Full List (alphabetical order)
| Software | Versions | Swsets | Architectures | Clusters | Category | Description |
|---|---|---|---|---|---|---|
| ABAQUS | 2018, 2021 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | CFD/Finite element modelling | Finite Element Analysis software for modeling, visualization and best-in-class implicit and explicit dynamics FEA. |
| ABINIT | 9.4.1 | 2020b | epyc | aion | Chemistry | ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis. |
| ABySS | 2.2.5 | 2020b | broadwell, epyc, skylake | aion, iris | Biology | Assembly By Short Sequences - a de novo, parallel, paired-end sequence assembler |
| ACTC | 1.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Libraries | ACTC converts independent triangles into triangle strips or fans. |
| ANSYS | 19.4, 21.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Utilities | ANSYS simulation software enables organizations to confidently predict how their products will operate in the real world. We believe that every product is a promise of something greater. |
| AOCC | 3.1.0 | 2020b | epyc | aion | Compilers | AMD Optimized C/C++ & Fortran compilers (AOCC) based on LLVM 12.0 |
| ASE | 3.19.0, 3.20.1, 3.21.1 | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Chemistry | ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language. From version 3.20.1 we also include the ase-ext package, it contains optional reimplementations in C of functions in ASE. ASE uses it automatically when installed. |
| ATK | 2.34.1, 2.36.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | ATK provides the set of accessibility interfaces that are implemented by other toolkits and applications. Using the ATK interfaces, accessibility tools have full access to view and control running applications. |
| Advisor | 2019_update5 | 2019b | broadwell, skylake | iris | Performance measurements | Vectorization Optimization and Thread Prototyping - Vectorize & thread code or performance “dies” - Easy workflow + data + tips = faster code faster - Prioritize, Prototype & Predict performance gain |
| Anaconda3 | 2020.02, 2020.11 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Programming Languages | Built to complement the rich, open source Python community, the Anaconda platform provides an enterprise-ready data analytics platform that empowers companies to adopt a modern open data science analytics architecture. |
| ArmForge | 20.0.3 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Utilities | The industry standard development package for C, C++ and Fortran high performance code on Linux. Forge is designed to handle the complex software projects - including parallel, multiprocess and multithreaded code. Arm Forge combines an industry-leading debugger, Arm DDT, and an out-of-the-box-ready profiler, Arm MAP. |
| ArmReports | 20.0.3 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Utilities | Arm Performance Reports - a low-overhead tool that produces one-page text and HTML reports summarizing and characterizing both scalar and MPI application performance. Arm Performance Reports runs transparently on optimized production-ready codes by adding a single command to your scripts, and provides the most effective way to characterize and understand the performance of HPC application runs. |
| Armadillo | 10.5.3, 9.900.1 | 2020b, 2019b | broadwell, epyc, skylake | aion, iris | Numerical libraries | 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. |
| Arrow | 0.16.0 | 2019b | broadwell, skylake | iris | Data processing | Apache Arrow (incl. PyArrow Python bindings)), a cross-language development platform for in-memory data. |
| Aspera-CLI | 3.9.1, 3.9.6 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Utilities | IBM Aspera Command-Line Interface (the Aspera CLI) is a collection of Aspera tools for performing high-speed, secure data transfers from the command line. The Aspera CLI is for users and organizations who want to automate their transfer workflows. |
| Autoconf | 2.69 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | Autoconf is an extensible package of M4 macros that produce shell scripts to automatically configure software source code packages. These scripts can adapt the packages to many kinds of UNIX-like systems without manual user intervention. Autoconf creates a configuration script for a package from a template file that lists the operating system features that the package can use, in the form of M4 macro calls. |
| Automake | 1.16.1, 1.16.2 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | Automake: GNU Standards-compliant Makefile generator |
| Autotools | 20180311, 20200321 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | This bundle collect the standard GNU build tools: Autoconf, Automake and libtool |
