Parallel FFT-based Poisson Solver for Isolated Three-dimensional Systems

TL;DR

This paper presents a parallel FFT-based solver for Poisson's equation in 3D isolated systems, demonstrating its scalability and convergence on distributed-memory systems.

Contribution

It introduces PSPFFT, a library implementing a parallel FFT-based Poisson solver for large-scale 3D isolated systems on distributed-memory architectures.

Findings

Demonstrates convergence of the solver

Shows scalability on distributed-memory systems

Provides a usable library for researchers

Abstract

We describe an implementation to solve Poisson's 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.