Running cost-effective GROMACS simulations using Amazon EC2 Spot Instances with AWS ParallelCluster


In this blog post, we cover how to run GROMACS – a popular open source designed for simulations of proteins, lipids, and nucleic acids – cost effectively by leveraging EC2 Spot Instances within AWS ParallelCluster. We also show how to checkpoint GROMACS to recover gracefully from possible Spot Instance interruptions.

Read the Post on the AWS Blog Channel