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Math Libraries and Interactive Tools
Users often ask which mathematics libraries and interactive mathematical tools are "available" on which LC systems. The answer depends on what you regard as availability and on how much customization you need (or are willing to perform). Some mathematics libraries, mostly from commercial vendors, are preinstalled as compiled (object) code. The libraries sometimes overlap. Some routines are optimized and some are not; some are threaded and some are not; some support MPI and some do not; some are portable and some are not; some are single or double precision. Only your own computational needs can determine which of these competing libraries are most appropriate for your work.
Mathematics or numerical libraries are designed to be incorporated into user applications. They contain highquality implementations of common tasks such as linear algebra solvers or fast Fourier transforms.
In addition to the relatively small set of preinstalled math libraries, there is a much larger set of downloadable sourcecode math software routines and packages (around 1400 in all) on both OCF (CZ and RZ) and SCF, at the LINMath Web site. This semiinteractive site offers four different collections (SLATEC, PMATH, MSSL, and mssl3) of nonproprietary software, organized by problem type. The software addresses a wide range of mathematical and statistical problem types, from simple (e.g., vector operations) to complex (e.g., differential equation solvers), and represents the result of efforts in the numerical math research community since the 1970s. LINMath also provides links to many other popular math software packages that are available elsewhere. The LINMath routines and packages also overlap somewhat with the commercial libraries (BLAS is an example), so in those cases you must decide which alternative best meets your specific needs.
Interactive mathematical tools are standalone applications that can be used for numerical analysis, data analysis, and display. These tools have both a GUI and a commandline interface.
The table below shows at a glance which major libraries and interactive mathematical tools reside on which LC machines. Each library or tool name is a link to more information about that library or tool.
Math Library 
Description 
Availability 
Versions 
Documentation 

ACML  AMD Core Math Library  Linux  4.4.0, 5.0.0, 5.3.1 (gfortran, ifort, pgi) 
/usr/local/tools/acml<compiler><version>/doc See the AMD ACML Web site 
ATLAS  Automatically Tuned Linear Algebra Software  Linux  3.8.4  See the ATLAS Web site 
BLAS  Basic Linear Algebra Subroutines  Linux BG/Q 
See ATLAS, MKL, or ACML (Linux); ESSL (BG/Q) See the BLAS Web site 

ESSL  IBM Engineering and Scientific Subroutine Library  BG/Q  5.1  /usr/local/tools/essl/<version>/README.esslbgq See the IBM's ESSL Guide and Reference 
FFTW  Fast Fourier Library  Linux BG/Q 
2.1.5, 3.3.2, 3.3.3.2 2.1.5, 3.3.1, 3.3.3 
See the FFTW Web site See ESSL or /usr/local/doc/BGQ/Libraries.html (BG/Q) 
GSL  GNU Scientific Library  Linux  1.13  See the GNU GSL Web site 
IPP  Intel Performance Primitives are optimized scientific routines for data processing, signal processing, and image and video processing  Linux  See the Intel IPP Web site  
LAPACK  Dense linear algebra  Linux BG/Q 
See ATLAS, MKL, or ACML Linux; ESSL (BG/Q) See the LAPACK Web site 

LIBM  Standard C math library  Linux  See the LIBM man page  
MASS  Math Acceleration SubSystem (IBM) includes high performance versions of many of the doubleprecision routines from LIBM  BG/Q  See the IBM Mathematical Acceleration Subsystem for Blue Gene Web site  
MKL  Intel Math Kernel Library  Linux  9.1.023, 10.1.1.019, 10.2.4.032, 10.3.1, 10.3.8, 10.3.11, 11.0.0, 11.0.3, 11.1.3 
See the doc or Documentation directory in /usr/local/tools/mkl<version>/ See the Intel MKL Web site 
MSSL/mssl3  Mathematics and Statistics Software Library is a collection of (mostly Fortran) routines in source code form  MSSL/mssl3 is available from the LINMath Web site as source code, which you can then move to any machine and compile.  
ODEPACK  ODEPACK is a collection of Fortran solvers for the initial value problem for ordinary differential equation systems.  See the ODEPACK Web site  
PETSc  Collection of routines for solving linear systems  Linux BG/Q 
3.0.0, 3.2, 3.4.3 3.4.0 
See the PETSc Web site 
PMATH  Machineindependent portable math subroutine library  PMATH is available from the LINMath Web site as source code, which you can then move to any machine and compile.  
ScaLAPACK  Library of highperformance linear algebra routines for distributedmemory messagepassing MIMD computers  Linux BG/Q 
See MKL (Linux); /usr/local/tools/scalapack/README (BG/Q) See the Scalable Linear Algebra PACKage Web site 

SLATEC  Comprehensive software library with over 1400 general purpose mathematical and statistical routines written in Fortran 77  SLATEC is available from the LINMath Web site as source code, which you can then move to any machine and compile.  
Interactive Math Tool 
Description 
Availability 
Versions 
Documentation 
Mathematica  Symbolic mathematics tool  Linux  7.0.2 8.0.4 
Within Mathematica; see also the Mathematica vendor Web site 
MATLAB  A highlevel language and interactive environment for numerical computation, visualization, and programming  Linux  7.11 7.14 
Within MATLAB; see also the MATLAB vendor Web site 
Octave  Highlevel language primarily intended for numerical computations  Linux  3.6.2  Within Octave; see also the GNU Octave Web site 