RE: Batch Job Script in Steele Kimberley Dillman https://conferences.xsede.org/c/message_boards/find_message?p_l_id=&messageId=216445 2012-01-18T21:17:20Z 2012-01-18T21:17:20Z

Normally I would suggest you submit a ticket to the XSEDE help desk on this issue as we have people at Purdue that can provide examples on how to run Gaussian, however, unless you are installing your own copy of Gaussian and have your own license that allows you to run on Steele, non Purdue users are not allowed to use the Purdue Gaussian software and license due to the license restrictions.<br /><br />XSEDE users can use other non-licensed, free, or open source software pre-installed on Steele or the Condor Pool but most, if not all, of the 3rd party licensed software we have installed is for use by local Purdue users only.<br /><br />Steele is a &#034;community&#034; cluster where XSEDE users share the resource with local Purdue users. Not all software and resources installed on Steele are available to XSEDE users.<br /><br />If I remember correctly, there are a few XSEDE sites that do have a Gaussian license that is available for use by XSEDE users. You would want to verify this but I believe it is available on Blacklight and maybe Trestles.<br /><br />Hope this helps (I can&#039;t do anything about the license situation except to offer possible alternatives)....<br /><br />Best regards,<br /><br />Kim Dillman

Kimberley Dillman 2012-01-18T21:17:20Z