The supported queuing systems in Materials Studio 5.5 are PBS Pro, Platform LSF, and Oracle Grid Engine. We recognise that there are several customers running the Torque queuing system. To help these customers work with Materials Studio, we have attached several Torque configuration files, and installation instructions, to this discussion topic. These are provided “as is” without support or maintenance, but we hope that this will provide the opportunity for customers using Torque to collaborate on improving the scripts and experience with Materials Studio.

Installation Instructions for using the Torque queuing system

Download the attached zip file

Unzip the contents into the [MSROOT]/etc/Gateway/root_default/dsd/commands/queues directory.

A new sub-directory will be created:

[MSROOT]/etc/Gateway/root_default/dsd/commands/queues/TORQUE

that contains the following files:

dsd_torque.pm

torque.cfg

Note

• You must be logged in under the account where Materials Studio is installed and the path to the queuing commands should be in your PATH environment variable
  
• pbsnodes must be in your PATH for this script to execute correctly
  

For more information about configuring queues, please see the online help topic “Installing Materials Studio on a server with a queuing system” or the Info folder on the install CD.

DISCLAIMER: This script is compatible with Materials Studio 5.5.   It is provided "as is" and is NOT supported by Accelrys nor is it warranted for any purpose whatsoever. The user assumes responsibility for any malfunctions or bugs.