georgestagg / 3d-gp-mpiomp

3D-GP-MPIOMP is a FORTRAN project designed to numerically solve the Gross-Pitaevskii equation (GPE) in three dimensions (3D) using MPI and OpenMP.

3D-GP-MPIOMP

3D-GP-MPIOMP is a FORTRAN project designed to numerically solve the Gross-Pitaevskii equation (GPE) in three dimensions (3D) using MPI and OpenMP.

Solving the GPE allows for qualitatively accurate simulations of Bose-Einstein Condensates (BECs) at zero temperature.
3D-GP solves the GPE using 4th order Runge-Kutta time stepping on a grid of points with regular spacing. User defined grid spacing and time step is supported.

Requirements

3D-GP requires NetCDF and NetCDF-Fortran installations to run. NetCDF is used to save compressed data files. On Ubuntu you can install the required packages by running:

sudo apt-get install libnetcdf11 libnetcdff6 libnetcdf-dev libnetcdff-dev

You can also create a local installation of NetCDF by downloading the source files from the NetCDF website and compiling them yourself. If you do this, be sure to build with parallel NetCDF support and make a note of the installation location as you will need it to install 3D-GP.

Installation

• Clone the git repository somewhere.

• Run ./install to setup. You can also run ./install <install-dir> to install to any desired installation location.

• New terminals should now be able to run make3dgp anywhere.

Running a Simulation

• Create a new simulation directory
• Enter the directory and run make3dgp to set up a simulation at your current location.
• Edit run.sh to set the number of parallel processes.
• Type ./run.sh to start the simulation.
• The simulation status is printed to screen.

Editing Parameters

To run a simulation with custom parameters

• Create a simulation as in Running a Simulation but do not run ./run.sh.
• Edit params.in to include any parameters you wish to change from their defaults and run make3dgp again to reflect the changes.
• Run ./run.sh to start the simulation.