AWS HPC Blog
Author: Santhan Pamulapati
I am a Solutions Architect working with strategic customers to support their innovation by providing architectural guidance and best practices on AWS. I am passionate about solving business challenges with help of technology in the fields of HPC and AI/ML.
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.