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Enhancing sampling and analyzing simulations are central issues in molecular simulation. Recently, we introduced PLUMED, an open… Expand This paper presents a scalable high-performance software library to be used for graph analysis and data mining. Large… Expand High Performance Computing (HPC) or scientific codes are being executed across a wide variety of computing platforms from… Expand A simple but highly effective approach for transforming high-performance implementations on cache-based architectures of matrix… Expand This article describes the design rationale, a C implementation, and conformance testing of a subset of the new Standard for the… Expand The level 3 Basic Linear Algebra Subprograms (BLAS) are designed to perform various matrix multiply and triangular system solving… Expand We describe a family of caching protocols for distrib-uted networks that can be used to decrease or eliminate the occurrence of… Expand This paper describes an extension to the set of Basic Linear Algebra Subprograms. The extensions are targeted at matrix-vector… Expand This paper describes efficient new heuristic methods to color the vertices of a graph which rely upon the comparison of the… Expand A package of 38 low level subprograms for many of the basic operations of numerical linear algebra is presented. The package is… Expand