View source for Webinar 2018 Using Computational Chemistry software effectively on Graham

In this webinar we will talk about how to use the computational chemistry software packages effectively on Graham. We will talk about
*Computational chemistry packages available on Graham
*The nature and applications of the packages
*How to to use them on the cluster

We will address several key factors (memory size, cpus, disk file system) which may have big impact on a job, and specific advice for effective use of Gaussian, ADF, etc.