Probing the Applicability of Polarizable Force-Field Molecular Dynamics for Parallel Architectures: A Comparison of Digital MPI with LAM-MPI and MPICH2

Benjamin Almeida, Reema Mahajan, Dieter Kranzlmüller, Jens Volkert, Siegfried Höfinger. Probing the Applicability of Polarizable Force-Field Molecular Dynamics for Parallel Architectures: A Comparison of Digital MPI with LAM-MPI and MPICH2. In Beniamino Di Martino, Dieter Kranzlmüller, Jack Dongarra, editors, Recent Advances in Parallel Virtual Machine and Message Passing Interface, 12th European PVM/MPI Users Group Meeting, Sorrento, Italy, September 18-21, 2005, Proceedings. Volume 3666 of Lecture Notes in Computer Science, pages 433-440, Springer, 2005. [doi]

Abstract

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