Setting Up Access to a Queueing System

Support for queueing systems is provided through a set of scripts and a template that contain the specific syntax required to submit jobs to a queue. These files are installed in a subdirectory of the $SCHRODINGER/queues directory that is named after the queue for each of the supported queueing systems. The name of this subdirectory is used as the name of the queueing system in the hosts file, as described above.

The Schrödinger software installation must be available to any host on which queue commands can be executed (the queue host).

To set up access to a supported queueing system, you must edit the config file in the $SCHRODINGER/queues/queue directory, and set the QPATH keyword to the path to the queueing software (the bin directory). If you need to set up the environment for the queuing system, you can set the QPROFILE keyword to the absolute path on the queue host of a configuration file. This file will be sourced to set up the environment to use the queue.

You should not need to edit any of the other files, as they are already tailored to the specific queueing system.