From Documentation
Jump to: navigation, search

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.