1. Centre for Computational Science ‐ University College London 20 Gordon Street London WC1H 0AJ UK
2. Institut de Physique de Rennes ‒ UMR 6251 CNRS Université de Rennes Rennes 35000 France
3. Advanced Research Computing Centre University College London London WC1E 6BT UK
4. Computational Science Laboratory Institute for Informatics Faculty of Science University of Amsterdam Amsterdam 1098XH The Netherlands