batman.chem.jyu.fi

To prepare the compilation, we need to load the required modules and clean the environment:

> module purge # remove all modules
> module add mpt
> module add mkl
> unset CC CFLAGS LDFLAGS

We have to change customize.py to get the libs and the right compiler:

# uncomment and change in customize.py
libraries += ['mpi','mkl']

mpicompiler = 'gcc'
custom_interpreter = True

Then compile as usual (python setup.py build). This will build the custom python interpreter for parallel use also.