wannier90

About

wannier90 is an open-source code (released under GPLv2) for generating maximally-localized Wannier functions and using them to compute advanced electronic properties of materials with high efficiency and accuracy.

Supported versions

To check which wannier90 versions and build types are currently supported on Discoverer, execute on the login node:

module avail wannier90

The recipe followed to build the source code is available at:

https://gitlab.discoverer.bg/vkolev/recipes/-/tree/main/wannier90

Loading/Compiler affinity

Currently, we support only Intel oneAPI build.

Intel oneAPI (Open MPI)

module avail wannier90/*/*-intel-openmpi

Intel oneAPI (MPICH)

module avail wannier90/*/*-intel-openmpi

Getting help

See Getting help