Abstract
This chapter describes the parallelization of GROMOS96, a molecular dynamics simulation code, on SCI-interconnected cluster architectures.
The simulation of the dynamics of molecular systems is one of the central topics in scientific high-performance computing. It has been subject to parallel processing already for a long time. GROMOS96 [16] is a well-known code in this area with a quite long history. It is the successor of GROMOS87, which has been re-designed for improved functionality and performance, including a parallel implementation for shared memory Silicon Graphics multiprocessors [7].
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Dormanns, M. (1999). Shared Memory Parallelization of the GROMOS96 Molecular Dynamics Code. In: Hellwagner, H., Reinefeld, A. (eds) SCI: Scalable Coherent Interface. Lecture Notes in Computer Science, vol 1734. Springer, Berlin, Heidelberg. https://doi.org/10.1007/10704208_29
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DOI: https://doi.org/10.1007/10704208_29
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