and its applications. Participants represent both service providers and their users. Together, we aim to address the role of emerging computer technologies, such as HPCN, in defining the future direction of scientific computing and the impact on major Research Infrastructures (RIs). The DIRECT Concerted Action seeks to mirror the situation in HPC and IT today. LSFs possess expensive and complex hardware to enable realistic models to be run or analysis performed. These centres work in close partnership with their users, who depend on them not only for their specialist facilities but also for assistance with optimisation and visualisation techniques. 9 02Supercompu for pdf (131) 15/04/03 12:38 Page 10 Institution Country Status Rationale Von Karman Institute Belgium USER CFD Expert LMD du CNRS France USER Climatology Expert CERFACS France USER TTN and CFD/CEM & Climatology Expert IDRIS France LSF-OTH LSF EMBL Germany LSF-HCM Molecular Biology Expert DKRZ Germany LSF-HCM Climatology Expert FORTH Greece USER Computational Chemistry Expert CINECA Italy LSF-TMR TTN and LSF TU-Delft Netherlands LSF-OTH CFD Expert CESCA-CEPBA Spain LSF-TMR LSF EPCC United Kingdom LSF-TMR TTN and LSF CLRC United Kingdom LSF-OTH CFD Expert ECASS United Kingdom LSF-TMR LSF EBI United Kingdom USER TTN and Molecular Biology Expert Table 1: Participants in the DIRECT Round-Table 10 02Supercompu for pdf (131) 15/04/03 12:38 Page 11 PROFILE OF THE PARTNERS Von Karman Institute The Von Karman Institute is a non-profit international educational and scientific organisation, hosting three departments: aeronautics and aerospace, environmental and applied fluid dynamics, and turbomachinery. LMD du CNRS Centre National de Recherche Scientifique (CNRS) scientific departments and institutes encompass virtually all fields of knowledge: physical sciences and mathematics, nuclear and particle physics, sciences of the universe, engineering sciences, chemical sciences, life sciences, humanities and social sciences. CERFACS CERFACS is one of the world's leading research institutes working on efficient algorithms for solving large-scale scientific problems. Research at CERFACS is organised in specific projects, namely: parallel algorithms, computational fluid dynamics, climate modelling and global change, electromagnetism and control, image and signal processing. IDRIS de CNRS IDRIS (Institute for Development and Resources in Intensive Scientific computing) is both a national server for High-Performance Computing and a centre of excellence in those aspects of advanced information technology relevant to its missions. EMBL The European Molecular Biology Laboratory (EMBL) provides European biologists with access to large instruments for the study of protein structures, some of the world's oldest and biggest databases of DNA and protein sequences, and a host of services operated by highly-trained biologists who are at the same time carrying out their own research DKRZ The DKRZ is the Service Centre for Climate Researchers in Germany, which provides advice to all users in data processing and gives technical and logistical support in holding workshops together with external scientists within the frame of the German climate research program. IESL – FORTH The Institute of Electronic Structure and Laser (IESL) is one of the seven institutes which comprise FORTH, the Foundation for Research and Technology-Hellas, based in Heraklion, Crete. CINECA The CINECA Consortium is a large and important scientific computing centre for public and private research in Italy. The mission of CINECA is to manage the computing centre and to promote and disseminate the use of the most advanced hardware and software systems in the academic and research community. 11 02Supercompu for pdf (131) 15/04/03 12:38 Page 12 TU-Delft Delft University of Technology is the largest, oldest and the most comprehensive university of technology in the Netherlands. CESCA-CEPBA The Centre de Supercomputació de Catalunya (CESCA) was inaugurated in October 1991 with the aim of offering High-Performance Computing services to universities, research centres and enterprises. EPCC Edinburgh Parallel Computing Centre (EPCC) was established in 1990 as a focus for the University of Edinburgh's work in High-Performance Computing. CCLRC The UK Council for the Central Laboratory of the Research Councils is responsible for one of Europe's largest