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Longchamp Bag,champ0079,electronic structure calculations speedups of up

Longchamp Bag,champ0079,electronic structure calculations speedups of up

´╗┐Three-dimensional Fast Fourier Transforms (FFTs) are the main computational task in plane wave electronic structure calculations. Obtaining a high performance on a large numbers of processors is non-trivial on the latest generation of parallel computers that consist of nodes made up of a shared memory multiprocessors. A non-dogmatic method for obtaining high performance for such 3-dim FFTs in a combined MPI/OpenMP programming paradigm will be presented. Exploiting the peculiarities of plane wave electronic structure calculations, speedups of up to 160 and speeds of up to 130 Gflops were obtained on 256 processors. Focusing on the existing location technology limited the performance of the algorithm, distributed data location strategies DLPSL based on weights of jump table is presented to solve the efficiency problem. Weights are added to nodes of jump table, so that the Longchamp Online Outlet high rate of Longchamp Bag location of the storage node priority is found to short the search path, and improve the storage and location efficiency. System analysis shows that, the node's insertion, deleting, and location on DLPSL are more efficient than single-linked list storage structure and skip graphic. Its time complexity is 0(log n), and space complexity is 0(n).
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