1. GEODISE: Grid-enabled toolkits for the Engineer
Andrew Price
UK e-Science Programme, Booth 2140
SC2004, Pittsburgh, USA
10th November 2004
© Geodise Project, University of Southampton, 2004.

2. Grid Enabled Optimisation and Design Search for Engineering (GEODISE)
Simon Cox- Technical Director Southampton e-Science Centre. Grid/ W3C 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)
Nigel Shadbolt- Director of Advanced Knowledge Technologies (AKT) IRC
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
© Geodise Project, University of Southampton, 2004.

3. © Geodise Project, University of Southampton, 2004.
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.

4. © Geodise Project, University of Southampton, 2004.
Outline
Description of Design Search and Optimisation
GEODISE Solution
Compute Toolbox
Database Toolbox
Applications
© Geodise Project, University of Southampton, 2004.

5. © Geodise Project, University of Southampton, 2004.
Design Optimisation
What is Engineering Design Search & Optimisation (EDSO)?
Improving designs by exploiting engineering modelling and analysis.
Systematically modifying variables in a design to increase, or reduce a quality measure (called the objective function), within certain constraints.
Involves computational and data intensive processes.
© Geodise Project, University of Southampton, 2004.

6. © Geodise Project, University of Southampton, 2004.
Geodise Solution
Bring Grid Technology to Engineers
Develop tools that are easy to learn and to use.
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. i
© Geodise Project, University of Southampton, 2004.

7. Compute Toolbox Architecture
Matlab Environment
script.m
gd_jobsubmit.m
gd_getfile.m
Java CoG
GRAM
job submission
GridFTP
file transfer
Globus GT2 Resource
GRAM
Service
GridFTP
Service
© Geodise Project, University of Southampton, 2004.

8. 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.

9. Certificate Management
C:\GEODISE
>> gd_createproxy
© Geodise Project, University of Southampton, 2004.

10. 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.

11. © Geodise Project, University of Southampton, 2004.
Job Submission
C:\GEODISE
>> RSL = '&(executable="/bin/date")(stdout="date.out")';
>> host = 'grid-compute.oesc.ox.ac.uk';
>> jobhandle = gd_jobsubmit(RSL, host)
jobhandle =
>> isdone = gd_jobpoll(jobhandle)
isdone = 1
>>
© Geodise Project, University of Southampton, 2004.

12. © Geodise Project, University of Southampton, 2004.
GridFTP File Transfer
gd_getfile
Retrieves a remote file using GridFTP
gd_putfile
Puts a remote file using GridFTP
gd_transferfile
Performs a third-party file transfer using GridFTP
gd_makedir
Creates a remote directory using GridFTP
gd_listdir
Lists the contents of a directory on a GridFTP resource
gd_fileexists
Tests the existence of files on a Globus resource
gd_rmdir
Deletes a remote directory using GridFTP
gd_rmfile
Deletes a remote file using GridFTP
gd_rmuniquedir
Deletes a remote directory and its contents
© Geodise Project, University of Southampton, 2004.

13. © Geodise Project, University of Southampton, 2004.
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');
>>
© Geodise Project, University of Southampton, 2004.

14. Data Management Challenges
1 0 0
0 2 0
0 0 3
Existing commercial packages not suitable for Grid applications.
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.

15. © Geodise Project, University of Southampton, 2004.
Need Metadata
Database
Archive
Metadata
Metadata
obj=2
airfoil
cad
Retrieve Files
Retrieve Structures
Query
Locate
Files
Archive
Data Structures
1 0 0
0 2 0
0 0 3
x.y.z = 43
Globus
Server
Archive
Files
Large volume of data - generated at different locations with different characteristics.
Data stored on file systems – hard to find, so need metadata.
Metadata should be flexible enough to describe application-specific data.
Require efficient data management, but low learning curve to use the toolbox.
Support secure and reliable data sharing and reuse.
© Geodise Project, University of Southampton, 2004.

16. Database Toolbox Overview
Store data with descriptive information
Standard and application specific metadata.
Query over metadata to easily locate required data.
Data retrieval based on ID rather than location.
Familiar interface for engineers
Wrap toolbox as Matlab/Jython functions – easy integration.
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.
Certificate-based authentication and authorisation.
© Geodise Project, University of Southampton, 2004.

17. © Geodise Project, University of Southampton, 2004.
Architecture
© Geodise Project, University of Southampton, 2004.

18. Applications - Geodise
CFD 3D engine nacelle optimisation
Negative Scarf Inlet
Conventional Inlet 1 2
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.

19. 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 post-process.
© Geodise Project, University of Southampton, 2004.

20. © Geodise Project, University of Southampton, 2004.
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.

21. Summary Geodise toolkits exploited by a variety of applications
Design Search and Optimisation
Computation/ Middleware
Compute Toolkit
Globus & Condor
Using UK Level 2 Grid
Workflow in Matlab
Database
XML Toolkit
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.