Office of Science
FAQ
Capabilities

Training

The MSC staff provides users with training to make the most of their use of Chinook and other MSC resources.

Using EMSL's supercomputer

Chinook Best Practices Coming Aug 1, 2010.

Programming tutorials

When Good Code Goes Bad Tutorial on the use of three debugging techniques: hand-coded, command line, GUI-based.

NWChem tutorials

NWChem User's Manual Release 5.1 documentation

ECCE tutorials

Ecce Online Help Web-based user documentation used by the software

Setting Up and Running a Calculation with Ecce Summary and example using Ecce tools to run a simple calculation with NWChem

Building a Simple Molecule in Ecce Example of using the Ecce Builder to construct a simple molecule for use in a calculation


Other Related Tutorials

Note: The links below leave this site Going to an offsite website, image

MPI Tutorials

Message Passing Interface Forum The MPI forum has links to the MPI standards.

Message Passing Interface (MPI) The Lawrence Livermore National Laboratory's introduction to MPI provides an introduction to MPI and describes how to use the basic MPI operations in Fortran and C.

Fortran Tutorials

Fortran Tutorial Stanford University provides this tutorial on the Fortran programming language, which includes a section on the use of BLAS and LAPACK.

C/C++ Tutorials

Programming in C UNIX System Calls and Subroutines using C This tutorial from the University of Cardiff is a detailed description of the C programming language and a detailed description of Unix system commands (most of which have Linux counterparts). Beginning through advanced programmers will benefit from this tutorial.

Math Library Tutorials

LAPACK Users' Guide Third Edition The Netlib Lapack User's Guide is the definitive work on the use of Lapack.

Intel Math Kernel Library Reference Manual Intel's reference manual.

AMD Core Math Library (ACML) This links to AMD's "Developer Central," which contains links for the ACML User Guide and other pages related to ACML.