Ahti

Acellerated

High Performance Simulation of the

Time Dependent Schrödinger Equation

In Various environments

Pre-Installation

Building an OpenMP enabled FFTW

Ahti requires an OpenMP enabled FFTW. Since this is not the default on most systems, there is a script provided to automate this process. The given script will install FFTW3 with OpenMP enabled but no further options into utils/fftw3.

To install FFTW3 do

cd utils
./install_omp_fftw.sh

If you wish to achieve further performance gains check out what the architecture you are working on has available. You can add the AVX2 and further options found here by adding the option the here in install_omp_fftw.sh

./configure --prefix=$PWD/../fftw3 --enable-openmp

Dependencies

Ahti requires the following dependencies:

HDF5 
Boost
OpenMP

Building Ahti

Simply execute the following commands

mkdir build
cd build
cmake .. 
make

The cmake options CUSTOM_FFTW, DEBUG_BUILD, TOTEST are enabling the test-builds. Debug and testing is disabled by default and has to be added during the cmake stage.