Blog

CP2K user meeting: overcoming the 'complexity hump'

Author: Iain Bethune
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!

Hello, Denver!

Author: Nick Johnson
Posted: 17 Nov 2013 | 16:02

As the title says, "Hello Denver".

This is my first time in Denver and thanks to a grant from UKUSAHPC, I'm attending SC13. Over this next week, I'll  share some insights from SC about what's happening in the area and any especially interesting people I meet.

Data infrastructure: highlights of the EUDAT Conference 2013

Author: Rob Baxter
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.

EPCC explores Soft Condensed Matter

Author: Oliver Henrich
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.

Co-design for exascale

Author: Nick Brown
Posted: 28 Oct 2013 | 10:35

It is widely accepted that to meet the deadline of an exascale system by 2020, a variety of complex problems must be solved.

EPCC and the library visit

Author: Alistair Grant
Posted: 21 Oct 2013 | 10:16

The library in Dalkeith was the setting for EPCC 's event at the Midlothian Science Festival, where we hoped to introduce and explain what supercomputers are and why they are needed.

Project ExTASY: solving the sampling problem

Author: Iain Bethune
Posted: 15 Oct 2013 | 12:18

Alongside APES, EPCC plays an important role in another project jointly funded by EPSRC and the US National Science Foundation to overcome one of the "Grand Challenges in the Chemical Sciences".

Free Energy Landscape of Alanine-12

Fortissimo! Digital simulation and modelling for European industry

Author: Mark Parsons
Posted: 10 Oct 2013 | 10:27

I am very pleased to announce the start of Fortissimo, a 3-year project led by EPCC that will focus on the development of a Cloud of HPC resources for use, initially, by European manufacturing companies, particularly small and medium-sized enterprises (SMEs).

GPGPU hardware for Numerical Simulations

Author: Adrian Jackson
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.

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Contact

Tracy Peet
+44 (0) 131 650 5362
t.peet@epcc.ed.ac.uk