You can see mine is called PhilFowler-key-pair-euwest.pem Also Amazon don’t let you download a key pair again so you have to be careful with them. As you need a different key pair for each IAM user for each Amazon Region, it is worth naming them carefully as you will otherwise rapidly get very confused.

Here it is crucial that you choose the name of the keypair you created and downloaded.

I’m going to accept the rest of the defaults for the rest of the steps so will click “Review and Launch” now.Ĭheck it all looks ok and hit “Launch”. What I have found here is if you use the version of gcc installed via yum (4.8.3) then 8 GB is fine, but if you want to compile a more recent version you will need at least 12 GB. I’m not going to fiddle with these options. You can at this stage hit “Review and Launch” but it is worth checking the amount of storage allocated to the instance. Let’s choose an c4.2xlarge instance which has 8 vCPUs. So if we want to compile on multiple cores to speed things up we can choose an instance with say 8 vCPUs, or if we don’t want to be billed and are willing to wait that we can choose the t2.micro instance. The important thing to remember here is that the image we create can be run on any instance type. Let’s keep it simple and use the standard Amazon Linux AMI. Here we can choose one of the standard virtual machine images to compile GROMACS on. Now click the Blue “Launch Instance” button. In the AWS Management Console, choosing “EC2” in the top left should bring you here AWS EC2 dashboard Next we need to create an EC2 (ElastiCloud) instance based on one of the standard virtual machine images and download and compile GROMACS on it.

You should get something that looks like this. Where 123456789012 is your AWS account number. If you use more than this, or use a more powerful instance then you will be billed.įirst, log in to your AWS console. I felt a bit nervous about setting up an account backed by my credit card – if you also feel nervous, then Amazon offer a Free Tier which permits you at present to use up to 750 hours a month, as long as you only use the smallest virtual machine instance (t2.micro). In other words, depending on your mood, you can order a book or 10,000 CPU hours of compute. One thing that confused me is if you already have an or .uk account then you can use this to signup to AWS. Amazon have a good tutorial that cover the above actions. 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 users), created an SSH key pair for that user, downloaded it, given it an appropriate name with the correct permissions and placed it in. 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.

How to install gromacs on centos 7