vasp_soft install

1. Phonopy

1 2	$module load python/2.7.9-gcc-4.8.5 $python setup.py install --user

1	$vi ~/.bashrc

In the vim:

1
2
3

export PYTHONPATH = ~/.local/bin:$PYTHONPATH
export PATH = ~/.local/bin/python2.7/site-packages:$PYTHONPATH
alias phonopy ="~/.local/bin/phonopy"

Here, ~ stand for the parent path for the folder “.local” and you can use os.path.dirname(.local) to get that.

Most of the installation is same as phonopy. But you should add below in step [3]:

1 2	$module load lapack/3.5.0-gcc-4.8.5 $module load openblas/0.2.20-gcc-4.8.5

And the environment variables setting is the same.