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computing distributed computing molecular dynamics

GROMACS on AWS: compiling GCC

These are some quick instructions on how to build a more recent version of GCC than is provided by the devel-tools package on the Cent OS based Amazon Linux AMI. (currently GCC 4.8.3) You may, for example, wish to use a more recent version to compile GROMACS – that is my interest. If so, then […]

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computing distributed computing GPUs molecular dynamics

GROMACS on AWS: Performance and Cost

So we have created an Amazon Machine Image (AMI) with GROMACS installed. In this post I will examine the sort of single core performance you can expect and much this is likely to cost compared to other compute options you might have. Benchmark To test the different types of instances you can deploy our GROMACS […]

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computing distributed computing molecular dynamics

GROMACS on AWS

In this post I’m going to show how I created an Amazon Machine Instance with GROMACS 5.0.7 installed for use in the Amazon Web Services cloud. I’m going to assume that you have signed up for Amazon Web Services (AWS), created an Identity and Access Management (IAM) user (each AWS account can have multiple IAM […]

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distributed computing

Windows Azure for research

I recently attended the first training event in UK by Microsoft on how to use Windows Azure for research. A perspective I wrote for the Software Sustainability Institute has been posted on their website.

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distributed computing

Crowd-sourced computer networks

Crowd-sourced computer networks Blog post on something I’ve been interested in for a while; how to create and use networks of everyday computers to solve interesting problems in biology. Links to the website of the Software Sustainability Institute.