Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations (Q2374010)
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scientific article; zbMATH DE number 6663144
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| English | Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations |
scientific article; zbMATH DE number 6663144 |
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Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations (English)
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14 December 2016
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fast Fourier transform (FFT)
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volumetric decomposition
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molecular dynamics (MD) simulation
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particle mesh Ewald (PME) calculation
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midpoint cell method
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hybrid (MPI+OpenMP) parallelization
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0.7605606913566589
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0.7273976802825928
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0.7261441946029663
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0.7237398624420166
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