Running Jobs (JOB CONTROL IS DEPRECATED)

Jobs can be submitted to a designated host from a Maestro session or from the command line. The details of setting up the data in Maestro or submitting jobs from the command line for a given product are described in the documentation for the product. However, there are some common elements that relate to the job submission and execution, and the incorporation of results into a Maestro project, which are described in Starting Jobs from Maestro.

When you run a Schrödinger job on a particular host, Job Control determines where to find the hosts file, which version of the software to use, which environment variables need to be passed to the host, where the scratch directory is located, how to make the input files available to the job, how to retrieve the output files, and how to incorporate them into a Maestro project. An overview of this process is provided in the first topic of this chapter. The remaining topics provide details on how Job Control obtains information and sets up the runtime environment for the job.