Course Materials
C Programming Basics for HPC [High Performance Computing] 11/2
Attendees will be introduced to basic C programming for High Performance Computing environments such as the Ranger production system.
C++ Programming Basics 11/2
In this combined lecture and lab session, we will discuss basics of C++ usage including I/O, vectors, objects, and their relation to the same concepts in C.
Introduction to Parallel Programming on Ranger and Lonestar [High Performance Computing] 9/17
TACC instructors will present various topics covering the architecture and proper use of TACC computational resources, specifically the Sun Constellation Linux Cluster (ranger) and the Dell Dual-Core Linux Cluster (lonestar). This class will be of particular interest to computational scientists interested in developing codes for and porting codes to these systems.
Day One Slides
- Training Schedule
- Overview of the Texas Advanced Computing Center
- Introduction to Parallel Computing
- Linux User Environment
- Introduction to Programming with OpenMP
- Parallel Programming with MPI
Day Two Slides
- Training Schedule
- HPC Hardware Overview
- Hybrid Computing
- Optimization and Performance Engineering for Scientific Applications
- Profiling and Debugging Tools
Labs
- Programming Environment, File Systems, Modules, Batch Systems
- OpenMP
- Fortran Card
- Summary of OpenMP 3.0 C/C++ Syntax
- MPI Basic Lab
- Hybrid Computing
- Parallel Optimization
- Debugging and Profiling Lab Materials
- DDT Lab
Parallel Optimization and Scientific Visualization for Ranger and Spur (July 16-17)
TACC instructors will present various topics related to improving code performance on Ranger via the use of code instrumentation and profiling of MPI applications. Users will also receive instruction on the use of remote visualization software to visualize data sets generated on this resource.
Day 1 Slides
Day 1 Labs
Day 2 slides
Large Scale Molecular Dynamics Simulations of Biomolecules using Desmond [Computational Biology]
This one–day workshop is intended to teach researchers how to use the Desmond package for conducting molecular dynamics simulations of biological molecules. Attendees will learn the basic concepts underlying Desmond, how to run simulations and analyze results. Topics to be covered include preparing structure files, setting system constraints, specifying force fields and post simulation analysis. A hands-on lab session will provide an opportunity to work with Desmond on TACC systems.
The class is geared towards life science researchers but will also be of interest to anyone wanting to investigate the molecular motion of molecules using computer simulation techniques. A broad familiarity with the concepts of molecular dynamics simulations and a working knowledge of Unix is recommended.
Class Slides
Linux and Unix Fundamentals [High Performance Computing] 10/26
This half-day lecture is the first in a series of short lectures presented by TACC for foundational skills. Attendees will be introduced to the basic Unix and Linux environment as it applies to our production systems. The lecture will emphasize data management, basic shell scripting, and best practice approaches to commonly executed tasks.
Class Slides
- UNIX & LINUX Command Reference Guide
- Student Guide for UNIX & LINUX Fundamentals for HPC
- UNIX & LINUX Fundamentals for HPC
Profiling and Debugging Serial and Parallel Programs [High Performance Computing] 11/9
The course covers profiling and debugging technologies available at TACC for performance optimization and debugging of serial and parallel codes. The course contains instructions for beginners and advanced users, along with a lab with demos and examples.
Class Slides
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