multidisciplinary research support organisations, the Central Laboratory of the Research Councils (CCLRC). ECASS ECASS is an interdisciplinary research centre at the University of Essex within the Institute for the Social Sciences (ISS). ECASS is a centre for comparative and longitudinal data analysis, which conducts and facilitates the empirical study of social and economic change by integrating longitudinal and trans-national European datasets. EMBL-EBI The EMBL – European Bioinformatics Institute (EBI) is a centre for research and services in the use of informatics in the life sciences. The Institute manages databases of biological data including nucleic acid, protein sequences and macromolecular structures. Electron density with coloured potential representation of benzene and ethanol. ICARUS project. 12 02Supercompu for pdf (131) 15/04/03 12:38 Page 13 ROUND-TABLE ACHIEVEMENTS 1. ACCESS TO LARGE SCALE FACILITIES FOR RESEARCHERS TRACS at EPCC The Training and Research on Advanced Computing Systems (TRACS) Programme has been funded since 1993 under the HCM and TMR Programmes of the EC. During the six years of the programme, EPCC has delivered 585 visitor months of access to European researchers. TRACS has been successful in attracting applicants from a wide range of eligible EC and EEA countries. The TRACS team has supported visiting researchers in disciplines new to HPC such as music and business studies as well as in the disciplines that are traditional users of HPC such as the physical sciences. TRACS visits have resulted in 115 scientific publications and continuous collaboration between visitors and host department. Example of TRACS project, by Michael Herzog, Germany The Active Tracer High Resolution Atmospheric Model (ATHAM) was originally designed to simulate explosive volcanic eruptions. During an EC-funded TRACS visit to EPCC in 1999, Michael Herzog developed and successfully implemented a parallel version of ATHAM using MPI. The parallel version of the code opens a completely new domain of applications for ATHAM. With the MPI version available, it is now possible to apply it to plume chemistry, allowing a more realistic description of the microphysical processes that take place in the plume. Furthermore, the model can be used to investigate biomass-burning plumes and processes in strong convective clouds. ICARUS at CINECA The ICARUS Project, funded by the TMR Programme of EC, has been, since its beginning in 1994, a crossroads where different areas of expertise have had the opportunity to interact and to share research initiatives. Following visits from several researchers in archaeology, a Laboratory of Computational Archaeology has, over the past three years, been created at the University of Jaen (Spain). Similarly, interaction among researchers and research groups hosted by the University of Bologna has resulted in the creation of a new laboratory that has a specific goal: to introduce HPC into bimolecular modelling and the discovery of new drugs. In the period between October 1998 to April 2000, 52 European researchers benefited from access to CINECA's supercomputing facilities, with a total of 224 weeks of access. Example of ICARUS Project, by Dra. M.L. Senent, Spain This project was carried out during a visit to CINECA and concerns the study of the structural and spectroscopic analysis of certain interesting molecules using ab initio calculations and variational methods. The aim was to extend previous theoretical models and computer programs to the multidimensional analysis of several species. The molecules selected were of two well-known species, benzene and ethanol. Access to CINECA's supercomputing facilities made it possible to perform variational calculations of the far infrared frequencies of various isotopic species of ethanol. 