The Grid a brief briefing Carole Goble Information Management Group Roadmap What is the Grid? Example projects Relationship to the Semantic Web Example architectures The international programme Take Home The Grid is an international activity The Grid has attracted high profile industrial and government support and funding The Information/Knowledge Grid is in many ways indistinguishable from the Semantic Web The Grid Community’s understanding of generic and theoretical issues for the IK Grid is immature and hackery. So what’s the Grid? Isn’t it just High Performance Computing for High Energy Physicists? Why Grids? Large-scale science and engineering are done through the interaction of people, heterogeneous computing resources, information systems, and instruments, all of which are geographically and organizationally dispersed. The overall motivation for “Grids” is to facilitate the routine interactions of these resources in order to support large-scale science and engineering. From Bill Johnston 27 July 01 CERN: Large Hadron Collider (LHC) Raw Data: 1 Petabyte / sec Filtered 100Mbyte / sec = 1 Petabyte / year = 1 Million CD ROMs CMS Detector Why Grids? A biochemist exploits 10,000 computers to screen 100,000 compounds in an hour; A biologist combines a range of diverse and distributed resources (databases, tools, instruments) to answer complex questions; 1,000 physicists worldwide pool resources for petaop analyses of petabytes of data Civil engineers collaborate to design, execute, & analyze shake table experiments From Steve Tuecke 12 Oct. 01 Why Grids? (contd.) Climate scientists visualize, annotate, & analyze terabyte simulation datasets An emergency response team couples real time data, weather model, population data A multidisciplinary analysis in aerospace couples code and data in four companies A home user invokes architectural design functions at an application service provider From Steve Tuecke 12 Oct. 01 Why Grids? (contd.) An application service provider purchases cycles from compute cycle providers Scientists working for a multinational soap company design a new product A community group pools members’ PCs to analyze alternative designs for a local road From Steve Tuecke 12 Oct. 01 The Grid Vision “…flexible, secure, coordinated resource-sharing among dynamic collections of individuals, institutions, and resources–what we refer to as virtual organisations” “The Anatomy of the Grid: Enabling Scalable Virtual Organizations” Foster, Kesselman and Tuecke, 2001 The Grid Problem Enable communities (“virtual organizations”) to share geographically distributed resources as they pursue common goals -- assuming the absence of… central location, central control, omniscience, existing trust relationships. From Steve Tuecke 12 Oct. 01 Visualisation stretch Large scale Multi-disciplinary simulation Decision support and optimization Virtual prototyping Collaborative analysis and visualization Data Computation Large scale distributed data management Large scale distributed computation High speed communications Dynamic collaborative virtual organisations What is it? Where is it? How to get it? When did it? happen? Who knows it? Why does it? What are you doing? interrogation results workflows Technology Grid Governance & Control Collaboration Grid Online Access to Scientific Instruments Advanced Photon Source wide-area dissemination real-time collection archival storage desktop & VR clients with shared controls tomographic reconstruction DOE X-ray grand challenge: ANL, USC/ISI, NIST, U.Chicago From Steve Tuecke 12 Oct. 01 Supernova Cosmology Network for Earthquake Engineering Simulation NEESgrid: national infrastructure to couple earthquake engineers with experimental facilities, databases, computers, & each other On-demand access to experiments, data streams, computing, archives, collaboration NEESgrid: Argonne, Michigan, NCSA, UIUC, USC From Steve Tuecke 12 Oct. 01 Home Computers Evaluate AIDS Drugs Community = 1000s of home computer users Philanthropic computing vendor (Entropia) Research group (Scripps) Common goal= advance AIDS research From Steve Tuecke 12 Oct. 01 myGrid Personalised extensible environments for data-intensive in silico experiments in biology Straightforward discovery, interoperation, sharing Workflow oriented provenance propagating change Individual creativity & collaborative working personalisation myGrid resources Question: Nucleotide binding protein in mouse Answer: P12345 in Swiss-Prot is an ATPase Terri Attwood is an expert on this Jackson Labs have a database but you need to register A paper has just been published in Proteins by the Stanford lab on this. GeoDISE – engineering design optimisation Access to knowledge repository Access to optimisation and search tools Industrial analysis codes Distributed computing and data resources in design optimisation Applied to industrial problems - large scale CFD codes Demonstrate scalability across distributed computational and data resources and teams of designers GeoDISE Modern engineering firms are global and distributed How to … ? … improve design environments … cope with legacy code / systems … produce optimized designs CAD and analysis tools, user interfaces, PSEs, and Visualization Optimisation methods … integrate large-scale systems in a flexible way Management of distributed compute and data resources … archive and re-use design history Data archives (e.g. design/ system usage) … capture and re-use knowledge Knowledge repositories & knowledge capture and reuse tools. “Not just a problem of using