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.