Schrödinger Best Practices vs AWS PCS Limits
Modern HPC integration practices for Schrödinger workloads tend to want 10–12 Slurm partitions and matching host entries, because Maestro doesn’t let chemists pass Slurm arguments directly. That design preference collided with AWS Parallel Computing Service on a recent deployment: PCS has a hard, non-adjustable cap of 10 partitions and 10 compute node groups per cluster. […]
AWS PCS resolves Licenses length issue
Good news: The 1024-character limit in the AWS PCS custom slurm configuration parameter that enables license-aware job scheduling was recognized by AWS as a “bug” and recently resolved. The new character limit is 2048. TL;DR AWS Parallel Computing Service (PCS) previously capped every slurmCustomSettings.parameterValue at 1,024 characters. The limit applied uniformly through Terraform, the AWS […]
Schrödinger 2026-1 and broken jsc certs
Note: This post is pure google bait designed to help others who run into the same problem. We hope it helps! 16-April-2026: Correction – Schrödinger has documented this issue and a workaround at https://my.schrodinger.com/support/article/629509 You upgraded jobserverd, your functionality tests ran clean on the Slurm side, and a few hours later your scientists started complaining. […]
License-Aware Cloud HPC: Accelerating Discovery with Schrödinger, Cresset, and Posit
Summary Computational chemistry software licenses are among the most expensive line items in a drug discovery budget. When those licenses run on cloud HPC, poor integration creates problems: idle licenses burn money, contention between researchers stalls work, and GPU-heavy notebook sessions run around the clock even when no one is using them. It’s not just […]
PCS or ParallelCluster for Schrödinger Suite?
Everything you never wanted to know about PCS and PCluster for Schrödinger Workloads but have been forced to find out Why? It’s rare for me to simultaneously work on ParallelCluster and PCS for the same workload, and I learned some things, enough to justify writing some words about it. Hope someone finds it useful! Drivers […]
Schrödinger at Scale: Enterprise HPC Infrastructure, Deployed in Minutes
Summary BioTeam partnered with a healthcare-focused investment firm whose mission is to advance healthcare innovation by funding innovative, new biotech organizations. These organizations required an automated, secure, scalable, and repeatable cloud-based HPC environment on AWS for their drug discovery pipelines. The client needed a compliant technology foundation that could be deployed at scale across multiple […]