AWS HPC Blog

Category: Compute

Optimize your Monte Carlo simulations using AWS Batch

Introduction Monte Carlo methods are a class of methods based on the idea of sampling to study mathematical problems for which analytical solutions may be unavailable. The basic idea is to create samples through repeated simulations that can be used to derive approximations about a quantity we’re interested in, and its probability distribution. In this […]

GROMACS performance on HAQM EC2 with Intel Ice Lake processors

We recently launched two new HAQM EC2 instance families based on Intel’s Ice Lake – the C6i and M6i. These instances provide higher core counts and take advantage of generational performance improvements on Intel’s Xeon scalable processor family architectures. In this post we show how GROMACS performs on these new instance families. We use similar methodologies as for previous posts where we characterized price-performance for CPU-only and GPU instances (Part 1, Part 2, Part 3), providing instance recommendations for different workload sizes.

Introducing AWS ParallelCluster multiuser support via Active Directory

Today we’re announcing the release of AWS ParallelCluster 3.1 which now supports multiuser authentication based on Active Directory (AD). Starting with v3.1.1 clusters can be configured to use an AD domain managed via one of the AWS Directory Service options like Simple AD or AWS Managed Microsoft AD (MSAD). This blog post describes the new feature, and gives an example of a configuration block for ParallelCluster 3 configuration files.

How to Arm a world-leading forecast model with AWS Graviton and Lambda

The Met Office is the UK’s National Meteorological Service, providing 24×7 world-renowned scientific excellence in weather, climate and environmental forecasts and severe weather warnings for the protection of life and property. They provide forecasts and guidance for the public, to our government and defence colleagues as well as the private sector. As an example, if you’ve been on a plane over Europe, Middle East, or Africa; that plane took off because the Met Office (as one of two World Aviation Forecast Centres) provided a forecast. This article explains one of the ways they use AWS to collect these observations, which has freed them to focus more on top quality delivery for their customers.

Using Spot Instances with AWS ParallelCluster and HAQM FSx for Lustre

Processing large amounts of complex data often requires leveraging a mix of different HAQM EC2 instance types. These types of computations also benefit from shared, high performance, scalable storage like HAQM FSx for Lustre. A way to save costs on your analysis is to use HAQM 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 HAQM FSx for Lustre filesystem and resubmit the interrupted jobs back into the queue in the case of Spot interruption events.

Accelerating drug discovery with HAQM EC2 Spot Instances

We have been working with a team of researchers at the Max Planck Institute, helping them adopt the AWS cloud for drug research applications in the pharmaceutical industry. In this post, we’ll focus on how the team at Max Planck obtained thousands of EC2 Spot Instances spread across multiple AWS Regions for running their compute intensive simulations in a cost-effective manner, and how their solution will be enhanced further using the new Spot Placement Score API.

Coming soon: dedicated HPC instances and hybrid functionality

This year, we’ve launched a lot of new capabilities for HPC customers, making AWS the best place for the length and breadth of their workflows. EFA went mainstream and is now available in sixteen instance families for fast fabric capabilities for scaling MPI and NCCL codes. We’ve written deep-dive studies to explore and explain the optimizations that will drive your workloads faster in the cloud than elsewhere. We released a major new version of AWS ParallelCluster with its own API for controlling the cluster lifecycle. AWS Batch became deeply integrated into AWS Step Functions and now supports fair-share scheduling, with multiple levers to control the experience. Today we’re signaling the arrival of a new HPC-dedicated instance family – the Hpc6a – and an enhanced EnginFrame that will bring the best of the cloud and on-premises together in a single interface.

How to manage HPC jobs using a serverless API

HPC systems are traditionally access through a Command Line Interface (CLI) where the users submit and manage their computational jobs. Depending on their experience and sophistication, the CLI can be a daunting experience for users not accustomed in using it. Fortunately, the cloud offers many other options for users to submit and manage their computational jobs. In this blog post we will cover how to create a serverless API to interact with an HPC system in the the cloud built with AWS ParallelCluster.