AWS provides such HPC environment through AWS ParallelCluster and in the previous workshops, we’ve shown examples of running GROMACS simulations using AWS ParallelCluster. By using Amazon EC2 Spot Instances for simulations, you can cost-effectively run GROMACS simulations and save up to 90% off the on-demand price. The sample setup involves following steps:Create and deploy AWS ParallelCluster with Spot instancesAWS ParallelCluster orchestrates and manages HPC clusters in the AWS Cloud. To create and deploy AWS ParallelCluster with Spot instances, refer to AWS ParallelCluster Documentation. Reminder: You can learn a lot from AWS HPC engineers by subscribing to the HPC Tech Short YouTube channel, and following the AWS HPC Blog channel.

Source: Forbes June 14, 2022 02:56 UTC