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13 May 2016 | | Contributor(s):: Dhabih Chulhai, Lasse Jensen
Simulate surface-enhanced Raman spectra from polarizabilities and fields and gradients
Non-Blocking Conjugate Gradient Methods for Extreme Scale Computing
05 Feb 2016 | | Contributor(s):: Paul Eller
Many scientific and engineering applications use Krylov subspace methods to solve large systems of linear equations. For extreme scale parallel computing systems, the dot products in these methods (implemented using allreduce operations in MPI) can limit performance because they are a...