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.
| Week |
Class Topic |
Lecture notes |
Assignments |
| Class 1 |
Introduction to Computational Science |
 |
|
| Class 2 |
Becoming familiar with Linux |
|
Set 1 |
| Class 3 |
Insight into computer hardware and compilers |
|
|
| Class 4 |
Rudiments of Fortran90 |
|
|
| Class 5 |
An example scientific program: molecular dynamics |
|
Set 2 |
|
| Class 6 |
Running a program in a HPC environment |
|
|
| Class 7 |
Makefiles and Libraries |
|
|
| Class 8 |
Libraries and profiling |
|
|
|