13 ACCESS project. A model of an erupting volcano produced on a high performance computer. It is thought that a phenomenon like this devastated Pompeii. yy ,, yy ,, ,y,, yy ,, ,y,, yy yy,, ,y,, yy yy ,y yy ,, ,, ,, ,, ,, ,,y,yy ,, ,, yy y,yy y,yy y,yy y,yy y,yy y,yy ,, y, ,, ,, ,, ,, ,,y,yy ,, ,, yy y,yy y,yy y,yy y,yy y,yy y,yy y, ,, ,, y,yy y,yy ,, ,, ,, ,,y,yy ,, yy y,yy y,yy y,yy yy y, ,, y,,, y,yy ,, ,, ,, yy y,yy y,yy yy ,yyy ,, ,, y,yy y, ,, y,,, ,,y,yy y,yy y,yy ,, y,,, ,, ,, ,, yy y,yy y,yy ,, ,, yy,yyy ,y,, yy ,y ,, y,yy ,, y,yy yy,y,, ,y,, yy ,, ,yyy y,yy ,, y, ,, ,, yy y,yy ,yyy yy,y,, ,y,, yy ,yyy ,, y,yy ,, y, ,, ,, ,, ,, yy y,yy y,yy ,, ,yyy ,, y,yy yy,y,, yy ,yyy y,,, ,, ,, ,, ,, yy y,yy y,yy y, y,yy ,, y,yy ,, ,,y,yy y,yy ,, ,, ,, ,, ,, yy y,yy y,yy y,yy y, ,, ,,y,yy y,yy ,, ,, ,, ,, ,, ,, yy y,yy y,yy y,yy y,yy y,yy y, ,, ,,, ,,, ,,, ,,,yyy ,,, ,,, ,, yy yyy yyy yyy yyy yyy y,yy y, 14 Page 14 12:38 15/04/03 02Supercompu for pdf (131) 02Supercompu for pdf (131) 15/04/03 12:38 Page 15 ACCESS at CESCA-CEPBA One of the important characteristics of CESCA and CEPBA as a large-scale facility is that they are in the centre of a large University infrastructure with research groups in various fields that range from theoretical chemistry to structure simulation and computer science. Since the start of the ACCESS programme in 1993, funded by the TMR Programme of the EC, a total of 199 visitors have come for 250 visits, hosted by 54 research groups, and resulting in a total of 262 publications. Example of ACCESS project, by Dimitris Nikolopoulos, Greece The work developed by Dimitris Nikolopoulos is an extension to the EC-funded NANOS project, which has already been successfully completed. In particular, the NANOS environment was used to develop a library to provide support for page migration. The target of the project was the development of a complete environment in which interactions between mechanisms and policies at different levels (application, compiler, threads library and kernel) would be carefully coordinated. The execution environment proved to be very adaptable to different architectures and has been used as a tool to analyse the performance of current shared-memory multiprocessors. The results of this work showed that the placement of data in parallel applications run on NUMA multiprocessors like the O2000 is very important to obtain high performance. The arena of “numerically intensive computation” has changed radically with the rise of the “killer micros”. 15 02Supercompu for pdf (131) 15/04/03 12:38 Page 16 2. DATA STORAGE AND MANAGEMENT AND DATA INTEROPERABILITY ENTERPRISE GROUPS Data management and data storage skills have traditionally been the preserve of data centres and of users such as climatologists, who need to store and manage large volumes of data in order to undertake their research. Increasingly such centres are relying on HPC to provide computing power and in many cases, the management of datasets has now passed to the HPC providers. These centres are now required to facilitate access to data files of varying sizes, types and formats and to investigate methods of data storage and management. Applications such as climate modelling are a challenge to the data storage capacities of HPC facilities. With the increase in the volume of data being produced and stored, data interoperability is a topic of concern to participants in collaborative projects and programmes, such as TMR, which facilitate the mobility of researchers. Increasingly collaborative working requires a sharing not only of technical skills but also of data. This data may be stored on a wide variety of storage devices, in a wide variety of formats, and vary greatly in size. With the greater mobility of researchers, data must also become more mobile. The agreement of standards to facilitate the simple transfer of data around the EU is of vital importance. The Data Storage and Management and Data Interoperability Enterprise Groups have provided data centres, HPC centres and users with a forum inwhich to discuss problems and share solutions. The Enterprise Groups looked at the present situation with respect to data standardisation, data representation, data transfers, data mediation and other topics of interest to scientists dependent on the interchange of scientific data. Based on this study of the present situation they made recommendations to improve data storage, management and mobility across the EU. Following the Joint Workshop (see 5., page 21) of the two groups in September 1998 in Essex, UK, a detailed Technical Watch Report was produced. The state of the art, the problems users have encountered, and lines of future development in data access and data storage are outlined in the Technical Watch Report. The report is available on-line on the DIRECT web pages: http://www.epcc.ed.ac.uk/direct Without adequate data archival historical and new data may well be lost. 16 02Supercompu for pdf (131) 15/04/03 12:38 Page 17 3. VISUALISATION