Install notes for NASA/Discover

This installation is fairly straightforward because most of the work has already been done by the NASA/Discover staff, namely Jules Kouatchou.

First, add the following lines to your ~/.bashrc file and source it:

module purge
module load other/comp/gcc-4.9.1
module load lib/mkl-15.0.0.090
module load other/Py3Dist/py-3.4.1_gcc-4.9.1_mkl-15.0.0.090
module load other/mpi/openmpi/1.8.2-gcc-4.9.1

export BUILD_HOME=$HOME/build
export PYTHONPATH=$HOME/dedalus2

This loads the gcc compiler, MKL linear algebra package, openmpi version 1.8.2, and crucially various python3 libraries. To see the list of python libraries,

listPyPackages

We actually have all the python libraries we need for Dedalus. However, we still need fftw. To install fftw,

mkdir build

cd $BUILD_HOME
wget http://www.fftw.org/fftw-3.3.4.tar.gz
tar -xzf fftw-3.3.4.tar.gz
cd fftw-3.3.4

./configure --prefix=$BUILD_HOME \
                     CC=mpicc \
                     CXX=mpicxx \
                     F77=mpif90 \
                     MPICC=mpicc MPICXX=mpicxx \
                     --enable-shared \
                     --enable-mpi --enable-openmp --enable-threads

make
make install

All that remains is to pull Dedalus down from Bitbucket and install it.

cd $HOME
hg clone https://bitbucket.org/dedalus-project/dedalus2

export FFTW_PATH=$BUILD_HOME
export HDF5_DIR=$BUILD_HOME
export MPI_DIR=/usr/local/other/SLES11.1/openMpi/1.8.2/gcc-4.9.1
cd $HOME/dedalus2
python3 setup.py build_ext --inplace