ATUS-PRO PLAYGROUND

Introduction

The PLAYGROUND package is a collection of C++ programs designed to solve the non linear Schrödinger equation, especially the Gross--Pitaevskii equation. This is the active development branch of ATUS-PRO.

Requirements and Dependencies

• make, cmake
• gcc, g++, gfortran
• Modules (highly recommended)
• Steel Bank Common Lisp (recommended for install script)
• gnuplot
• Paraview (optional)

The following packages are required and will be installed via the install script:

• openmpi 3.0.0 (https://www.open-mpi.org/)
• gnu gsl 2.4 (https://www.gnu.org/software/gsl/)
• nlopt 2.4.2 (http://ab-initio.mit.edu/nlopt)
• muparser 2.2.5 (http://beltoforion.de/article.php?a=muparser)
• lapack 3.8.0 (http://www.netlib.org/lapack/)
• p4est 2.0 (http://p4est.org/)
• petsc 3.8.2 (http://www.mcs.anl.gov/petsc/)
• deal.ii 8.5.1 (http://www.dealii.org/)

The following third party packages are included in the source tree:

• pugixml (https://pugixml.org/)
• String Toolkit (https://www.partow.net/programming/strtk/index.html)
• CXXOPTS (https://github.com/jarro2783/cxxopts)

Installation

It is highly recommended to use our install script which downloads all required packages and installs everything in $HOME/local/ by default. In order to run this script Steel Bank Common Lisp (sbcl) is required.

Further we recommended the use of environmental modules (http://modules.sourceforge.net/) for setting up all paths. Modules should be available via your Linux distribution. The install script also generates module files which are located in $HOME/local/modules. The search paths for the module files needs to be extended by adding your path to $MODULEPATH of your shell.

The binaries are installed in $HOME/bin. Make sure that this folder is added to $PATH of your shell.

Install local dependencies

Make sure that the install script install_8.5.1 is executable. This scripts requires an active internet connection.

In the playground folder invoke on the command line the install script via: ./install_8.5.1 -j 4

Then select 'a' for all packages and press enter. This will take a while depending on your computer speed. The -j option specifies the number of utilized cores. At the end of the installation confirm the the extension of the MODULEPATH environmental variable. This adds the local module files folder.

• Run: module avail (check the available modules)
• Run: module load atus-pro-git-meta (load all required modules)
• Create a build folder below playground: mkdir Build
• Change to Build folder: cd Build
• Run: cmake ..
• Run: ccmake . or cmake-gui . (Check the CACHE. The base paths of the library files should point to /home/yourname/local/opt/. )
• Build: make -j 4
• Test: make test or ctest -V (verbose output)