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

摘要

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. New version program summary Program title: BEC-GP-OMP-FOR software package, consisting of: (i) imag1d-th, (ii) imag2d-th, (iii) imag3d-th, (iv) imagaxi-th, (v) imagcir-th, (vi) imagsph-th, (vii) real1d-th, (viii) real2d-th, (ix) real3d-th, (x) realaxi-th, (xi) realcir-th, (xii) realsph-th. Program files doi: http://dx.doi.org/10.17632/y8zk3jgn84.2 Licensing provisions: Apache License 2.0 Programming language: OpenMP GNU and Intel Fortran 90. Computer: Any multi-core personal computer or workstation with the appropriate OpenMP-capable Fortran compiler installed. Number of processors used: All available CPU cores on the executing computer. Journal reference of previous version: Comput. Phys. Commun. 180 (2009) 1888; ibid. 204 (2016) 209. Does the new version supersede the previous version?: Not completely. It does supersede previous Fortran programs from both references above, but not OpenMP C programs from Comput. Phys. Commun. 204 (2016) 209. Nature of problem: The present Open Multi-Processing (OpenMP) Fortran programs, optimized for use with commercially-licensed Intel Fortran and free open-source GNU Fortran compilers, solve the time-dependent nonlinear partial differential (GP) equation for a trapped Bose–Einstein condensate in one (1d), two (2d), an