Multi-core and Multi-Process Parallel Programming with Molecular Dynamic Algorithm [EN] (original) (raw)
This report is a result of a study about Molecular Dynamic Algorithm (MD). In this work MD simulation source code written in C is provided. The goal of this work is study a MD program simulation, his sequential algorithm complexity, and implement a multi-core parallel version in two different programming paradigms: Shared Memory and Distributed memory. The shared memory version of MD will be achieved using OpenMP-an API for multi-platform shared-memory parallel programming in C/C++ and Fortran. The distributed version of MD will be achieved using MPI (Message Passing Interface) using OpenMPI an high performance message passing library. Initially, we'll study the program organization (with gprof and callgrind) and study his complexity. For all MD implementations we're going to produce a performance analysis using compute-641 node of SeARCH Cluster and draw some conclusions.
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