Computational Chemistry -Advice for Gaussian submission scripts Charity Lovitt https://tis.xsede.org/c/message_boards/find_message?p_l_id=&messageId=656222 2014-01-31T20:46:55Z 2014-01-31T20:46:55Z

I am a frequent user of XSEDE and gaussian (Trestles). <br /><br />When I started with XSEDE, I borrowed a script from a colleague of mine from Germany. However, the script is too complex for me to understand and modify, especially when machines are updated. <br /><br />I know that there are many other gaussian users in XSEDE so I ask this question. How do you submit jobs to the queue? Would you be willing to share scripts with other users? <br /><br />Currently, I&#039;m trying to run jobs on Trestles but I will need to run Gamess on other systems. <br /><br />I look forward to the conversation!<br /><br />Charity

Charity Lovitt 2014-01-31T20:46:55Z