HPC

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!

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.

A Day at Our Dynamic Earth

Author: Alistair Grant
Posted: 5 Oct 2013 | 12:01

Image of Audience Group at ODE

In September, Our Dynamic Earth held a two-day event called 'Meet the Experts' for groups of secondary school pupils. EPCC was invited to attend, with Iain Bethune and myself volunteering to give short talks on what supercomputing is and why it is needed. 

Virtual Palaeontology: the debut!

Author: Nick Brown
Posted: 16 Sep 2013 | 12:56

This summer we were fortunate to have a student, Antoine, work on our dinosaur-racing outreach project as part of the Summer of HPC programme. Antoine did a great job in turning the demo from a simple prototype into a much more polished, usable showcase for how HPC plays a vital role in a variety of sciences. If you are a regular reader of the EPCC blog then you might have already read some posts about this application - see my initial blog post, and Antoine's progress updates here and here.

EPCC at British Science Festival 2013

Author: Iain Bethune
Posted: 2 Aug 2013 | 12:19

BSF 2013 Newcastle 7-12 Sept 2013

The programme for the British Science Festival 2013 in Newcastle has now been released and EPCC is running two events this year.The first is an exhibition booth in the Discovery Science Centre on Saturday 7th September, where we will be showing off a range of HPC demos including the Virtual Paleontology 'Dinosaur Racing' game currently being developed by one of our PRACE Summer of HPC students, as well as some other new ideas developed during Innovative Learning Week on our MSc, and of course a range of  HPC hardware old and new.

Dinosaur racing at EPCC

Author: Nick Brown
Posted: 31 Jul 2013 | 14:49

The Animal Simulation project, run at the University of Manchester, aims to create realistic simulations of animals both present and extinct. By combining the expertise of a number of scientific fields along with high performance computing (HPC), they have created GaitSym, a code capable of realistically simulating movements of animals based on a 3D model of their skeleton and biological data.

DiRAC driving test ready to roll

Author: Mike Jackson
Posted: 25 Jul 2013 | 10:44

Since June 2012, The Software Sustainability Institute and Software Carpentry have been working with the DiRAC consortium to develop a "driving test" or basic software skills aptitude test. The test is now ready to be rolled out across DiRAC, the UK's integrated supercomputing facility for theoretical modelling and HPC-based research in particle physics, astronomy and cosmology.

MPI: sending and receiving in multi-threaded MPI implementations

Author: Daniel Holmes
Posted: 5 Jul 2013 | 16:06

Have you ever wanted to send a message using MPI to a specific thread in a multi-threaded MPI process? With the current MPI Standard, there is no way to identify one thread from another. The whole MPI process has a single rank in each communicator.

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