AND EMERGING COMPUTING TECHNIQUES ENTERPRISE GROUP As the quantity of data produced by simulations grows, so does the difficulty of extracting useful information. Indeed, it is now clear that in many applications visual methods are the only practical way of extracting information from the data. Consequently, computer graphics and scientific visualisation techniques have become more important in the last few years with the increased availability of computing resource and of visualisation tools. Visualisation is becoming one of the key tools for problem solving both in traditional areas such as visualisation of complex flow, and in new applications areas like the planning of surgical operations using 3-D reconstruction of anatomical sites, or the development of highly-realistic aircraft simulators for pilot training. Scientific and engineering advances, particularly in the study of complex phenomena, are increasingly dependent on new approaches to computing, information handling, and communications that blur the boundaries between the realm of bits and numbers in the computer, the realm of graphics and images, and the realm of acquired human knowledge. As the phenomena that scientists study grow in complexity, gleaning understanding from the results becomes increasingly difficult. Visualisation transforms raw data into graphical representations that exploit the high-bandwidth channel of the human visual system, and take advantage of the brain's remarkable ability to detect patterns and draw inferences. Even with current technology, computers can process data at remarkable speeds, but are incapable of any real understanding, and cannot reliably find relevant features or draw correct and relevant conclusions. As a result, human expertise is central to any process that requires understanding. Scientific visualisation, that is, the coupling of human understanding and pattern recognition abilities to the problems of scientific understanding, provides the best means available for acquiring understanding from the complex phenomena scientists and engineers now face. High-Performance Computing of complex interfaces in fluids. By Alexander Wagner et al, Condensed Matter Group, Dept of Physics, University of Edinburgh, UK. 17 02Supercompu for pdf (131) 15/04/03 12:38 Page 18 The Scientific Visualisation Enterprise Group brought together representatives from LSFs and user groups, such as CFD experts and biologists. The Enterprise Group has looked at the existing provision for scientific visualisation in Europe and tries to ensure that future provision takes account of the needs of traditional users of these facilities and of emerging applications fields. The group has also discussed emerging technologies such as Virtual Reality, Virtual Laboratories etc. An increasing number of institutions are combining their computing facilities with high performance graphics capabilities. For example, CINECA has had significant support from DIRECT in completing its project for the first Italian reality centre, which helps users to handle very large and complex data sets and gain insight from them. Among others CINECA received a significant support by DIRECT initiatives in finalising its project for the implementation of the first Italian reality centre, a facility to support the capability of users to deal with very large and complex volumes of data and the aspects associated with the corresponding insight needs. The discussion of these issues will be continued at an international conference, which is scheduled at CINECA 16-17 October 2000. The details of this event will be accessible at CINECA and at the DIRECT www site: http://www.epcc.ed.ac.uk/direct Simulating magnetised plasmas with the versatile advection code: simulation of the mixing of a heavy (magnetised) compressible plasma with a lighter one, produced by Dr Rony Keppens during his EC-funded TMR visit to EPCC. 18 Visualisation of Raleigh Taylor Instability, produced by Dr Rony Keppens during his EC-funded TMR visit to EPCC. 02Supercompu for pdf (131) 15/04/03 12:38 Page 19 4. DIRECT USER QUESTIONNAIRE AND STRATEGIC REVIEW OF HIGHPERFORMANCE COMPUTING IN EUROPE – "WHERE IS EUROPEAN HPC GOING" Traditionally, computer centres have been viewed as principally providing computing power to users. Today, with the advent of large amounts of cheap computer power on the desktop this simple model has become outmoded. A