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Resources software - Maths Libraries
| Name | Version | Description | Topic | Availability | Target user |
|---|---|---|---|---|---|
| 2decomp_fft | 1.5.847 |
Library for 2D pencil decomposition and distributed Fast Fourier Transform |
Maths Libraries | GALILEO100, MARCONI | all |
| Amgx | 2.2.0 |
A GPU accelerated core solver library to speed up computationally intense linear solvers |
Maths Libraries, Production Environment | MARCONI100 | all |
| Armadillo | 9.200.4 |
Armadillo is a high quality linear algebra library (matrix maths) for the C++ language, aiming towards a good balance between speed and ease of use |
Maths Libraries | MARCONI | all |
| BLAS | 3.8.0 |
Basic Linear Algebra Subprograms |
Maths Libraries, Physics | MARCONI, MARCONI100 | academic |
| Boost | 1.80.0 (LEONARDO), 1.78.0 (MARCONI), 1.76.0 (M100), 1.77.0 (G100) |
Boost provides free peer-reviewed portable C++ source libraries. |
Maths Libraries | GALILEO100, LEONARDO, MARCONI, MARCONI100 | all |
| CGAL | 4.13 (MARCONI) |
Computational Geometry Algorithms Library |
Maths Libraries | MARCONI | all |
| Cirq | 0.7.0 |
Cirq is a Python library for writing, manipulating, and optimizing quantum circuits and running them against quantum computers and simulators. |
Maths Libraries, Production Environment | MARCONI100 | all |
| CubeLib | 4.4 |
The Cube 4.x series and the associated Cube4 data format is provided for Cube files produced with the Score-P performance instrumentation and measurement infrastructure, the Scalasca version 2.x trace analyzer and other compatible tools. |
Maths Libraries | MARCONI | all |
| Deal.II | 9.0.1 (MARCONI) |
Deal.II is a A C++ software library supporting the creation of finite element codes and an open community of users and developers. |
Maths Libraries | MARCONI | all |
| Elsi | 2.5.0 |
ELSI provides and enhances scalable, open-source software library solutions for electronic structure calculations in materials science, condensed matter physics, chemistry, and many other fields. |
Maths Libraries | MARCONI100 | all |
| Essl | 6.2.1 (M100) |
Engineering and Scientific Subroutine Library |
Maths Libraries | MARCONI100 | all |
| FFTW | 3.3.10 (G100) 3.3.8 (MARCONI) 3.3.8 (M100) |
Fastest Fourier Transform in the West |
Maths Libraries | GALILEO100, MARCONI, MARCONI100 | all |
| GMP | 6.1.2 (MARCONI) |
GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating-point numbers. GMP has a rich set of functions, and the functions have a regular interface. |
Maths Libraries | MARCONI | all |
| Gmplib | 6.2.0 |
The GNU Multiple Precision Arithmetic Library |
Maths Libraries | MARCONI100 | all |
| Gsl | 2.5 (MARCONI), 2.6 (M100), 2.7 (G100) |
GNU Scientific Library: numerical library for C and C++ |
Maths Libraries, Production Environment | GALILEO100, MARCONI, MARCONI100 | all |
| GTS | 0.7.6 |
GNU Triangulated Surface Library |
Maths Libraries | MARCONI | all |
| Hdf5 | 1.12.0 (M100) 1.10.7 (G100) 1.12.2 (MARCONI) |
HDF5 is a unique technology suite that makes possible the management of extremely large and complex data collections. |
Maths Libraries | GALILEO100, MARCONI, MARCONI100 | all |
| Healpix | 3.50(Marconi), 3.70 (M100) |
Hierarchical Equal Area isoLatitude Pixelation of a sphere. |
Maths Libraries | MARCONI, MARCONI100 | academic |
| LAPACK | 3.9.0 (M100) 3.8 (G100, MARCONI) |
Linear Algebra PACKage: Fortran library for solving linear equations, eigenvalue problems, and singular value problems. |
Maths Libraries | GALILEO100, MARCONI, MARCONI100 | academic |
| Libxc | 4.3.4 (MARCONI) 5.1.4 (M100) 5.1.5 (G100) |
Libxc is a library of exchange-correlation functionals for density-functional theory. |
Maths Libraries | GALILEO100, MARCONI, MARCONI100 | all |
| MAGMA | 2.5.3--cuda--10.2 (M100) |
A dense linear algebra library similar to LAPACK but for heterogeneous/hybrid architectures, starting with current "Multicore+GPU" systems. |
Maths Libraries, Production Environment | MARCONI100 | all |
| Matheval | 1.1.11--intelmpi--2018--binary |
GNU libmatheval is a library (callable from C and Fortran) to parse and evaluate symbolic expressions input as text. |
Maths Libraries | MARCONI | all |
| MKL | oneapi-2021 (MARCONI) oneapi-2021-binary (G100) |
The Intel Math Kernel Library |
