README

README : GPSE

DESCRIPTION

    GPSE is a Fortran program created to numerically approximate 
    solutions of the time-dependent Gross-Pitaevskii equation (GPE) in 
    non-uniformly rotating frames of reference for a single component 
    Bose-Einstein condensate (BEC) in three dimensions. It implements a
    method-of-lines approach that combines an explicit, generalized 
    4th-order Runge-Kutta (GRK4) time-integration scheme* with 2nd- or 
    4th-order central differences (CD2/CD4) to discretize the spatial 
    derivatives of the equation.

    Zero Dirichlet boundary conditions are assumed to apply at the 
    boundary of the computational domain at all times in any given 
    simulation. As a result, gpse is best suited for investigating BECs
    confined within externally applied trapping potentials where the 
    condensate density decreases to zero at the boundary of the 
    computational domain.

    The GRK4 + CDX algorithm is implemented in parallel using a 
    one-dimensional slab decomposition of the computational domain 
    embedded within a hybrid MPI + OpenMP framework to enable scalable,
    high-resolution numerical simulations. A two-round communication 
    pattern, where even- and odd-numbered MPI processes alternate 
    between send and receive calls, is utilized to reduce communication
    overhead and improve message passing throughput.

    * See 'On A General Formula of Fourth Order Runge-Kutta Method' by 
      D. Tan and Z. Chen in the Journal of Mathematical Sciences & 
      Mathematics Education Vol. 7 No. 2 (2012).

USAGE

    make
    export OMP_NUM_THREADS=X
    mpirun -np Y ./gpse.x > gpse.output

DEPENDENCIES

    GPSE depends on the standard Message Passing Interface (MPI) module. 
    If USE :: MPI module is not supported, then INCLUDE 'mpif.h' header
    file. 

CITATION

    To cite the use of this work in a scientific publication, please use
    the following reference:

    @phdthesis{kandesmc:2015,
        author = "Kandes, M. C.",
        title = "Modeling the Effects of Inertial Forces on 
                Bose-Einstein Condensates in Rotating Frames of 
                Reference",
        school = "Claremont Graduate University \& San Diego State 
                 University",
        year = "2015",
    }

AUTHOR

     Marty Kandes, Ph.D.
     Computational & Data Science Research Specialist
     High-Performance Computing User Services Group
     San Diego Supercomputer Center
     University of California, San Diego

COPYRIGHT
     
     Copyright (c) 2014 - 2021 Martin Charles Kandes

LICENSE

     The MIT License (MIT)

LAST UPDATED

     Monday, August 2nd, 2021