Instructions on how to build packages installed by the CSE team on ARCHER (Cray XC30, Intel Ivy Bridge).
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Amber
CASTEP
GROMACS
NAMD
Python
QMCPACK
SAM
SIESTA
SIONlib
VASP
deal.II
mpi4py
numpy
.gitignore
LICENSE
README.md

README.md

Software on ARCHER

This repository contains instructions and resources for building software on the ARCHER UK national supercomputing service.

How to Contribute

To contribute to these resources, first you have to fork it on GitHub and clone it to your machine, see Fork a Repo for the GitHub documentation on this process.

Once you have made your changes and updated your Fork on GitHub you will need to Open a Pull Request.