Mathematics

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

Software Versions Swsets Architectures Clusters Description
CPLEX 12.10 2019b broadwell, skylake iris IBM ILOG CPLEX Optimizer's mathematical programming technology enables analytical decision support for improving efficiency, reducing costs, and increasing profitability.
Dakota 6.11.0, 6.15.0 2019b, 2020b broadwell, skylake iris The Dakota project delivers both state-of-the-art research and robust, usable software for optimization and UQ. Broadly, the Dakota software's advanced parametric analyses enable design exploration, model calibration, risk analysis, and quantification of margins and uncertainty with computational models."
ELPA 2019.11.001, 2020.11.001 2019b, 2020b broadwell, epyc, skylake iris, aion Eigenvalue SoLvers for Petaflop-Applications .
Eigen 3.3.7, 3.3.8, 3.4.0 2019b, 2020b broadwell, skylake, gpu, epyc iris, aion Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms.
GEOS 3.8.0, 3.9.1 2019b, 2020b broadwell, skylake, gpu, epyc iris, aion GEOS (Geometry Engine - Open Source) is a C++ port of the Java Topology Suite (JTS)
GMP 6.1.2, 6.2.0 2019b, 2020b broadwell, skylake, gpu, epyc iris, aion GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating point numbers.
Gurobi 9.0.0, 9.1.2 2019b, 2020b broadwell, skylake, epyc iris, aion The Gurobi Optimizer is a state-of-the-art solver for mathematical programming. The solvers in the Gurobi Optimizer were designed from the ground up to exploit modern architectures and multi-core processors, using the most advanced implementations of the latest algorithms.
Harminv 1.4.1 2019b broadwell, skylake iris Harminv is a free program (and accompanying library) to solve the problem of harmonic inversion - given a discrete-time, finite-length signal that consists of a sum of finitely-many sinusoids (possibly exponentially decaying) in a given bandwidth, it determines the frequencies, decay constants, amplitudes, and phases of those sinusoids.
ISL 0.23 2020b broadwell, epyc, skylake aion, iris isl is a library for manipulating sets and relations of integer points bounded by linear constraints.
Keras 2.3.1, 2.4.3 2019b, 2020b gpu, broadwell, epyc, skylake iris, aion Keras is a deep learning API written in Python, running on top of the machine learning platform TensorFlow.
MATLAB 2019b, 2020a, 2021a 2019b, 2020b broadwell, skylake, epyc iris, aion MATLAB is a high-level language and interactive environment that enables you to perform computationally intensive tasks faster than with traditional programming languages such as C, C++, and Fortran.
METIS 5.1.0 2019b, 2020b broadwell, skylake, epyc iris, aion METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes, and producing fill reducing orderings for sparse matrices. The algorithms implemented in METIS are based on the multilevel recursive-bisection, multilevel k-way, and multi-constraint partitioning schemes.
MPC 1.2.1 2020b broadwell, epyc, skylake aion, iris Gnu Mpc is a C library for the arithmetic of complex numbers with arbitrarily high precision and correct rounding of the result. It extends the principles of the IEEE-754 standard for fixed precision real floating point numbers to complex numbers, providing well-defined semantics for every operation. At the same time, speed of operation at high precision is a major design goal.
MPFR 4.0.2, 4.1.0 2019b, 2020b broadwell, skylake, gpu, epyc iris, aion The MPFR library is a C library for multiple-precision floating-point computations with correct rounding.
MUMPS 5.3.5 2020b broadwell, epyc, skylake aion, iris A parallel sparse direct solver
Mathematica 12.0.0, 12.1.0 2019b, 2020b broadwell, skylake, epyc iris, aion Mathematica is a computational software program used in many scientific, engineering, mathematical and computing fields.
Mesquite 2.3.0 2019b broadwell, skylake iris Mesh-Quality Improvement Library
ParMETIS 4.0.3 2019b broadwell, skylake iris ParMETIS is an MPI-based parallel library that implements a variety of algorithms for partitioning unstructured graphs, meshes, and for computing fill-reducing orderings of sparse matrices. ParMETIS extends the functionality provided by METIS and includes routines that are especially suited for parallel AMR computations and large scale numerical simulations. The algorithms implemented in ParMETIS are based on the parallel multilevel k-way graph-partitioning, adaptive repartitioning, and parallel multi-constrained partitioning schemes.
ParMGridGen 1.0 2019b broadwell, skylake iris ParMGridGen is an MPI-based parallel library that is based on the serial package MGridGen, that implements (serial) algorithms for obtaining a sequence of successive coarse grids that are well-suited for geometric multigrid methods.
SCOTCH 6.0.9, 6.1.0 2019b, 2020b broadwell, skylake, epyc iris, aion Software package and libraries for sequential and parallel graph partitioning, static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning.
Stata 17 2020b broadwell, epyc, skylake aion, iris Stata is a complete, integrated statistical software package that provides everything you need for data analysis, data management, and graphics.
Theano 1.0.4, 1.1.2 2019b, 2020b gpu, broadwell, epyc, skylake iris, aion Theano is a Python library that allows you to define, optimize, and evaluate mathematical expressions involving multi-dimensional arrays efficiently.
Voro++ 0.4.6 2019b broadwell, skylake iris Voro++ is a software library for carrying out three-dimensional computations of the Voronoi tessellation. A distinguishing feature of the Voro++ library is that it carries out cell-based calculations, computing the Voronoi cell for each particle individually. It is particularly well-suited for applications that rely on cell-based statistics, where features of Voronoi cells (eg. volume, centroid, number of faces) can be used to analyze a system of particles.
gmsh 4.8.4 2020b broadwell, epyc, skylake aion, iris Gmsh is a 3D finite element grid generator with a build-in CAD engine and post-processor.
libcerf 1.13, 1.14 2019b, 2020b broadwell, skylake, epyc iris, aion libcerf is a self-contained numeric library that provides an efficient and accurate implementation of complex error functions, along with Dawson, Faddeeva, and Voigt functions.
magma 2.5.1, 2.5.4 2019b, 2020b gpu iris The MAGMA project aims to develop a dense linear algebra library similar to LAPACK but for heterogeneous/hybrid architectures, starting with current Multicore+GPU systems.
molmod 1.4.5 2019b broadwell, skylake iris MolMod is a Python library with many compoments that are useful to write molecular modeling programs.
scipy 1.4.1 2019b broadwell, skylake, gpu iris SciPy is a collection of mathematical algorithms and convenience functions built on the Numpy extension for Python.

Last update: December 1, 2022