better view of the modern computer centre is as a facility that combines training, applications support, and computing cycles with data storage and management. In determining the correct balance of these functions it is vital to monitor and anticipate users' needs at all levels from hardware provision to applications development. With this in view, between November 1998 and May 1999 EPCC conducted an on-line survey of visitors to the DIRECT web pages. An electronic questionnaire was used in an attempt to determine which of the facilities and services provided by HPC centres are most relevant to their users. Versions of the questionnaire were made available in six European languages – English, French, German, Spanish, Italian and Greek. A total of 190 responses were received, yielding a reasonable sample size. Based on the survey results, a Strategic Review of HPC in Europe was undertaken. The Strategic Report takes a look at the current state of High-Performance Computing from the perspective of the European user community, and assesses the needs and aspirations of this community in terms of where HPC might be going, and where, perhaps, it should be going. The main aim of this report is to capture a snapshot of HPC activities, from the technology itself through related services to the direct views of its European user base, and attempt to draw the whole together into some form of roadmap for large-scale computing in the twenty-first century. The Strategic Review Report is publicly available on the DIRECT web pages: http://www.epcc.ed.ac.uk/direct Propagation of elastic waves: model of seismic wave propagation in heterogeneous media. Produced by Norbert Gold, during hic EC-funded TMR visit to EPCC. 19 02Supercompu for pdf (131) 15/04/03 12:38 Page 20 High-Performance Computing technologies are an important and integrated component of the design process in most manufacturing industries today. Photo: Gair Dunlop. High-Performance Computing can provide just the required leverage to solve difficult production planning optimisation problems. Photo: Gair Dunlop. 5. MEETINGS AND WORKSHOPS The pressures on Large Scale Facilities and their users are growing. The technologies used in HighPerformance Computing and Networking, Data Storage and Management, and Visualisation are all evolving rapidly. Constant monitoring to evaluate the potential effects of new technologies is very time consuming but necessary. At the same time, user expectations are increasing. As HPC becomes mainstream, and the number and range of LSF users grows, so does the range of services and competencies which the LSFs are expected to provide. A decade ago, an LSF's main role was to provide access to a small number of competent users. Now centres also need to provide training, applications support, data storage and management facilities, and visualisation services. It is impossible for all centres to be experts in all areas. The obvious solution is for centres to cooperate and share their knowledge. DIRECT aims to foster a culture of cooperation among TMR LSFs and other LSFs in Europe and to provide them with a forum at which they can discuss problems and share solutions. On a technological level, sharing information means that duplication of effort at different centres can be avoided, and the “re-inventing the wheel” problem will be solved. 20 02Supercompu for pdf (131) 15/04/03 12:38 Page 21 In the course of the DIRECT initiative it emerged that supercomputing and data centres across Europe are facing the same challenges, and the vital importance of cooperation has been stressed. The emphasis is now placed on working together and collaborating. In view of this, DIRECT partners have organised and participated in a number of workshops, focusing on different problems of interdisciplinary interest. Joint DIO-DSM Workshop, Colchester, September 1998 A Joint Workshop of the Data Storage and Management (DSM), and Data Interoperability Enterprise Groups (DIO) was held on 28-30 September 1998 in Colchester, Essex, UK. Representatives of DIRECT Round-Table organisations from all over Europe participated in the workshop. The main areas of discussion were problems of managing large data sets, data usage and interoperability issues, and other related topics such as CORBA. The Workshop was very successful and has received very positive feedback from all the participants. The contributions of