Grid Enabled Optimisation and Design Search for Engineering (GEODISE) Prof Simon Cox Southampton University 3rd Annual Workshop on Linux Clusters for Super Computing National Supercomputer Centre, Linköpings Universitet, Sweden http://www.geodise.org Grid Enabled Optimisation and Design Search for Engineering (GEODISE) Southampton, Oxford and Manchester Simon Cox- Grid/ W3C Technologies and High Performance Computing Global Grid Forum Apps Working Group Andy Keane- Director of Rolls Royce/ BAE Systems University Technology Partnership in Design Search and Optimisation Mike Giles- Director of Rolls Royce University Technology Centre for Computational Fluid Dynamics Carole Goble- Ontologies and DARPA Agent Markup Language (DAML) / Ontology Inference Language (OIL) BAE Systems- Engineering Rolls-Royce- Engineering Fluent- Computational Fluid Dynamics Microsoft- Software/ Web Services Intel- Hardware Compusys- Systems Integration Epistemics- Knowledge Technologies Condor- Grid Middleware Nigel Shadbolt- Director of Advanced Knowledge Technologies (AKT) IRC http://www.geodise.org The GEODISE Team ... Richard Boardman Sergio Campobasso Liming Chen Mike Chrystall Simon Cox Mihai Duta Clive Emberey Hakki Eres Matt Fairman Carole Goble Mike Giles Ian Hartney Tracey Hunt Zhuoan Jiao Andy Keane Marc Molinari Juri Papay Graeme Pound Nicola Reader Angus Roberts Mark Scott Tony Scurr Nigel Shadbolt Paul Smart Barry Tao Jasmin Wason Fenglian Xu Gang “Luke” Xue Design Structural Optimisation Design Challenges 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” The Grid Problem “Flexible and secure sharing of resources among dynamic collections of individuals within and across organisations” Resources = assets, capabilities, and knowledge Capabilities (e.g. application codes, analysis tools) Compute Grids (PC cycles, commodity clusters, HPC) Data Grids Experimental Instruments Knowledge Services Virtual Organisations Utility Services Grid middleware mediates between these resources GEODISE Engineer GEODISE PORTAL Knowledge repository Ontology for Engineering, Computation, & Optimisation and Design Search Visualization Session database Traceability OPTIMISATION OPTIONS System APPLICATION SERVICE PROVIDER Intelligent Application Manager Reliability Security QoS CAD System CADDS IDEAS ProE CATIA, ICAD Globus, Condor, OGSA Optimisation archive COMPUTATION Licenses and code Analysis CFD FEM CEM Design archive Parallel machines Clusters Internet Resource Providers Pay-per-use Intelligent Resource Provider Geodise will provide grid-based seamless access to an intelligent knowledge repository, a state-of-the-art collection of optimisation and search tools, industrial strength analysis codes, and distributed computing & data resources GEODISE Demo (1) Security Infrastructure Authentication & Authorisation (2) Define Geometry to optimise Nacelle Design 3D (3) Sample Objective function to build Response Surface Model Grid Computing Axisymmetric (2D) GEODISE Demo (4) Optimise over Response Surface Model (5) Grid Database Query and Postprocessing of Results Coming next… Grid Computing using (.NET) web services http://www.geodise.org Knowledge Portal Knowledge Acquisition Coming next… Knowledge Technologies a) Annotating Design Optimisation Workflows using OntoMat-Annotizer b) Knowledge Portal http://www.geodise.org Workflow Requirements Flexibility Customise the workflow and its components initially Compose a work flow via drag & drop activity node component into an editor panel Link to knowledge and other services Monitoring Interact with the workflow or its components during simulation Job status Resource usage Maintainable Modify & re-use the workflow either in a GUI or in a human readable file Usability Easy to use by engineering users Workflow Tools: IBM Workflow Tools: Microsoft Grid Enabled Optimisation and Design Search for Engineering (GEODISE) Prof Simon Cox Southampton University http://www.geodise.org Workflow Requirements Flexibility Customise the workflow and its components initially Compose a work flow via drag & drop activity node component into an editor panel Link to knowledge and other services Monitoring Interact with the workflow or its components during simulation Job status Resource usage Maintainable Modify the workflow either in a GUI or in a human readable file Usability Easy to use by engineering users Matlab Matlab and toolboxes for mathematical computation, analysis, visualization, and algorithm development: “MATLAB is an intuitive language and a technical computing environment. It provides core mathematics and advanced graphical tools for data analysis, visualization, and algorithm and application development. With more than 600 mathematical, statistical, and engineering functions, engineers and scientists rely on the MATLAB environment for their technical computing needs.” (www.mathworks.com) Industry usage Aerospace Defense Automotive Biotech Pharmaceutical Medical CROSS PLATFORM/ OS Matlab Flexibility Integrated Development Environment Provides full GUI Support and can integrate code from Fortran, C, Java, & Web/ Grid Services Monitoring Maintainable Command line/ batch mode Matlab Scripts readable and editable by Engineers Usability Already in widespread use by Engineers Grid Computing from Matlab Globus commands (based on Java CoG v0.9.13) gd_CreateProxyCertVisual gd_BatchSubmit gd_JobStatus gd_GetFile (GSIftp v0.9.14) gd_PutFile (GSIftp v0.9.14) Database commands gd_archive gd_query gd_retrieve Coming next… Grid-enabled Mesh Generation and Computational Fluid Dynamics http://www.geodise.org Coming next… Database Archive, Query and Retrieve http://www.geodise.org The future of design optimisation Design Optimisation needs integrated services Design improvements driven by CAD tools coupled to advanced analysis codes (CFD, FEA, CEM etc.) On demand heterogeneous distributed computing and data spread across companies and time zones. Optimization “for the masses” alongside manual search as part of a problem solving environment. Knowledge based tools for advice and control of process as well as product. Geodise will provide grid-based seamless access to an intelligent knowledge repository, a state-of-the-art collection of optimisation and search tools, industrial strength analysis codes, and distributed computing and data resources Conclusions Grid is not just about computing Grid must be provided to users in a familiar environment Services need semantics Workflow is an important issue … Agnostic about operating system