AWS HPC Blog

Category: AWS ParallelCluster

Predict the unpredictable: Disrupting drug lead optimization using quantum mechanics simulation in the cloud

Quantum mechanics meets drug discovery: QSimulate’s latest advancements in QM-based FEP simulation are poised to transform the industry. Our blog post takes you on a journey through the groundbreaking science and innovative software that are redefining the future of drug design.

Cross-account HPC cluster monitoring using Amazon EventBridge

Cross-account HPC cluster monitoring using Amazon EventBridge

Managing extensive HPC workflows? This post details how to monitor resource consumption without compromising security. Check it out for a customizable reference architecture that sends only relevant data to your monitoring account.

Recent improvement to Open MPI AllReduce and the impact to application performance

Recent improvement to Open MPI AllReduce and the impact to application performance

Our team engineered some Open MPI optimizations for EFA to enhance performance of HPC codes running in the cloud. By improving MPI_AllReduce they improved scaling – matching commercial MPIs. Tests show gains for apps including Code Saturne and OpenFOAM on both Arm64 and x86 instances. Check out how these tweaks can speed up your HPC workloads in the cloud.

Securing HPC on AWS – isolated clusters

Securing HPC on AWS – isolated clusters

In this post, we’ll share two ways customers can operate HPC workloads using AWS ParallelCluster while completely isolated from the Internet. ParallelCluster supports many different network configurations to support a range of uses. When referring to isolation we mean situations where your HPC cluster is completely self-contained inside AWS, or where you have a private […]