Posted: 18 Nov 2013 | 10:20
For the last five years, I've been involved in the development of the CP2K materials science code, mostly in terms of improving its performance and scalability and porting to new systems. During that time a great deal of new functionality has been added, as well as additional input file options, libraries and autotuning capability to enable maximum performance on any given architecture. However, these improvements have come at the cost of increased complexity - and CP2K already has a fearsome reputation among researchers for being very hard to use!
Posted: 17 Nov 2013 | 16:02
Posted: 13 Nov 2013 | 14:27
EUDAT - the European Data Infrastructure project - has reached the end of its second year and has, with some success, distilled the first version of a common, collaborative, horizontal data infrastructure from among the vertical stacks of its various partners.
Posted: 11 Nov 2013 | 10:55
Today computer simulation is firmly established as the third pillar of science beside theory and experiment. As part of its research activities on modelling and large-scale simulation of soft condensed matter, EPCC maintains a long-standing collaboration with the Institute for Condensed Matter and Complex Systems (ICMCS) at the University of Edinburgh and the Centre for Computational Science at University College London.
Posted: 10 Oct 2013 | 10:27
Posted: 9 Oct 2013 | 11:47
The NAIS project (Numerical Algorithms and Intellegent Software), which EPCC is a member of, has recently purchased 8 NVidia K20 GPGPUs, and associated computer nodes to house them, for use by NAIS members and researchers.