the participants are publicly available on-line. Visualisation Group Workshop, Bologna, January 1999 The first workshop of the DIRECT Visualisation and Emerging Computing Techniques Enterprise Group was held at CINECA Inter-University Computer Centre on 22-23 January 1999. The importance of visualisation as an HPC tool was underlined, with many examples from a wide range of application fields. The key discussion points of the workshop were: a) Visualisation of scientific data is a major component of computational science and engineering; b) VR techniques are emerging as the complementary infrastructure of a large scale computing facility; c) The quantity and complexity of data that will be produced by large-scale simulation codes and other sources of scientific and technical data over the next few years will vastly exceed today's data management and visualisation capabilities; d) The development of large-scale scientific computation and advanced scientific instruments means that we need to increase investment in scientific data manipulation and visualisation research. Workshop on Advanced Data Storage/Management Techniques for High-Performance Computing, 23-25 February 2000, Daresbury, UK Organised by Kerstin Kleese (CLRC) and Michael Lautenschlager (DKRZ), this workshop was an important success, with a total of 100 participants. The excellent presentations gave rise to numerous interesting and lively discussions. Among over thirty talks given, six were by members of the DIRECT Data Storage and Management and Data Interoperability Enterprise Groups. The full programme with abstracts is available on-line: http://www.dl.ac.uk/TCSC/datamanagement/tab2.html Workshop proceedings will be published in May 2000. To order a copy of the proceedings please contact: Kerstin Kleese, CLRC – Daresbury Laboratory, Daresbury, Warrington, WA4 4AD UK (Data Management 2000). 21 02Supercompu for pdf (131) 15/04/03 12:38 Page 22 6. DIRECTIONS ELECTRONIC NEWSLETTER DIRECTIONS Electronic Newsletter is a quarterly on-line publication which aims to facilitate the interchange of news, ideas and latest developments among DIRECT members and the HPC community in general. DIRECTIONS features articles that are of interest and importance to its audience, and DIRECT participants regularly contribute to this publication. Another important purpose of DIRECTIONS is to spread and promote DIRECT ideas within European scientific community. The first issue was dated 30 June 1998. Since then, seven issues have produced and made available via DIRECT web pages: http://www.epcc.ed.ac.uk/direct/directions.html 7. DIRECT WEB SITE The Round-Table Coordinator (EPCC) has put together and is maintaining the DIRECT Web Site, which is an important communication and dissemination tool for DIRECT participants and the HPC community in general. It contains general information about the project, its participating organisations, Enterprise Groups, news and events, and a collection of relevant links. DIRECT documentation, such as TechWatch and Strategic Review Reports and contributions from DIRECT participants has been made available both to view on-line and to download. The web pages have already attracted the attention of Scientific Computing World, who featured the project in their April 1998 edition and of Springer-Verlag, who have contacted us for further information. The biggest computational challenges come from modelling the relatively mundane features of our immediate environment – weather, the earth, water, the landscape. 22 02Supercompu for pdf (131) 15/04/03 12:38 Page 23 THE FUTURE The DIRECT initiative has identified key areas of future technological advances and triggered numerous discussions on an interdisciplinary level. In the course of the Round-Table, a number of trends have emerged which will determine the future direction of scientific computing. DIRECT succeeded in re-evaluating the changing roles of supercomputing centres and created the basis for the much-needed shift towards value-added services which supercomputing centres are expected to provide. DIRECT will help to bring the technology closer to the real user, and to bridge the gap between science and industry. DIRECT has outlined the necessity for collaboration on a pan-European scale. Under the auspices of DIRECT, the new concepts of "metacentre” and "the Grid” have been given a new, wider dimension. The Grid is nowadays