HPC” Virtual Sky http://virtualsky.org/ Broader Context “Grid Computing” has much in common with major industrial thrusts Business-to-business, Peer-to-peer, Application Service Providers, Storage Service Providers, Distributed Computing, Internet Computing… Sharing issues not adequately addressed by existing technologies Complicated requirements: “run program X at site Y subject to community policy P, providing access to data at Z according to policy Q” High performance: unique demands of advanced & high-performance systems From Steve Tuecke 12 Oct. 01 From Steve Tuecke 12 Oct. 01 Elements of the Problem Resource sharing Coordinated problem solving Beyond client-server: distributed data analysis, computation, collaboration, … Dynamic, multi-institutional virtual organisations Computers, storage, sensors, networks, … Sharing always conditional: issues of trust, policy, negotiation, payment, … Community overlays on classic org structures Large or small, static or dynamic Problem Solving Environments Broader Context “Grid Computing” has much in common with major industrial thrusts Business-to-business, Peer-to-peer, Application Service Providers, Storage Service Providers, Distributed Computing, Internet Computing… Sharing issues not adequately addressed by existing technologies Complicated requirements: “run program X at site Y subject to community policy P, providing access to data at Z according to policy Q” High performance: unique demands of advanced & high-performance systems From Steve Tuecke 12 Oct. 01 The Globus Project™ Close collaboration with real Grid projects in science and industry Development and promotion of standard Grid protocols to enable interoperability and shared infrastructure Development and promotion of standard Grid software APIs and SDKs to enable portability and code sharing The Globus Toolkit™: Open source, reference software base for building grid infrastructure and applications Global Grid Forum: Development of standard protocols and APIs for Grid computing From Steve Tuecke 12 Oct. 01 Doesn’t Globus solve it all? Globus ToolKit is focused on the Data/Computational layer No database connectivity Little brokering, and static not dynamic Weak metadata management, workflow Trashes firewalls No, not everything is JCL, FTP and LDAP Distributed computation dominates etc…etc… Is it done? NASA Power Grid is the only one really working http://www.ipg.nasa.gov Linking similar supercomputers owned by the same organisation Computation-focused High Energy Physics is atypical Example Application Projects AstroGrid: astronomy, etc. (UK) Earth Systems Grid: environment (US DOE) EU DataGrid: physics, environment, etc. (EU) EuroGrid: various (EU) Fusion Collaboratory (US DOE) GridLab: astrophysics, etc. (EU) Grid Physics Network (US NSF) MetaNEOS: numerical optimization (US NSF) NEESgrid: civil engineering (US NSF) RealityGrid (UK) DAME (UK) Comb-e-Chem (UK) GeoDISE (UK) iVDGL, StarLight (US/EU) DiscoveryNet (UK) myGrid (UK) GridPP (UK) Particle Physics Data Grid (US DOE) etc… “ … Since the early days of mankind the primary motivation for the establishment of communities has been the idea that by being part of an organized group the capabilities of an individual are improved. The great progress in the area of inter-computer communication led to the development of means by which stand-alone processing subsystems can be integrated into multicomputer ‘communities’. … “ Miron Livny, “ Study of Load Balancing Algorithms for Decentralized Distributed Processing Systems.”, Ph.D thesis, July 1983. Every Community needs a Matchmaker! Condor uses Matchmakers to build Computing Communities out of Commodity Components .. someone has to bring together community members who have requests for goods and services with members who offer them. Both sides are looking for each other Both sides have constraints Both sides have preferences Lets look at some Architectures A Desiderata (adapted from Globus) Software development toolkits e.g. Globus toolkit Standard protocols, services & APIs A modular “bag of technologies” Enable incremental development of grid-enabled tools and applications Reference implementations Learn through deployment and applications Open source Applications Diverse global services Core services Local OS Globus Layered Grid Architecture CERN - High Energy Physics “Coordinating multiple resources”: ubiquitous infrastructure services, app-specific distributed services Collective Application “Sharing single resources”: negotiating access, controlling use Resource “Talking to things”: communication (Internet protocols) & security Connectivity Transport Internet “Controlling things locally”: Access to, & control of, resources Fabric Link Internet Protocol Architecture Application From Steve Tuecke 12 Oct. 01 Keith Jeffery "Reproduced by permission of the IT Innovation Centre, University of Southampton." http://www.it-innovation.soton.ac.uk Three Layer Grid Abstraction Grid Scientific Problems Knowledge Knowledge / capability Value chain Processes Information Semantics / process Jobs and Data Data Data / applications Raw Resources Interoperability, higher level ontologies, reasoning, discovery, Reasoning services, Discovery services Fulfillment Architecture of a Grid Discipline Specific Portals and Scientific Workflow Management Systems clusters Distributed national supercomputer facilities Condor pools Fault Management Monitoring = Globus services Resources tertiary storage Auditing Security Services Authentication Authorization Communication Services Network Cache