GEODISE: Grid-enabled toolkits for the Engineer Andrew Price UK e-Science Programme, Booth 2140 SC 2004, Pittsburgh, USA 10 th November 2004 © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Grid Enabled Optimisation and Design Search for Engineering (GEODISE) Simon Cox- Technical Director Southampton e-Science Centre. Grid/ W 3 C Technologies and High Performance Computing 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 © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
The GEODISE Team • • • • Richard Boardman Sergio Campobasso Liming Chen Mike Chrystall Trevor Cooper-Chadwick Simon Cox Mihai Duta Clive Emberey Hakki Eres Matt Fairman Mike Giles Carole Goble Ian Hartney Tracey Hunt Zhuoan Jiao • • • • Andy Keane Marc Molinari Graeme Pound Colin Puleston Nicola Reader Angus Roberts Mark Scott Nigel Shadbolt Wenbin Song Paul Smart Barry Tao Lisa Telfer-Brunton Ivan Voutchkov Jasmin Wason Fenglian Xu Gang Xue © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Outline • • • Description of Design Search and Optimisation GEODISE Solution Compute Toolbox Database Toolbox Applications © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Design Optimisation • What is Engineering Design Search & Optimisation (EDSO)? Ø Improving designs by exploiting engineering modelling and analysis. Ø Systematically modifying variables in a design to increase, or reduce a quality measure (called the objective function), within certain constraints. Ø Involves computational and data intensive processes. © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Geodise Solution • • Bring Grid Technology to Engineers Ø Develop tools that are easy to learn and to use. Ø Integration into environments familiar to engineers (e. g. Matlab, Jython). Geodise Toolboxes Compute Toolbox – enables applications to run on the Grid. Database Toolbox – manages data produced by the grid applications. XML Toolbox – converts Matlab/Jython data structures to/from XML. Knowledge Toolbox – uses knowledge from domain experts to provide advice; tools to support function and workflow annotations. Workflow Tool – helps engineers to construct, execute, monitor and manage workflows. © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Compute Toolbox Architecture Matlab Environment script. m gd_jobsubmit. m gd_getfile. m Java Co. G GRAM job submission Globus GT 2 Resource Grid. FTP file transfer GRAM Service Grid. FTP Service © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Certificate Management Functions gd_certinfo Returns information about the user's certificate gd_createproxy Creates a Globus proxy certificate gd_proxyinfo Returns information about the user's proxy certificate gd_proxyquery Queries whether a valid proxy certificate exists gd_destroyproxy Destroys the local copy of the user's Globus proxy certificate © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Certificate Management C: GEODISE >> gd_createproxy © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Job Submission Functions gd_jobstatus Gets the status of a Globus GRAM job gd_jobsubmit Submits a compute job to a Globus GRAM job manager gd_jobpoll Queries the status of a Globus GRAM job until complete gd_jobkill Kills a Globus GRAM specified by a job handle gd_chmod Changes file permissions of a file on a Globus resource gd_condorsubmit Submits a job to a Condor pool via a Globus resource gd_submitunique Submits a GRAM job to a unique working directory gd_listjobs Returns all the job handles belonging to the user © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Job Submission C: GEODISE >> RSL = '&(executable="/bin/date")(stdout="date. out")'; >> host = 'grid-compute. oesc. ox. ac. uk'; >> jobhandle = gd_jobsubmit(RSL, host) jobhandle = https: //escience-dept 2. sesnet. soton. ac. uk: 30001/30705/1098694366/ >> isdone = gd_jobpoll(jobhandle) isdone = 1 >> © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Grid. FTP File Transfer gd_getfile Retrieves a remote file using Grid. FTP gd_putfile Puts a remote file using Grid. FTP gd_transferfile Performs a third-party file transfer using Grid. FTP gd_makedir Creates a remote directory using Grid. FTP gd_listdir Lists the contents of a directory on a Grid. FTP resource gd_fileexists Tests the existence of files on a Globus resource gd_rmdir Deletes a remote directory using Grid. FTP gd_rmfile Deletes a remote file using Grid. FTP gd_rmuniquedir Deletes a remote directory and its contents © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
File Transfer C: GEODISE >> exists = gd_fileexists(host, 'date. out') exists = 1 >> gd_getfile(host, 'date. out', 'localfile. txt'); >> type('localfile. txt') Mon Oct 25 09: 52: 46 BST 2004 >> gd_rmfile(host, 'date. out'); >> exists = gd_fileexists(host, 'date. out') exists = 0 >> © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Data Management Challenges 1 0 0 0 2 0 0 0 3 • Data may be generated from distributed applications running on the Grid. • Traditionally data stored on file systems with little descriptive information – hard to find and share. • Engineers may want to access the data from distributed locations. © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Need Metadata e iev res Database tr Re uctu r St ry ue Q Locate Files Ret rie File ve s Metadata Archive Metadata airfoil cad obj=2 Ar ta chiv e St ru ctu re Da s Globus Server Archive 1 0 0 x. y. z = 43 0 2 0 0 0 3 Files © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Database Toolbox Overview • • • Store data with descriptive information Ø Standard and application specific metadata. Ø Query over metadata to easily locate required data. Ø Data retrieval based on ID rather than location. Familiar interface for engineers Ø Wrap toolbox as Matlab/Jython functions – easy integration. Ø Can be used in Matlab/Jython scripts – popular among engineers. Support data aggregation (data groups) concept. Central and local databases (shared vs. personal). Secure Web service access to central database over SSL. Ø Certificate-based authentication and authorisation. © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Architecture © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Applications - Geodise CFD 3 D engine nacelle optimisation 0 1 2 Conventional Inlet • • Negative Scarf Inlet Goal - reduce ground noise generated by fan when plane takes off. Optimise aerodynamic performance when scarf angle is varied. © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Applications - GEM Electromagnetic optimisation Transmission of light properties through a photonic crystal. Parameters are radius of holes and light wavelength. • • Large number of designs, parameters and solutions. Query for a particular data range to postprocess. © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Applications – GENIE Tuning Earth system model components • • • GENIE supports environmental scientists modelling long term climate change. Optimising a parameterised model over a multi-dimensional state space. Database used for monitoring, sharing, post-processing and fault tolerance. Default Tuned Target © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
Summary • • Design Search and Optimisation Computation/ Middleware Ø Compute Toolkit • Globus & Condor • Using UK Level 2 Grid • • Ø Workflow in Matlab Database Ø XML Toolkit Ø Database Toolkit • Archive for Files • Archive for Metadata • Query & Retrieve Geodise toolkits exploited by a variety of applications “Build complex things from lots of simple things” © Geodise Project, University of Southampton, 2004. http: //www. geodise. org/
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