viewed as the next generation of Internet technology. The Internet provides a ubiquitous global information space. The Grid will extend this network functionality to provide ubiquitous computation and data storage functionality. Just as the web continues to change the way the world communicates, the Grid will change the way the world accesses and thinks of computation. The term 'Grid' has been coined by analogy with the idea of national power grids which provide a highly robust, standard source of electrical power to individuals and organisations. The Grid will provide the same kind of robust, standard access to information, computational and data storage systems. Within Europe the Grid holds great promise for improved interworking between national LSFs, which can complement each other and hence provide a better set of facilities for European researchers. Another key trend is the linkage between academic and industrial computing. In the past, only large industries could afford to be involved in high-end computing. Today, clusters of PCs potentially make the technology available to all, but in practice acceptable performance is only achievable with expert assistance. Supercomputing centres have a role in aiding SMEs to use their already-installed hardware more effectively and in working with them to transfer academic methods and techniques for business benefit. With this background, the fundamental question which DIRECT attempted to answer, is: at the start of the new millennium how are users' needs evolving and what changes do the national centres need to make to respond? Although the specific questions to be addressed are disparate, they all focus on one issue: the impact of emerging technologies, their practicality and cost-effectiveness and the consequent impact on working practices. The EC continues to play a crucial role in a number of areas. Firstly, through its support of Transnational Access, it enables promising researchers from all applications and geographical areas to make use of the best facilities in Europe, with appropriate practical support. Secondly, through the support of the Concerted Action, the operators of High-Performance Computing centres have been provided with a forum in which they can discuss future needs, work in cooperation and share information to enable them to provide the best possible support to the growing number of users of their facilities. 23 02Supercompu for pdf (131) 15/04/03 12:38 Page 24 LOCATION AND DATA OF DIRECT NETWORK 13 5 7 8 1 6 4 2 11 3 10 12 9 24 02Supercompu for pdf (131) 15/04/03 1. Delft University of Technology, Lorentzweg 1, P.O Box 5046, NL-2600 GA Delft The Netherlands Tel: +31 15 278 5037 Fax: +31 15 278 608 2. Centre IDRIS / CNRS1 Bat CIRCE 506, BP 167, F-91403 Orsay France Tel: +33 1 69 35 85 85 Fax: +33 1 6985 37 75 3. European Molecular Biology Laboratory, Postfach 10.2209 Meyerhofstrasse 1, D-6900 Heidelberg Germany Tel: +49 6221 387265 Fax: +49 6221 398306 4. Laboratoire de Meteorolgie Dynamique du CNRS, Tour 25, 5eme etage, BP 99, 4 place Jussieu, F-75252 Paris Cedex 05 France Tel: +33 1 44 277352 Fax: +33 1 44 276272 5. DKRZ Bundesstr. 55 D-20146 Hamburg Germany Tel: +49 40 41173 314 Fax: +49 40 41173 270 12:38 Page 25 6. Von Karman Institute for Fluid Dynamics, Chaussee de Waterloo 72, B-1640 Rhode-St-Genese Belgium Tel: +32 2 359 9635 Fax: +32 2 359 9600 10. CINECA Via Magnanelli 6/3 I-40033 Casalecchio di Reno Bologna Italy Tel: +39 51 6171514 Fax: +39 51 6592581 7. CCLRC Rutherford Appleton Laboratory Chilton Didcot Oxfordshire OX11 OQX UK Tel: +44 1235 445657 Fax: +44 1235 446626 11. CERFACS 42 Avenue Gaspard Coriolis cedex 1 F-31057 Toulouse France Tel: +33 561 19 30 01 Fax: +33 561 19 30 30 8. European Centre for Analysis in the Social Science University of Essex Wivenhoe Park Colchester Essex CO4 3SQ UK Tel: +44 1206 872009 Fax: +44 1206 872403 9. IESL FORTH Vassilika Vouton PO Box 1527 GR-711 10 Heraklion, Crete Greece Tel: +30 81 391813 Fax: +30 81 391305 12. C4 – CESCA Gran Capitan, 2-4, Edifici Nexus, E-08034 Barcelona Spain Tel: +34 93 205 6464 Fax: +34 93 205 6979 13. EPCC James Clerk Maxwell Building Kingís Buildings Mayfield Road Edinburgh EH9 3JZ UK Tel: +44 131 650 5030 Fax: +44 131 650 6555 25 02Supercompu for pdf (131) 15/04/03 12:38 Page 26 ACCESS TO RESEARCH INFRASTRUCTURES In 1989, under the Second “Framework Programme for Community R&D”, the European