OpenMP GNU and Intel Fortran programs for solving the time-dependent Gross-Pitaevskii equation

TL;DR

This paper introduces optimized OpenMP Fortran programs for solving the Gross-Pitaevskii equation across multiple dimensions, enabling efficient simulations of Bose-Einstein condensates on multi-core processors.

Contribution

It provides a new OpenMP-optimized Fortran implementation for solving the GP equation, compatible with GNU and Intel compilers, with detailed user guidance and performance testing.

Findings

Efficient parallel algorithms for GP equation simulation.

Compatibility with GNU and Intel Fortran compilers.

Speedup results demonstrate improved performance on multi-core systems.

Abstract

We present Open Multi-Processing (OpenMP) version of Fortran 90 programs for solving the Gross-Pitaevskii (GP) equation for a Bose-Einstein condensate in one, two, and three spatial dimensions, optimized for use with GNU and Intel compilers. We use the split-step Crank-Nicolson algorithm for imaginary- and real-time propagation, which enables efficient calculation of stationary and non-stationary solutions, respectively. The present OpenMP programs are designed for computers with multi-core processors and optimized for compiling with both commercially-licensed Intel Fortran and popular free open-source GNU Fortran compiler. The programs are easy to use and are elaborated with helpful comments for the users. All input parameters are listed at the beginning of each program. Different output files provide physical quantities such as energy, chemical potential, root-mean-square sizes, densities, etc. We also present speedup test results for new versions of the programs.