Numerical & Mathematical Software Libraries

Intel Math Kernel Library

The Intel Math Kernel Library provides developers of scientific and engineering software with a set of linear algebra, fast Fourier transforms and vector math functions optimized for the latest x86_64 processors from both Intel and AMD. MKL contains LAPACK, the basic linear algebra subprograms (BLAS), and the extended BLAS (sparse). In addition, there is a set of fast Fourier transforms in single- and double-precision, real and complex data types with both Fortran and C interfaces. MKL also includes a set of vectorized transcendental functions in the Vector Math Library (VML), offering both high performance and excellent accuracy compared to the libm functions for most of the processors.

MKL_LDFLAGS=-L/share/apps/intel/Compiler/11.1/069/mkl/lib/em64t
  -lmkl_intel_lp64 -lmkl_sequential -lmkl_core 

MKL_CFLAGS=-I/share/apps/intel/Compiler/11.1/069/mkl/include

FFTW – version 3.1.2

FFTW, which stands for the somewhat whimsical title of “Fastest Fourier Transform in the West”, is a portable C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data (as well as of even/odd data, i.e. the discrete cosine/sine transforms or DCT/DST). FFTW’s performance is typically superior to that of other publicly available FFT software, and is even competitive with vendor-tuned codes. It is installed in /share/apps/fftw/gcc-64/.

LD_FLAGS=-L/share/apps/fftw/gcc-64/lib/ -lfft3
INC_FLAGS=-I/share/apps/fftw/gcc-64/include

GNU Scientific Libraries

The GNU Scientific Library (GSL) is a numerical library for C and C++ programmers. The library provides a wide range of mathematical routines such as random number generators, special functions and least-squares fitting. There are over 1000 functions in total with an extensive test suite. Versions of the library compiled with both gcc and Intel compilers are installed in /share/apps/gsl/1.14/.

IO Libraries

Installed IO Libraries are listed below, ordered according to usage.

NetCDF – version 3.6.3

NetCDF (Network Common Data Format) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. Both 32 and 64 bit versions are available are installed in /nethome/libs/netcdf/3.6.3/[compiler/version]/32 and /nethome/libs/netcdf/3.6.3/[compiler/version]/64, where [compiler/version] refers to the specific compiler with the version number which has been used to install the NetCDF libarary. For instance, to use 64-bit NetCDF libraries for Intel compiler,

LD_FLAGS=-L/share/apps/netcdf/3.6.3/intel/64/lib -lnetcdf
INC_FLAGS=-I/share/apps/netcdf/3.6.3/intel/64/include

Application Software for Data Analysis and Visualization

GNUPLOT – version 4.0

Gnuplot is a portable command-line driven interactive data and function plotting utility. Gnuplot supports many types of plots in either 2D and 3D. It can draw using lines,points, boxes, contours, vector fields, surfaces, and various associated text. It also supports various specialized plot types. Locally compiled with gcc compilers. Version 4.2.3 is installed in /usr/bin/gnuplot.