Parallel FFT-based Poisson solver for isolated three-dimensional systems Original Research Article

We describe an implementation to solve Poissonʼs equation for an isolated system on a unigrid mesh using FFTs. The method solves the equation globally on mesh blocks distributed across multiple processes on a distributed-memory parallel computer. Test results to demonstrate the convergence and scaling properties of the implementation are presented. The solver is offered to interested users as the library PSPFFT.