Practical Introduction to Computational

Science

[Title listed in the course catalog is Directed Study.]*

Instructors: Richard A. Christie (haggisATpitt.edu) & Kim F. Wong (kimwongATpitt.edu)  [Instructor listed in course catalog is Stephan G. Weber.]*

Course Number: CHEM - 3902

Term: Spring 2009

Day, Time: Tuesdays 11:00-12:30, Jan. 6 through Feb. 24 (8 classes)

Location: 206 Eberly Hall (JCC Lab)

Credits: 1.0

Prerequisites: None

Grading: Letter grade or audit

Required Textbook: None

Course Description:
The course will introduce class participants to the basic methods of Computational Science, as used by students engaged in research in the natural sciences and engineering. The aim of the class is to make students, with little or no experience, comfortable working in a High Performance Computing (HPC) environment. Among the topics covered in class will be an introduction to working with the linux operating system, compiling scientific/engineering software packages, an introduction to scientific programming in Fortran, optimizing and debugging programs, and running calculations in a HPC environment. No previous experience in programming is required to participate in the class. The Center for Molecular and Materials Simulations (CMMS) facilities will be made available for use by class participants as an example of a HPC environment.

*Please feel free to approach Nicole Johansen (8-3094) with any questions.