AWS HPC Blog

Dataset of protein-ligand complexes now available in the Registry of Open Data on AWS

by Deva Priyakumar, Beryl Rabindran, Alex Iankoulski, Prathit Chatterjee, Rakesh Srivastava, Ramanathan Sethuraman, Vladimir Aladinskiy, and Yusong Wang on in High Performance Computing Permalink Share

This post was contributed by U. Deva Priyakumar, Rakesh Srivatsava, Prathit Chatterjee, Vladimir Aladinskiy, Ramanathan Sethuraman, Yusong Wang, Alex Iankoulski, and Beryl Rabindran Today, we’re excited to announce the release of a comprehensive dataset featuring molecular dynamics (MD) trajectories for over 16,000 protein-ligand complexes (PLCs). This dataset, now available on AWS as part of the […]

Announcing expanded support for Custom Slurm Settings in AWS Parallel Computing Service.png

Announcing expanded support for Custom Slurm Settings in AWS Parallel Computing Service

Today we’re excited to announce expanded support for custom Slurm settings in AWS Parallel Computing Service (PCS). With this launch, PCS now enables you to configure over 65 Slurm parameters. And for the first time, you can also apply custom settings to queue resources, giving you partition-specific control over scheduling behavior. This release responds directly […]

Announcing Capacity Blocks support for AWS Parallel Computing Service

Announcing Capacity Blocks support for AWS Parallel Computing Service

This post was contributed by by Kareem Abdol-Hamid, Kyle Bush Today we’re happy to announce that support for Amazon EC2 Capacity Blocks for Machine Learning are now supported in AWS Parallel Computing Service (AWS PCS). This allows you to reserve and schedule GPU-accelerated Amazon EC2 instances for future use. That includes the NVIDIA Hopper GPU […]

Introducing “default” instance categories for AWS Batch

Today, we are launching a new set of instance family categories for AWS Batch, “default_x86_64” and “default_arm64″. These new categories represent both a clarification and an improvement upon the existing “optimal” instance type category. This blog post gives some background on the new feature and how you can configure your Batch environments to take advantage […]

Enabling Rapid Genomic and Multiomic Data Analysis with Illumina DRAGEN™ v4.4 on Amazon EC2 F2 Instances

Streamline your genomic and multiomic data analysis with DRAGEN on Amazon EC2 F2 instances. Our latest blog post explores the performance benefits of this hardware-accelerated solution, helping you unlock insights faster.

Optimize your CAE/CFD workloads with Amazon FSx for Lustre Data Repository Association

HPC customers in automotive and manufacturing love Amazon FSx for Lustre because it combines a managed, easy-to-use service with the power of a high throughput parallel file system. Moreover, FSx for Lustre has a native integration with Amazon S3, our object storage service that is designed for durability and low cost. You can link your […]

Optimize HPC Workloads with the Updated AWS Well-Architected Lens

Today, we’re announcing an update to the AWS Well-Architected High Performance Computing (HPC) Lens, providing you with comprehensive architectural guidance in a single, authoritative resource. This newly updated lens consolidates years of AWS HPC implementation experience into structured best practices that help you build and optimize your HPC workloads on AWS.