AWS HPC Blog
Author: Christian Kniep
Christian is a Senior Developer Advocate for HPC & Batch with AWS and gained his HPC experience in the automotive sector. After learning about containers he pivoted to work for startups and Docker Inc before joining AWS. He is passionate about bringing HPC to the masses by simplifying the experience and introducing new technologies like containers.
Introducing fair-share scheduling for AWS Batch
Today we are announcing fair-share scheduling (FSS) for AWS Batch, which provides fine-grain control of the scheduling behavior by using a scheduling policy. With FSS, customers can prevent “unfair” situations caused by strict first-in, first-out scheduling where high priority jobs can’t “jump the queue” without draining other jobs first. You can now balance resource consumption between groups of workloads and have confidence that the shared compute environment is not dominated by a single workload. In this post, we’ll explain how fair-share scheduling works in more detail. You’ll also find a link to a step-by-step workshop at the end of this post, so you can try it out yourself.
Running 20k simulations in 3 days to accelerate early stage drug discovery with AWS Batch
In this blog post, we’ll describe an ensemble run of 20K simulations to accelerate the drug discovery process, while also optimizing for run time and cost. We used two popular open-source packages — GROMACS, which does a molecular dynamics simulations, and pmx, a free-energy calculation package from the Computational Biomolecular Dynamics Group at Max Planck Institute in Germany.