AWS HPC Blog

Tag: EC2 Spot

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.

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Using Spot Instances with AWS ParallelCluster and Amazon FSx for Lustre

Processing large amounts of complex data often requires leveraging a mix of different Amazon EC2 instance types. These types of computations also benefit from shared, high performance, scalable storage like Amazon FSx for Lustre. A way to save costs on your analysis is to use Amazon EC2 Spot Instances, which can help to reduce EC2 costs up to 90% compared to On-Demand Instance pricing. This post will guide you in the creation of a fault-tolerant cluster using AWS ParallelCluster. We will explain how to configure ParallelCluster to automatically unmount the Amazon FSx for Lustre filesystem and resubmit the interrupted jobs back into the queue in the case of Spot interruption events.

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Cost-optimization on Spot Instances using checkpoint for Ansys LS-DYNA

A major portion of the costs incurred for running Finite Element Analyses (FEA) workloads on AWS comes from the usage of Amazon EC2 instances. Amazon EC2 Spot Instances offer a cost-effective architectural choice, allowing you to take advantage of unused EC2 capacity for up to a 90% discount compared to On-Demand Instance prices. In this post, we describe how you 0can run fault-tolerant FEA workloads on Spot Instances using Ansys LS-DYNA’s checkpointing and auto-restart utility.

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