Commission introduced a scheme to help Europe’s top researchers, as well as young scientists, to obtain time at whichever facility was best equipped for their research, irrespective of where it was located in the European Union, or who owned and operated it. To this end, since the late 1980s, successive Framework Programmes have contained an activity designed to provide such access and the funds to enable researchers to take advantage of it. The European Union’s Programme “Improving Human Research Potential and the Socio-Economic Knowledge Base” (part of the Fifth Framework Programme) is the premier provider of transnational Access to Research Infrastructures (ARI). The funding also supports transnational RTD projects, Round-Tables and Infrastructure Cooperation Networks. Access to Research Infrastructures funding aims to ensure that European researchers gain access to facilities on the basis of their scientific merit and are not limited by the geographic location or national ownership of a particular establishment. Over the years, ARI support has opened up facilities all over Europe from the Arctic Circle to French Guyana and the Canary Islands or the Negev Desert. For about 70% of all the researchers already supported by this activity it was their first opportunity to use the facility and more than 80% would otherwise not have been able to obtain access. The importance and success of this activity (under previous programmes and the present one) is clearly demonstrated by the following figures: • Under the Large Installations Plan (1989-1992) about 1,600 researchers were provided access to 17 facilities. • Under the Human Capital and Mobility Programme (1990-1994) more than 4,000 researchers were provided access to 72 facilities. • Under the Training and Mobility of Researchers (TMR) Programme, on average more than 2,000 researchers per year have been provided access to 116 of Europe’s top facilities. • So far, under the Improving Human Potential Programme, access contracts have been signed with 111 large research infrastructures, so access will continue to be provided to about 2,000 researchers per annum. Access to the facilities is open to researchers, in the public and private sector, who are resident in an EU country or of one of the Programme’s Associated States. The access must involve transnational travel to a facility to which the researchers (or users) do not already have right of access. For details on how and when to apply, applicants should contact the respective facility directly (not the European Commission!). In all cases a peer review committee will screen applications to ensure that access is awarded to the most worthy research projects with special emphasis being placed on first time users (who are mostly Ph.D. students and young post-docs). A brief description of each of the current installations available and on the ARI Action can be found on our Web site. Information brochures can be requested from the EC: E-mail: [email protected] Fax: +32 2 299 2102 For further information see “Access to Research Infrastructures” at: http://www.cordis.lu/improving/src/hp_ari.htm 26 02Supercompu for pdf (131) 15/04/03 12:38 Page 27 European Commission Research Infrastructures High Performance Computing by Alison Kennedy Luxembourg: Office for Official Publications of the European Communities 2000 — 26 pp. — 21 x 29.7 cm ISBN 92-894-0027-7 02Supercompu for pdf (131) 15/04/03 12:39 Page 28 02Supercompu for pdf (131) 15/04/03 12:39 Page 29 15 This brochure gives an overview of current challenges, future trends and the needs and requirements of the European scientifiic community in this ever-evolving area. It also explains how EC-supported research infrastructures contribute to solving computationally intensive scientific problems of today. This publication will be of interest both to those in the field and to those who are interested in becoming involved in transnational research. OFFICE FOR OFFICIAL PUBLICATIONS OF THE EUROPEAN COMMUNITIES L-2985 Luxembourg ISBN 92-894-0027-7 ,!7IJ2I9-eaachf! KI-29-00-367-EN-C One in the series of brochures to highlight the contribution made by the Community research infrastructure programmes in the field of High-Performance Computing (HPC), based on the outcome of the successful DIRECT Round-Table in high-performance computing supported by the EC
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