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Contains build scripts and instructions for software on a variety of UK HPC resources
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aturner-epcc Merge pull request #26 from epcc-mjf/master
Add Nico's corrections for Deal.II
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ASE Add latest ASE Apr 24, 2019
Amber
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CP2K Update CP2K_6.1_ARCHER.md Feb 13, 2019
GPAW Add latest ASE Apr 24, 2019
GROMACS Merge branch 'master' into master Apr 2, 2019
HDF5
ICON-AES
LAMMPS
Libxc Say how long the Libxc and GPAW tests take Apr 8, 2019
NAMD
NWChem
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OASIS Update OASIS_ACRHER.md Sep 11, 2018
OpenFOAM Fixed headings Mar 28, 2019
Python Copied across from ARCHER build repo Mar 25, 2019
QMCPACK Copied across from ARCHER build repo Mar 25, 2019
QuantumEspresso Update qe641_archer_intel.md Apr 29, 2019
SAM
SIESTA Copied across from ARCHER build repo Mar 25, 2019
SIONlib
TensorFlow
VASP
deal.II Set LD_LIBRARY_PATH for Deal.II May 15, 2019
gcc Added Tesseract GCC 8 build instructions May 11, 2018
glibc
libmatheval
mpi4py Copied across from ARCHER build repo Mar 25, 2019
numpy
roms
scipy
swan
.DS_Store Added Ismabard GROMACS build instructions Sep 7, 2018
LICENSE
README.md Added information on how to contribute Mar 27, 2018

README.md

HPC Software Build Instructions

Contains information on building and optimising software for various HPC platforms.

This is a community resource and we are keen to have contributions from all.

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.

You can’t perform that action at this time.