Overview

The goal of the introduction to atomistic simulation software series of short courses is to provide the attendee with information about the quantum and classical atomistic software available on HPRC systems.

Course Materials

Presentation Slides

The following presentation slides are available:

• Introduction to Terra: Atomistic Simulations (Quantum Software): PDF
• Introduction to Terra: Atomistic Simulations (Classical Software): PDF
• Introduction to Ada: Atomistic Simulations (Quantum Software): PDF
• Introduction to Ada: Atomistic Simulations (Classical Software): PDF

Agenda

This course focuses, among others, on the following topics:

Introduction to Atomistic Simulations

• Brief introduction to quantum or classical atomistic simulations
• Atomistic software available (free and licensed: HPRC/LMS)
• Job file preparation
• General overview of the resources (cpu, disk, memory, service units) required for a variety of atomistic simulations

Note: During the class sessions many aspects of the material will be illustrated live via a login to Terra or Ada. Attendees are welcome to follow these parts with their own laptops. They will need to configure their laptops to use the TAMULink wireless network. Relevant details on this can be found at: http://tamulink.tamu.edu/

You are encouraged to contact the HPRC helpdesk with any questions regarding Terra or Ada.