Unified development solution for cluster and grid computing and its application in chemistry

Abstract

P-GRADE programming environment provides high-level graphical support to develop parallel applications transparently for both the parallel systems and the Grid. This paper gives an overview on the parallelisation of a simulation algorithm for chemical reaction-diffusion systems applying P-GRADE environment at all stages of parallel program development cycle including the design, the debugging, the execution, and the performance analysis. The automatic checkpoint mechanism for parallel programs, which supports the migration of parallel jobs between different clusters, together with the application monitoring facilities of P-GRADE enable the long-running parallel jobs to run on various non-dedicated clusters in the Grid while their execution can be visualised on-line for the user. The presented research achievements will be deployed in a chemistry Grid environment for air pollution forecast. © Springer-Verlag 2004.