D8.2: Refactoring and Algorithm Re-engineering Guides and Reports

The present document provides a snapshot of the contents of the PRACE-2IP work package 8 (hereafter WP8) web site (http://prace2ip-wp8.hpcforge.org) at the time of submission. The WP8 web site has been implemented to keep track of and publish the work accomplished in the work package in terms of re-design and refactoring of numerical codes, documentation, user guides, and publications. This was needed in order to deploy an effective instrument both to support and optimise collaborative work among the different groups involved in the development of the various applications, and to give to the scientific community an effective way to gain insight into the details of the on-going work, to the achieved results and to access the released software. The first part of the document provides technical details on the web infrastructure, introducing the basic adopted technologies, and describes its design and organisation. The FusionForge and the MediaWiki software represent the main tools exploited for creating the web site, proving to be specifically suitable to develop the intended web platform. In the second part, the status of the code refactoring work carried out in WP8 is presented. In the work package a number of applications, designed to perform large-scale numerical simulations in various scientific areas, namely Astrophysics, Material Science, Climate, Particle Physics and Engineering, are being re-designed and re-implemented in order to efficiently and effectively exploit the coming generation of supercomputing architectures. The work accomplished on each code is summarised and a few preliminary results shown, providing guidelines to the contents of the web site, where all the details are available. Finally, an outlook toward the next (and final) steps of the work package, is given, summarising the remaining activities. It is worth stressing how the adopted working methodology (based on a close collaboration between researchers and computational scientists) has allowed an early initiation of the process of validation and reintroduction of the codes in the users’ community, originally expected for the last months of WP8. A few of these codes (e.g. ABINIT, Quantum ESPRESSO or RAMSES) are even already adopted for current scientific production