Numerical libraries

Alphabetical list of available ULHPC software belonging to the 'numlib' category. To load a software of this category, use: module load numlib/<software>[/<version>]

Software Versions Swsets Architectures Clusters Description
Armadillo 10.5.3, 9.900.1 2020b, 2019b broadwell, epyc, skylake aion, iris Armadillo is an open-source C++ linear algebra library (matrix maths) aiming towards a good balance between speed and ease of use. Integer, floating point and complex numbers are supported, as well as a subset of trigonometric and statistics functions.
CGAL 4.14.1, 5.2 2019b, 2020b broadwell, skylake, epyc iris, aion The goal of the CGAL Open Source Project is to provide easy access to efficient and reliable geometric algorithms in the form of a C++ library.
FFTW 3.3.8 2019b, 2020b broadwell, skylake, gpu, epyc iris, aion FFTW is a 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.
GSL 2.6 2019b, 2020b broadwell, skylake, gpu, epyc iris, aion 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.
Hypre 2.20.0 2020b broadwell, epyc, skylake aion, iris Hypre is a library for solving large, sparse linear systems of equations on massively parallel computers. The problems of interest arise in the simulation codes being developed at LLNL and elsewhere to study physical phenomena in the defense, environmental, energy, and biological sciences.
NLopt 2.6.1, 2.6.2 2019b, 2020b broadwell, skylake, gpu, epyc iris, aion NLopt is a free/open-source library for nonlinear optimization, providing a common interface for a number of different free optimization routines available online as well as original implementations of various other algorithms.
OpenBLAS 0.3.12, 0.3.7 2020b, 2019b broadwell, epyc, skylake, gpu aion, iris OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
PETSc 3.14.4 2020b broadwell, epyc, skylake aion, iris PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations.
SLEPc 3.14.2 2020b broadwell, epyc, skylake aion, iris SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems.
ScaLAPACK 2.0.2, 2.1.0 2019b, 2020b broadwell, skylake, gpu, epyc iris, aion The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers.
SuiteSparse 5.8.1 2020b broadwell, epyc, skylake aion, iris SuiteSparse is a collection of libraries manipulate sparse matrices.
arpack-ng 3.7.0, 3.8.0 2019b, 2020b broadwell, skylake, epyc iris, aion ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
cuDNN 7.6.4.38, 8.0.4.30, 8.0.5.39 2019b, 2020b gpu iris The NVIDIA CUDA Deep Neural Network library (cuDNN) is a GPU-accelerated library of primitives for deep neural networks.
imkl 2019.5.281, 2020.4.304 2019b, 2020b broadwell, skylake, gpu, epyc iris, aion Intel Math Kernel Library is a library of highly optimized, extensively threaded math routines for science, engineering, and financial applications that require maximum performance. Core math functions include BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math, and more.

Last update: December 1, 2022