A methodology towards automatic implementation of N-body algorithms Original Research Article

We propose a methodology aimed at automating the software development of fast discrete transforms for N-body problems. The methodology starts with a representation of the transform matrix in compact form. Then, two translation phases are applied. One translates matrix notation to an intermediate form. The other translates the intermediate form to compilable code for a target computing environment. The generated target code employs a library of pre-defined and optimized routines. We apply our methodology systematically to implement the three-dimensional fast multipole method. We demonstrate the efficiency of our code in a molecular dynamics simulation.