Difference between revisions of "Webinar 2018 Using Computational Chemistry software effectively on Graham"
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Latest revision as of 16:12, 13 May 2019
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.