Collaboration and Remote Instrument Services Uniform Data Access Data Cataloguing Global Event Services CoScheduling Global Queuing Brokering Uniform Resource Access Grid Information Service Applications: Simulations, Data Analysis, etc. Toolkits: Visualization, Data Publication/Subscription, etc. Grid Common Services: Standardized Services and Resources Interfaces national user facilities network caches High-speed Networks and Communications Services Architecture of a Grid – upper layers • Knowledge based query Problem Solving Environments • Tools to implement the human interfaces, e.g. SciRun, ECCE, WebFlow, ..... • Mechanisms to express, organize, and manage the workflow of problem solutions (“frameworks”) data publish and subscribe toolkits instrument managemen t toolkits collaboratio n toolkits visualization toolkits Applications and Supporting Tools applicatio n codes • Access control Grid Common Services Distributed Resources DCOM Java/ Jini Condor -G CORBA Application Development and Execution Support Globus MPI Grid enabled libraries (security, communication services, data access, global event management, etc.) “Knowledge Based” Data Grids Relationships Between Concepts Knowledge Repository for Rules Access Services Rules - KQL Knowledge Management XTM DTD Ingest Services Knowledge or Topic-Based Query / Browse Attributes Semantics Information Repository SDLIP Information XML DTD (Model-based Access) Attribute- based Query Fields Containers Folders Storage (Replicas, Persistent IDs) National Partnership for Advanced Computational Infrastructure Grids Data MCAT/HDF (Data Handling System - SRB) Feature-based Query Astronomy Sky Survey Data Grid 1. Portals and Workbenches 2.Knowledge & Resource Management Concept space 4.Grid Security Caching Replication Backup Scheduling 3. Metadata View Bulk Data Catalog Analysis Analysis Standard APIs and Protocols Data View Information Metadata Data Data 5. Discovery delivery Discovery Delivery Standard Metadata format, Data model, Wire format 6. Catalog Mediator Data mediator Catalog/Image Specific Access 7. Compute Resources Derived Collections Catalogs Data Archives User Interfaces Portals & Portals & Clients Portals & Clients Clients Delivery Presentation Aggregation - Channels Information about collections NSDL NSDL NSDL Collections Collections Collections referenced referenced Referenced items&& items Items & collections collections Collections Core NSDL Bus Meta-data delivery Data delivery Query Global Ids Security Network Virtual Collections & Mediators Core Core Services: Collectionmetadata Building Services Corenormalizing Collectionmetadata harvesting Building Services persistent storage Collection Building NSDL Usage Enhancement NSDL NSDL Services Other NSDL Services Services Metadata & data access-based services Core Services: CI Services annotation CI Services query CI transform Services topic-map registry CI Services personalization CI Services discussion visualization... ERA Concept model The De Roure Triangle Grid Computing eScience Agents eBusiness ? Web Services Semantic Web Roy Williams Paul Messina California Institute of Technology So what is going on? UK: http://www.escience-grid.org.uk/ International: http://www.gridforum.org/ E-Science Programme DG Research Councils E-Science Steering Committee Director’s Awareness and Co-ordination Role Grid TAG Director Director’s Management Role Generic Challenges Academic Application Support EPSRC (£15m), DTI (£15m) Programme Research Councils (£74m), DTI (£5m) PPARC (£26m) BBSRC (£8m) MRC (£8m) NERC (£7m) £80m Collaborative projects ESRC (£3m) EPSRC (£17m) CLRC (£5m) Industrial Collaboration (£40m) From Tony Hey 27 July 01 Key Elements of UK Grid Development Plan Development of Generic Grid Middleware Network of Grid Core Programme e-Science Centres National Centre http://www.nesc.ac.uk/ Regional Centres http://www.esnw.ac.uk/ Grid IRC Grand Challenge Project Support for e-Science Pilots Short term funding for e-Science demonstrators Grid Network Team * Grid Engineering Team Grid Support Centre * Task Forces Adapted from Tony Hey 27 July 01 Take Home The Grid is an international activity The Grid has attracted high profile industrial and government support and funding The Information/Knowledge Grid is in many ways indistinguishable from the Semantic Web The Grid Community’s understanding of generic and theoretical issues for the IK Grid is immature and hackery. Spares Supernova Cosmology Home Computers Evaluate AIDS Drugs Community = 1000s of home computer users Philanthropic computing vendor (Entropia) Research group (Scripps) Common goal= advance AIDS research From Steve Tuecke 12 Oct. 01 Grid viewpoints What is it? Where is it? How to get it? When did it happen? Who knows it? Why does it? What are you doing? interrogation results private public Technology Grid Governance & Control Access Grid New Biology workflows Particle Physics and Astronomy Research Council (PPARC) GridPP (http://www.gridpp.ac.uk/) to develop the Grid technologies required to meet the LHC computing challenge ASTROGRID (http://www.astrogrid.ac.uk/) a ~£4M project aimed at building a data-grid for UK astronomy, which will form the UK contribution to a global Virtual Observatory Infrastructure Deployments Institutional Grid deployments: deploying services and network infrastructure International deployments: supporting international experiments and science DISCOM, IPG, TeraGrid, DOE Science Grid, DOD Grid, NEESgrid, ASCI (Netherlands) iVDGL, StarLight Support centers U.K. Grid Center U.S. GRIDS Center