PETSc

PETSc (the Portable, Extensible Toolkit for Scientific Computation) is an open source library for scientific computations written in C. It provides a generic framework to manipulate vectors and sparse or dense matrices, solve linear systems, etc. It offers a unified interface to a variety of different algorithms and implementations. In other words, a unique interface is provided as a frontend for different algorithms which can be selected either adding a switch to the command line or by calling an appropriate function. PETSc is built on top of BLAS/LAPACK and MPI to offer high performance and parallelisation capabilities. It comes with built-in monitoring tools to understand and remove the inefficiencies in the user's high performance computing code. Features include: parallel vectors, parallel matrices, several sparse storage formats easy, scalable parallel preconditioners, Krylov subspace methods, parallel Newton-based nonlinear solvers, parallel timestepping (ODE) solvers, support for Nvidia GPU cards, complete documentation, automatic profiling of floating point and memory usage, consistent user interface, intensive error checking, portable to UNIX and Windows, over one hundred examples. See the website: http://www.mcs.anl.gov/petsc/petsc-as/index.html.

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Projects

Advanced modelling for two-phase reacting flow

Edward Richardson (Investigator)

Engine designers want computer programs to help them invent ways to use less fuel and produce less pollution. This research aims to provide an accurate and practical model for the injection and combustion of liquid fuel blends.

Centre for Doctoral Training in Next Generation Computational Modelling

Hans Fangohr, Ian Hawke, Peter Horak (Investigators), Susanne Ufermann Fangohr, Thorsten Wittemeier, Kieran Selvon, Alvaro Perez-Diaz, David Lusher, Ashley Setter, Emanuele Zappia, Hossam Ragheb, Ryan Pepper, Stephen Gow, Jan Kamenik, Paul Chambers, Robert Entwistle, Rory Brown, Joshua Greenhalgh, James Harrison, Jonathon Waters, Ioannis Begleris, Craig Rafter

The £10million Centre for Doctoral Training was launched in November 2013 and is jointly funded by EPSRC, the University of Southampton, and its partners.

The NGCM brings together world-class simulation modelling research activities from across the University of Southampton and hosts a 4-year doctoral training programme that is the first of its kind in the UK.

Designer 3D Magnetic Mesostructures

Hans Fangohr (Investigator), Matteo Franchin, Andreas Knittel

A new electrodeposition self-assembly method allows for the growth of well defined mesostructures. This project's aim is to use this method in order to fabricate supraconducting and ferromagnetic mesostructures. Numerical methods based on well-established models are used in order to characterise the grown structures.

Massively-Parallel Computational Fluid Dynamics

Simon Cox, Stephen Turnock, Alexander Phillips (Investigators), James Hawkes

Computational Fluid Dynamics (CFD) is a numerical method for modelling fluid flows and heat transfer - and is used in many industries. It can be used to model dynamics around aircraft, ships and land vehicles; and also has uses in engine design, architecture, weather forecasting, medicine, computer-generated imagery (CGI) and much more. To harness the full power of CFD, it is necessary to utilise the full power of modern supercomputers. This project aims to improve the scalabilty of existing CFD codes so that more complex problems can be tackled efficiently.

Modelling micromagnetism at elevated temperature

Hans Fangohr, Kees de Groot, Peter de_Groot (Investigators), Dmitri Chernyshenko

We aim to develop a multiscale multiphysics model of
micromagnetism at elevated temperatures with atomistic simulations for
material parameter. The tool will be used to guide the development of the next generation magnetic data storage technology: heat assisted magnetic recording.