Modelling & simulation
Posted: 3 Jul 2014 | 11:42
Do you use scientific codes in your research? Are the things you can do with it limited by the execution time? The code has been parallelised but does not scale well? How should you go about improving the performance? What can you do when you do not have full understanding of the code? There are some general steps that can be taken to improve the performance of parallelised codes. In this article I will describe briefly the process I have undertaken to optimise the parallel performance of a computational chemistry package, TINKER, as part of the EPCC/SSI APES project.
Posted: 24 Jun 2014 | 14:10
Posted: 28 May 2014 | 16:28
We have recently agreed a new collaboration with Intel.
Posted: 6 Feb 2014 | 09:50
Last week we held the first in a series of annual meetings for the CP2K user community at the University of London Garden Halls.
I blogged about it in the run-up to the meeting, but as with any first until you're there you don't know quite what to expect. I was very pleased to see over 50 attendees on the day, ranging from new PhD students to professors, and expert CP2K users to complete novices.
Posted: 16 Dec 2013 | 09:57
The BonFIRE project created a multi-cloud facility to foster experimentation and testing of cloud and distributed applications. Just last week BonFIRE had its final, successful review. The project was rated Excellent, a true reflection of the effort contributed by the partners and the results that we achieved.
When we started BonFIRE three and a half years ago, we had nothing tangible, only promising people and some ideas. By Month 2 we had the first set of requirements; by Month 4 the first Architecture, including a definition of the BonFIRE offering and the BonFIRE Principles; and by Month 12, the first facility for our partner-experimenters to use. By that time we were a team.
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: 15 Oct 2013 | 12:18
Posted: 30 Aug 2013 | 09:43
In a previous post, I presented my project on making a dinosaur racing competition. In that post, I gave some background information about virtual palaeontology, and the purpose of my project here in Edinburgh. If you haven’t read it yet, now might be a good time to do so!
So, now that the project (and the summer) is almost finished, let us see what has happened in these past two months – and what you will soon be able to enjoy!
Posted: 30 Aug 2013 | 09:04
Posted: 19 Aug 2013 | 10:40