Download Visual Grid Application Development Environments

Visual Grid Application Development
Environments:
Parametric and Parallel Models for Creating
Distributed Applications
Shoaib Burq, Steve Melnikoff, Rajkumar Buyya
Grid computing & Distributed Systems (GRIDS) Lab.
The University of Melbourne
Melbourne, Australia
www.gridbus.org/
GRIDS
Agenda
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2
Motivation
Architecture and Java Based Implementation
Case Study: Molecular Docking
Demo
Conclusions and Future Work
Visual Parametric Tool (VPT)
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3
Rapid parameterisation for application
scientists
Creation & maintenance of parameter sweep
applications/projects
Creation of Nimrod-G run-files
Platform independent (Java)
Open source
Parametric Sweep Applications
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Distribution Model
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Data and Information Model
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Parameters form basis for parallelism
Parameter Studies
Declarative language
Parameterisation of input files/scripts
Architecture of VPT
Data
FileData
File
Data
File
2. File independent
Parameterization
GRIDS
Paramete
r object
GRIDS
Paramete
GRIDS
r object
Paramete
r object
(Generate Plan File)
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Import
Data files
Project
object
1. File specific
Parameterization
GRIDS
Paramete
GRIDS
r object
Paramete
GRIDS
r object
Paramete
r object
Visual
Parameterizatio
n
Tool
Plan File
Run File
parameter X integer default 1
parameter Y integer range 1 to 10
….
variable X constant 1
variable Y index 0 list 1….
Jobs …
(Generate Run File)
Distributed Data
Scheduler
Case Study and Demo
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6
Parameterize a molecular docking input file
Generate Nimrod-readable runfile
> java -cp VPTClasses.jarGridBus2.GBProject
Drug Design: Data Intensive
Computing on Grid
Molecules
Protein
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Chemical Databases
(legacy, in .MOL2 format)
It involves screening millions
of chemical compounds
(molecules) in the Chemical
DataBase (CDB) to identify
those having potential to
serve as drug candidates.
[Collaboration with WEHI for Medical Science, Melbourne]
Molecular Docking Application
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Docking Task Definion
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Conclusion and Future Developments
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It works!
To support creation of abstract parameters
(e.g., logical files for HEP community)
Support other distributed application
construction model
Integration with some popular cluster and
Grid job management systems
That’s all folks…
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Any Question?