Parallel implementation of a mesh-based
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Y. S. Li; M. C. Wrinn; J. M. Newsam; M. P. Sears
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Article
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1995
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John Wiley and Sons
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English
โ 807 KB
We describe the implementation of the mesh-based first-principles density functional code DMol on nCUBE 2 parallel computers. The numerical mesh nature of DMol makes it naturally suited for a massively parallel computational environment. Our parallelization strategy consists of a domain decompositio