Running Schrödinger Jobs

The Schrödinger Job Server infrastructure is the orchestration system for most Schrödinger scientific computations. It enables users of the Schrödinger Suite to submit scientific workflows (“jobs”) to local and remote compute resources.

 

Starting with Release 2025-3, Schrödinger's Job Server switched to a centralized host configuration. Customers who currently use Job Server for job submission and will be updating client submission machines to Schrödinger Release 2025-3 will need to update the Job Server configuration file used for Schrodinger jobs. This change was implemented to streamline the process of launching remote jobs. Learn more about Centralization of Job Server's Host Entry Configuration.

 

As of 2025-4 Schrödinger software is using Job Server by default for submitting and managing computational jobs. This new infrastructure replaced the legacy Job Control system to provide a more robust, secure, and scalable solution for modern computing environments. Customers who currently use Job Control will need to deploy and configure Job Server.

Single-node Linux machines can transition quickly and easily with the Job Server Quick Install Script. For cluster configuration, see Job Server Installation. For more information, see Transitioning from Job Control to Job Server.

 

 

 

Where are you running the job?

On a Local Machine ⓘ A local job submission refers to jobs submitted both from and to one computer, which can be a physical machine or a virtual machine.
On a Cluster ⓘOn a Cluster refers to jobs run on remote hosts, distributed jobs, and jobs submitted to batch queues