Software

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.

The Mozilla Lab Global Science Sprint 2015

Author: Mario Antonioletti
Posted: 8 Jun 2015 | 10:03

I had not intended to go to the Mozilla Global Science Sprint 2015. However, EPCC acted as a hub for local developers who wanted to participate and Neil Chue Hong (Director of the Software Sustainability Institute, and based here at EPCC) asked me to set up the room and make the initial connection in case he was unavailable. I managed to set up the servers and then stayed.

So what is the Mozilla Global Science Sprint?

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.

Free pizza, prizes and research software best practice: Collaborations Workshop 2015... Registration open!

Author: Mike Jackson
Posted: 13 Feb 2015 | 12:45

Oxford e-Research CentreThe Software Sustainability Institute’s Collaborations Workshop 2015 (CW15) will be held from 25-27 March 2015 in Oxford, UK.

CW15 focuses on software, best practice and the social side of working past the boundaries of traditional disciplines and roles to accelerate research outcomes. Or, put differently, interdisciplinarity done right!

Greenhouse gases and GPUs

Author: Iain Bethune
Posted: 17 Dec 2014 | 16:32

We have just reached the end of a short project collaborating with Atmospheric Geochemists at the universities of Edinburgh and Bristol. After they purchased two machines each, both with dual Intel Xeon Ivy-bridge 12-core CPUs and NVIDIA Tesla K20x GPUs, EPCC was tasked to investigate the feasability of using the GPUs to improve the performance of their software.

Intel Parallel Computing Centre: progress report

Author: Adrian Jackson
Posted: 21 Nov 2014 | 10:29

EPCC's Grand Challenges Optimisation Centre, an Intel Parallel Computing Centre which we announced earlier in the year, has made significant progress over recent months. 

The collaboration was created to optimise codes for Intel processors, particularly to port and optimise scientific simulation codes for Intel Xeon Phi co-processors. As EPCC also runs the ARCHER supercomputer, which contains a large number of Intel Xeon processors (although no accelerators or co-processors), for EPSRC and other UK research funding councils, we also have a strong focus on ensuring that scientific simulation codes are highly optimised for these processors. Therefore, the IPCC work at EPCC has been concentrating on improving the performance of a range of codes that are heavily used for computational simulation in the UK on both Intel Xeon and Intel Xeon Phi processors.

SPRINT v. 1.0.7 released on CRAN (R package repository)

Author: Eilidh Troup
Posted: 30 Oct 2014 | 16:28

sprinter

It's always good to end a project on a high so I was delighted to end my recent assignment to the SPRINT project by overcoming a few tricky technical obstacles and having the latest version of SPRINT accepted into the CRAN repository of add-on packages to the very popular R statistical computing software. This will make it much easier for users to discover and install SPRINT and gain from the fast processing of larger data sets that it can provide.

Talking HPC with the Omega Tau podcast

Author: Iain Bethune
Posted: 11 Aug 2014 | 09:36

Omega Tau: science and engineering in your headphones is a STEM-themed podcast produced by Markus Völter and Nora Ludewig which covers a wide range of interesting topics including aerospace, spaceflight, computing and physical sciences in great detail through interviews and discussions with area experts.

SPRINT v1.0.6 released! OpenMPI and R V3 compatible

Author: Terry Sloan
Posted: 30 Jun 2014 | 13:30
 
EPCC and the Division of Pathway Medicine at the University of Edinburgh have released version 1.0.6 of the SPRINT R software package. This is compatible with R Version 3 and now supports OpenMPI as well as MPICH.

1st Annual CP2K UK users' meeting

Author: Iain Bethune
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.

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