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Chemistry GRID and its application for air pollution forecast
Computer and Automation Research Institute of the Hungarian Academy of Sciences (MTA SZTAKI)
Hungarian Meteorological Service (OMSZ)
Institute of Chemistry, Chemical Research Center of the Hungarian Academy of Sciences (MTA KKI)
Department of Physical Chemistry, Eötvös University (ELTE FKT)
Chemistry GRID and its application for air pollution forecast
Research area: Grid systems
Interconnection of geographically distributed and high performance or large number of resources to solve complex problems
Internet
Chemistry GRID and its application for air pollution forecast
Hungarian Cluster Grid(Ministry of Education)
2002 : 42 PC Linux clusters with 882 PCs
2003 : 99 PC Linux clusters with 2079 PCs
2.5 Gb/s Internet
Chemistry GRID and its application for air pollution forecast
Goals of the joint project
GRID, as a distributed system built to support a specific scientific area Chemistry GRID
GRID, as a distributed supercomputing system Parallel execution of chemical applications
GRID, as a distributed IT system for supporting complex collaborative work technical preparation: forecast of air pollution, smag
warning plans
Chemistry GRID and its application for air pollution forecast
Goals I: Chemistry GRID
Strong collaboration with SYMBEX (EU COST) project Establishment of an integrated international
metalaboraty, and development of common chemistry software systems
5 chemist and 5 IT partners from 6 countries• MTA SZTAKI, MTA KKKI
P-GRADE system (MTA SZTAKI): common tool for the parallelisation of applications
Task: integration of P-GRADE in SYMBEX Grid Hungarian chemical programs, which are parallelised
in P-GRADE, will be capable to run on SYMBEX Grid Hungarian chemists will be able to access to the
SYMBEX Grid
Chemistry GRID and its application for air pollution forecast
Parallelisation of programs: P-GRADE (MTA SZTAKI)
Integrated graphical program development environment
Efficient parallelisation of sequential programs
Support for each stage of development life-cycle design execution debugging performance
analysis
Chemistry GRID and its application for air pollution forecast
P-GRADE programs on the entire range of distributed systems
Super-computers
2100 2100 2100 2100
2100 2100 2100 2100
Clusters Grid
GFlops
Mainframes
P-GRADE
P-GRADE
P-GRADE
Chemistry GRID and its application for air pollution forecast
Goals II: Supercomputing Grid
Tasks:parallelisation of specific chemical applications
by means of P-GRADE development environment: modelling: kinetics/dynamics of elementary reactions
(MTA KKKI) modelling of reaction-diffusion systems with
sophisticated chemical mechanisms – calculation of air pollution (ELTE FKT)
Further development of P-GRADE to support Grid applications: Migration of applications in the Grid Development of efficient information system for
handling of grid resources
Chemistry GRID and its application for air pollution forecast
Migration in Grid
m0 m1
P-GRADEGUI
Szeged
Budapest n0 n1
Miskolc1
P-GRADE program downloaded to Miskolc
cluster
2
P-GRADE program runs at the Miskolc cluster
Miskolc cluster overloaded => checkpointing
3
P-GRADE program migrates to Budapest
4P-GRADE program runs at the Budapest cluster
Chemistry GRID and its application for air pollution forecast
Goals III:Complex collaborative application
Task: Forecast of air pollution in Hungary
• Modelling of air polluted atmosphere by parallel applications – ozone near to surface (ELTE FKT, MTA KKKI, MTA SZTAKI)
• Integration to meteorological forecasting program (OMSZ)
EU directive on the measurement of surface ozone:
• obligatory short-range forecasting• information providing to resident population
Chemistry GRID and its application for air pollution forecast
Application for air pollution forecast
Execution Short-range forecast - operative running (OMSZ)
• supercomputer (IBM Regatta)• co-operating with ALADIN meteorological forecast
model Technical preparation of smog warning plans
• Running on the grid larger computational capacity
• Simulation of the former smog events and analysis of the efficiency of smog alarm plans
• Demonstration project for the further complex Grid applications
Chemistry GRID and its application for air pollution forecast
Application for air pollution forecast
Distribution of ozone near to surface Aug. 1998
Potential users environmental
authorities local
governments media
Chemistry GRID and its application for air pollution forecast
Summary
Goals: Chemistry GRID
• co-operation with SYMBEX (EU COST) project Application development for Chemistry GRID
• P-GRADE parallel development environment Further development of P-GRADE for execution
of Grid program• Migration of applications in Grid• Grid resource information system
Complex collaborative application: air pollution forecast in Hungary• distribution of ozone near to surface level