Modelling & simulation

Getting hands-on with ExTASY

Author: Iain Bethune
Posted: 19 Nov 2015 | 11:11

One of the projects I'm currently leading at EPCC is ExTASY, which is building an 'Extensible Toolkit for Advanced Sampling and analYsis'.  I've blogged in the past about the goals of the project, and the painful process leading up to our first public release. As the project is now well into its final year, we are turning our attention to community outreach - showing off what we have built to the biomolecular simulation community and getting their feedback.

SoHPC meets FFEA at EPCC

Author: Neelofer Banglawala
Posted: 5 Oct 2015 | 12:24

Since 2013, EPCC has hosted PRACE Summer of HPC (SoHPC) students for eight weeks from early July. I was involved with SoHPC for the first time this year as mentor of two Masters students, Jana Boltersdorf from FH Aachen University of Applied Sciences (Germany) and Ondřej Vysocký from Brno University of Technology (Czech Republic).

Fortissimo Marketplace goes public

Author: Mark Sawyer
Posted: 22 Sep 2015 | 15:48

The Fortissimo Marketplace is now open for business.

Fortissmo lowers the barriers for industrial users to access HPC-based simulation by offering the benefits of the cloud computing model (such as pay-per-use), together with support for first time users. Making HPC simulation more accessible to SMEs will increase their competitiveness - one of the key goals of the I4MS programme that supports Fortissimo.

ParCo Symposium on Xeon Phi experiences

Author: Adrian Jackson
Posted: 20 Jul 2015 | 17:12

ParCo Symposium

Experiences of porting and optimising code for Xeon Phi processors

EPCC is jointly organising a symposium at the ParCo conference on experiences from those working on porting and optimising codes for this architecture about the challenges and successes they have experienced when working with the Xeon Phi, and how these also apply to standard parallel computing hardware.

Day 5 - Wrapping up the week

Author: Adrian Jackson
Posted: 21 Jun 2015 | 20:02

The final analysis and future plans

A week ago we finished our 5 days of intensive work optimising CP2K (and to a lesser extent GS2) for Xeon Phi processors. As discussed in previous blog posts (Day4, Day3, Day2, Day1), this was done in conjunction with research engineers from Colfax, and built on the previous year's work on these codes by EPCC staff through the Intel-funded IPCC project.

Agony and ExTASY

Author: Iain Bethune
Posted: 8 Jun 2015 | 16:41

ExTASY project logo

Over 18 months ago, we kicked off the ExTASY project. Our lofty aim was to tackle one of the 'Grand Challenges' of biochemistry - effective sampling of complex biomolecules using Molecular Dynamics to provide a physical understanding of their function and behaviour.

MPI 3.1 ratified

Author: Daniel Holmes
Posted: 8 Jun 2015 | 13:17

The MPI 3.1 standard, a minor update to the existing MPI 3.0 Standard, was ratified last week at the latest MPI Forum meeting

TPLS 2.0 goes live

Author: Iain Bethune
Posted: 25 May 2015 | 11:52

Last week I took part in a Mini-Symposium at the University's School of Engineering to mark the 2.0 release of TPLS, a high-resolution 3D Direct Numerical Simulation code for two-phase flows that we have developed in collaboration with Dr Prash Valluri and Dr. Lennon Ó Náraigh.

EPCC at the Supercomputing in Engineering Show

Author: George Graham
Posted: 3 Apr 2015 | 14:30

EPCC will be exhibiting at this year’s Supercomputing in Engineering Show at the Derby Roundhouse on the 15th and 16th April. The show is run in parallel with the Engineering Simulation Show and attendance is free, so this is an ideal opportunity for you to come and talk to us about how we can help transform your simulation and modeling activities using High Performance Computing.

CP2K-UK: One year on

Author: Iain Bethune
Posted: 5 Mar 2015 | 09:36

CP2K LogoEarlier this month we held the second annual CP2K User Group Meeting at King's College London, in the shadow of London's iconic 'Shard'.  The meeting was even more popular than last year's, with around 60 people coming along to learn about the latest new features available in CP2K, and to hear from a wide range of existing users what they are doing with the code.  

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