High Performance Computing

Please note these libraries have not been extensively tested on the Nottingham system. If you have problems working with the existing installations, please let us know so we can quickly establish fully working versions for all users.

GNU Scientific Library (GSL)

C/C++ library providing a wide range of mathematical routines such as random number generators, special functions, and least-squares fitting.

Version 1.14 compiled by the Intel compiler is available in /software/gsl-1.14/intel

Links to documentation can be found via the GNU website

FFTW

C subroutine library for discrete Fourier transform calculations (www.fftw.org). Shareable libraries in /usr/lib64.

For MPI applications, the appropriate environment can be set by use of modules:

module load fftw2-mpi/intel

when using intel compilers, or

module load fftw2-mpi/gcc

for GNU compilers.

Library and include file locations can be revealed by looking at the detail of the appropriate module, e.g:

egzcb@lin01:~$ module show fftw2-mpi/intel
-------------------------------------------------------------------
/usr/share/Modules/modulefiles/fftw2-mpi/intel:

module-whatis  adds fftw to your PATH environment variable 

prepend-path   LD_LIBRARY_PATH /opt/streamline-packages/
fftw2-2.1.5-openmpi-icc-x86_64/lib/ 

prepend-path   INCLUDES /opt/streamline-packages/
fftw2-2.1.5-openmpi-icc-x86_64/include/ 
-------------------------------------------------------------------

Scalapack

This is a subset of LAPACK routines for distributed memory parallel computers, see www.netlib.org/scalapack/. Libraries available as part of MKL, which may be best ones to use, and also in /usr/local/lib64.