Category: Best Practices

This three-part series of posts cover the price performance characteristics of running GROMACS on Amazon Elastic Compute Cloud (Amazon EC2) GPU instances. Part 1 covered some background no GROMACS and how it utilizes GPUs for acceleration. Part 2 covered the price performance of GROMACS on a particular GPU instance family running on a single instance. […]

This three-part series of posts cover the price performance characteristics of running GROMACS on Amazon Elastic Compute Cloud (Amazon EC2) GPU instances. Part 1 covered some background no GROMACS and how it utilizes GPUs for acceleration. This post (Part 2) covers the price performance of GROMACS on a particular GPU instance family running on a […]

Comparing the performance of real applications across different Amazon Elastic Compute Cloud (Amazon EC2) instance types is the best way we’ve found for finding optimal configurations for HPC applications here at AWS. Previously, we wrote about price-performance optimizations for GROMACS that showed how the GROMACS molecular dynamics simulation runs on single instances, and how it […]

AWS Batch is a service that enables scientists and engineers to run computational workloads at virtually any scale without requiring them to manage a complex architecture. In this blog post, we share a set of best practices and practical guidance devised from our experience working with customers in running and optimizing their computational workloads. The readers will learn how to optimize their costs with Amazon EC2 Spot on AWS Batch, how to troubleshoot their architecture should an issue arise and how to tune their architecture and containers layout to run at scale.

High Performance Computing (HPC) is known as a domain where applications are well-optimized to get the highest performance possible on a platform. Unsurprisingly, a common question when moving a workload to AWS is what performance difference there may be from an existing on-premises “bare metal” platform. This blog will show the performance differential between “bare metal” instances and instances that use the AWS Nitro hypervisor is negligible for the evaluated HPC workloads.

The Weather Research and Forecasting (WRF) model is a numerical weather prediction (NWP) system designed to serve both atmospheric research and operational forecasting needs. With the release of Arm-based AWS Graviton2 Amazon Elastic Compute Cloud (EC2) instances, a common question has been how these instances perform on large-scale NWP workloads. In this blog, we will present results from a standard WRF benchmark simulation and compare across three different instance types.

A customer asked us what is the difference between the CancelJob and TerminateJob API calls in AWS Batch. This post provides an overview of AWS Batch job states, and how these two API calls effect the job requests that you have submitted.

Molecular dynamics (MD) is a simulation method for analyzing the movement and tracing trajectories of atoms and molecules where the dynamics of a system evolve over time. MD simulations are used across various domains such as material sciences, biochemistry, biophysics and are typically used in two broad ways to study a system. The importance of […]

This post was written by Dnyanesh Digraskar, Sr. Partner Solutions Architect for HPC at AWS and co-authored by Wei Zhang and Ravi Gupta, Sr Software Engineers for Simcenter Nastran at Siemens. Introduction In this blog, we demonstrate the deployment, performance, and price comparisons of Simcenter Nastran for three finite element analysis (FEA) based use cases […]