Maths Libraries | GALILEO100, MARCONI | all |
| Mpfr | 4.1.0(MARCONI), 4.0.2 (M100) |
A C library for multiple-precision floating-point computations |
Maths Libraries | MARCONI, MARCONI100 | all |
| MUMPS | 5.1.2 |
MUMPS: a MUltifrontal Massively Parallel sparse direct Solver |
Maths Libraries | MARCONI | all |
| NAG | mark27--binary |
Numerical Algorithms Group (NAG) libraries |
Maths Libraries | MARCONI | all |
| NetCDF | 4.9.0 (MARCONI) 4.7.3 (M100) 4.7.4 (G100) |
NetCDF is a set of software libraries and self-describing, machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. |
Maths Libraries | GALILEO100, MARCONI, MARCONI100 | all |
| NetCDF-cxx4 | 4.3.0 |
C++ interface of NetCDF, a set of software libraries and self-describing, machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. |
Maths Libraries | MARCONI | all |
| NetCDFF | 4.9.0 (MARCONI), 4.5.2 (M100), 4.5.3 (G100) |
Fortran interface of NetCDF, a set of software libraries and self-describing, machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. |
Maths Libraries | GALILEO100, MARCONI, MARCONI100 | all |
| NumPy | 1.14.0-python3.6 (MARCONI) 1.19.4--python3.8.2 (M100) |
NumPy for scientific computing with Python |
Maths Libraries | MARCONI, MARCONI100 | all |
| Octave | 5.1.0(MARCONI), 6.2.0 (M100) |
GNU Octave is a high-level language, primarily intended for numerical computations. |
Maths Libraries | MARCONI, MARCONI100 | all |
| Openblas | 0.3.9--gnu--8.4.0,0.3.17 (M100) 0.3.12 (G100) |
OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version. |
Maths Libraries | GALILEO100, MARCONI100 | all |
| P4est | 2.0--intelmpi--2018--binary (MARCONI) 2.3--intelmpi--2021--binary (G100) |
The p4est software library enables the dynamic management of a collection of adaptive octrees, conveniently called a forest of octrees. |
Maths Libraries | GALILEO100, MARCONI | all |
| ParMETIS | 4.0.3 |
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. |
Maths Libraries | GALILEO100, MARCONI, MARCONI100 | all |
| PETSc | 3.16.0 (MARCONI), 3.13.1(M100) 3.15.2 (G100) |
Suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations |
Maths Libraries | GALILEO100, MARCONI, MARCONI100 | all |
| Petsc4foam | dev--spectrum_mpi--10.4.0--binary |
Exploration and testing of linear solvers, matrix operations |
Maths Libraries | MARCONI100 | all |
| PLASMA | 2.8.0--intel--pe-xe-2018--binary |
PLASMA is a software package for solving problems in dense linear algebra |
Maths Libraries | MARCONI | all |
| Pytorch | 1.7 (M100) 1.1.0--python--3.6.4 (MARCONI) |
PyTorch is an open source machine learning library |
Deep Learning, Maths Libraries | MARCONI, MARCONI100 | all |
| Qt | 5.9.0--gnu--6.1.0 (MARCONI), 6.1--gnu--8.4.0(M100) |
Cross-platform application and GUI framework |
Maths Libraries, Production Environment | MARCONI, MARCONI100 | all |
| R | 4.2.0 (G100) 3.6.1 (Marconi) 4.0.1 (M100) |
Statistical computing and graphics |
Bioinformatics, Engineering, Life Science, Maths Libraries | GALILEO100, MARCONI, MARCONI100 | all |
| ScaLAPACK | 2.0.2 (MARCONI), 2.1.0--spectrum_mpi--10.3.1--binary(M100), 2.1.0 (G100) |
ScaLAPACK is a library of high-performance linear algebra routines for parallel distributed memory machine |
Maths Libraries | GALILEO100, MARCONI, MARCONI100 | all |
| SciPy | 1.5.1 (M100) 1.2.2 (MARCONI) |
SciPy (pronounced “Sigh Pie”) is open-source software for mathematics, science, and engineering. |
Deep Learning, Maths Libraries, Quantum Computing | MARCONI, MARCONI100 | all |
| Slate | 2021.05.02 |
The Software for Linear Algebra Targeting Exascale (SLATE) provides fundamental dense linear algebra capabilities to the high-performance computing (HPC) community. |
Maths Libraries | MARCONI100 | all |
| SLEPc | 3.8.2_complex--intelmpi--2018--binary |
SLEPc is a software library for the solution of large sparse eigenproblems on parallel computers. |
Maths Libraries | MARCONI | all |
| Szip | 2.1.1--gnu--8.4.0 (M100) 2.1.1 (Marconi) |
Szip is an implementation of the extended-Rice lossless compression algorithm. |
Maths Libraries | MARCONI, MARCONI100 | all |
| WSMP | 19.06.27--intelmpi--2018--binary |
Watson Sparse Matrix Package (WSMP) is a collection of algorithms for efficiently solving large sparse systems of linear equations. |
Maths Libraries | MARCONI | restricted |