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A GridFMO application was developed by recoining the fragment molecular orbital (FMO) method of GAMESS with grid technology. With the GridFMO, quantum calculations of macro molecules become possible by using large amount of computational resources collected from many moderate-sized cluster computers. A new middleware suite was developed based on Ninf-G, whose fault tolerance and flexible resource...
This paper describes the implementation of Grid-enabled hybrid Quantum Mechanics/Classical Molecular Dynamics (QM/MD) Simulation. The Grid-enabled QM/MD simulation is capable of (1) dynamic resource allocation and migration, (2) automatic recovery from faults, and (3) managing large number of CPUs in geographically distributed sites. In the implementation, both GridRPC and MPI are used to complement...
The effectiveness of standard Grid middleware has been evaluated through the work of “gridifying” a legacy program. As a case study, we have gridified a typical parameter survey program called barotropic S-model which aims to predict short- to middle-term weather change accurately. Ninf-G was used to gridify the system. It was found that the program could be easily gridified using Ninf-G without worrying...
GridRPC, which is an RPC mechanism tailored for the Grid, is an attractive programming model for Grid computing. This paper reports on the design and implementation of a GridRPC programming system called Ninf-G. Ninf-G is a reference implementation of the GridRPC API which has been proposed for standardization at the Global Grid Forum. In this paper, we describe the design, implementations and typical...
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