Math Libraries

Libraries Listed in BC Policy FY06-01

ARPACK (Solution of Eigenvalues/Eigenvectors)
FFTW (Library for computing Discrete Fourier Transforms)
PETSc (Suite of scientific computing routines)
SuperLU (Direct solution of sparse linear systems of equations)
LAPACK (Software library of numerical linear algebra routines)
ScaLAPACK (Subset of parallelized LAPACK routines)
BLAS (Basic linear algebra routines)
   ATLAS
   GotoBLAS
GSL (C/C++ library with a wide variety of mathematical routines)

Access

All packages are installed within $PET_HOME.

Detailed Usage Instructions

All packages, except for PETSc, are accessed/used as follows:

1. In the makefile, insert:

-I$(PET_HOME)/MATH/<compiler>/include

where <compiler> identifies the compiler being used to compile the code. If the native compiler is to be used, then the <compiler> part can be omitted.

2. To link with default version, add compiler flags

-L$(PET_HOME)/MATH/<compiler>/lib

Otherwise, replace lib with lib32 or lib64 to specify 32-bit or 64-bit. Again, if the native compiler is to be used, then the <compiler> part can be omitted.

3. Include

-l<library name>

in your compiler flags as you would under other circumstances.

PETSc requires two environment variables to be set: PETSC_DIR and PETSC_ARCH. PETSC_ARCH should be set the same way it would be set for any other installation, namely the architecture being used. Details for different machines can be found by clicking on "installed" in the appropriate location in the PETTT Advanced Computational Environments (ACE) Software Repository at:

http://pettt-ace.com

PETSC_DIR should be set to $PET_HOME/MATH/ <dir>, where <dir> refers to the version of PETSc to be used. This can just be petsc if the default version is desired. If a specific version is needed, this will specify the version such as petsc-2.1.6 or petsc-2.3.0.

Additional details on how to use these tools can be found at the PETTT ACE Software Repository.

Native Libraries

The packages ScaLAPACK, LAPACK and/or ATLAS will not be installed whenever a system includes native libraries such as PESSL (Parallel ESSL) or MKL (Math Kernel Libraries) that fully provide the same functionality and interface. However, if a request is made to have ScaLAPACK, LAPACK and/or ATLAS available on a system, then these packages will also be installed.

Support

The PETTT ACE team maintains the suite of software listed in this policy, and it also provides the needed user support. Questions/problems/issues involving any of the open source math libraries supported by ACE can be addressed to the PETTT ACE team by sending email to pettt_requests@hpti.com.

For further information or requests please contact help@pettt-ace.com.

Last Updated: 03.09.11