CHPC Documentation

Next Scheduled: Fall 2008
Last Presented: April 24, 2008
by Anita Orendt

This presentation will focus on the use of Gaussian03 and Gaussview on the CHPC arches clusters. Batch scripts and input file formats will be discussed. Parallel scaling and timings with the different scratch options (TMP, MM, SERIAL, PARALLEL) will also be presented, along with a discussion of scratch needs of Gaussian03. Finally several demonstrations on the use of GaussView to build molecules, input structures, set up input files and to analyze output files will be presented.

Next Scheduled: Fall 2008
Last Presented: October 4th, 2007
by Martin Cuma

This course discusses introductory and selected intermediate topics in MPI programming. We base this presentation on two simple examples and explain the MPI parallel development of them. The first example encompasses MPI initialization and simple point to point communication (which takes place between two processes). The second example includes introduction to collective communication calls (where all active processes are involved) and options for effective data communication strategies, such as derived data types and packing the data. Some ideas on more advanced MPI programming options are discussed in the end of the talk.

Next Scheduled: Fall 2008
Last presented: October 18th, 2007
by Martin Cuma

This talk introduces Totalview, a debugger that has become a standard in the Unix code development comunity. After short introduction to its major features, we will present three examples, serial, parallel OpenMP and parallel MPI codes. Using these examples, we will show common and specific features for debugging these codes, as well as point out differences in using Totalview on different CHPC platforms.

Next Scheduled: Fall 2008
Last Presented: October 25th, 2007
by Martin Cuma

In this talk we introduce the users to the mathematical libraries that are installed on the CHPC systems, which are designed to ease the programming and speed-up scientific applications. First, we will talk about BLAS, which is a standardized library of Basic Linear Algebra Subroutines, and present few examples. Then we briefly focus on other libraries that are in use, including freeware LAPACK, ScaLAPACK, PETSc and FFTW, and commercial NAG and custom libraries from Compaq.

Next Scheduled: Fall 2008
Last Presented: November 1s5, 2007
by Martin Cuma

TAU (Tuning and Analysis Utilities) is a profiling and tracing toolkit for performance analysis of parallel programs. In this talk, we will introduce TAU as a new and flexible tool for tracing of parallel programs on CHPC Arches clusters. We detail small changes necessary to turn on the tracing and then explain how to visualize the trace files in Vampir trace viewer. We will conclude with some specific examples and glimpse on other features that TAU provides.

Next Scheduled: Fall 2008
Last presented: December 6th, 2007
by Martin Cuma

This talk introduces OpenMP, an increasingly popular and relatively simple shared memory parallel programming model. Two parallelizing schemes, parallel do loops and parallel sections, were detailed using examples. Various clauses that allow user to modify the parallel execution were also presented, including sharing and privatizing of the variables, scheduling, synchronization and mutual exclusion of the parallel tasks. Finally, few hints were given on removing loop dependencies in order to obtain effective parallelization.

Next: Fall 2008
Last Presented: September 6, 2007

by Byron Davis