| BEDTools | 2.29.2, 2.30.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Biology | BEDTools: a powerful toolset for genome arithmetic. The BEDTools utilities allow one to address common genomics tasks such as finding feature overlaps and computing coverage. The utilities are largely based on four widely-used file formats: BED, GFF/GTF, VCF, and SAM/BAM. |
| BLAST+ | 2.11.0, 2.9.0 | 2020b, 2019b | broadwell, epyc, skylake | aion, iris | Biology | Basic Local Alignment Search Tool, or BLAST, is an algorithm for comparing primary biological sequence information, such as the amino-acid sequences of different proteins or the nucleotides of DNA sequences. |
| BWA | 0.7.17 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Biology | Burrows-Wheeler Aligner (BWA) is an efficient program that aligns relatively short nucleotide sequences against a long reference sequence such as the human genome. |
| BamTools | 2.5.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Biology | BamTools provides both a programmer's API and an end-user's toolkit for handling BAM files. |
| Bazel | 0.26.1, 0.29.1, 3.7.2 | 2019b, 2020b | gpu, broadwell, skylake, epyc | iris, aion | Development | Bazel is a build tool that builds code quickly and reliably. It is used to build the majority of Google's software. |
| BioPerl | 1.7.2, 1.7.8 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Biology | Bioperl is the product of a community effort to produce Perl code which is useful in biology. Examples include Sequence objects, Alignment objects and database searching objects. |
| Bison | 3.3.2, 3.5.3, 3.7.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Programming Languages | Bison is a general-purpose parser generator that converts an annotated context-free grammar into a deterministic LR or generalized LR (GLR) parser employing LALR(1) parser tables. |
| Boost.Python | 1.74.0 | 2020b | broadwell, epyc, skylake | aion, iris | Libraries | Boost.Python is a C++ library which enables seamless interoperability between C++ and the Python programming language. |
| Boost | 1.71.0, 1.74.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Development | Boost provides free peer-reviewed portable C++ source libraries. |
| Bowtie2 | 2.3.5.1, 2.4.2 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Biology | Bowtie 2 is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters, and particularly good at aligning to relatively long (e.g. mammalian) genomes. Bowtie 2 indexes the genome with an FM Index to keep its memory footprint small: for the human genome, its memory footprint is typically around 3.2 GB. Bowtie 2 supports gapped, local, and paired-end alignment modes. |
| CGAL | 4.14.1, 5.2 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Numerical libraries | 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. |
| CMake | 3.15.3, 3.18.4, 3.20.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | CMake, the cross-platform, open-source build system. CMake is a family of tools designed to build, test and package software. |
| CPLEX | 12.10 | 2019b | broadwell, skylake | iris | Mathematics | IBM ILOG CPLEX Optimizer's mathematical programming technology enables analytical decision support for improving efficiency, reducing costs, and increasing profitability. |
| CRYSTAL | 17 | 2019b | broadwell, skylake | iris | Chemistry | The CRYSTAL package performs ab initio calculations of the ground state energy, energy gradient, electronic wave function and properties of periodic systems. Hartree-Fock or Kohn- Sham Hamiltonians (that adopt an Exchange-Correlation potential following the postulates of Density-Functional Theory) can be used. |
| CUDA | 10.1.243, 11.1.1 | 2019b, 2020b | gpu | iris | System-level software | CUDA (formerly Compute Unified Device Architecture) is a parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce. CUDA gives developers access to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs. |
| CUDAcore | 11.1.1 | 2020b | gpu | iris | System-level software | CUDA (formerly Compute Unified Device Architecture) is a parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce. CUDA gives developers access to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs. |
| Check | 0.15.2 | 2020b | gpu | iris | Libraries | Check is a unit testing framework for C. It features a simple interface for defining unit tests, putting little in the way of the developer. Tests are run in a separate address space, so both assertion failures and code errors that cause segmentation faults or other signals can be caught. Test results are reportable in the following: Subunit, TAP, XML, and a generic logging format. |
| Clang | 11.0.1, 9.0.1 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Compilers | C, C++, Objective-C compiler, based on LLVM. Does not include C++ standard library -- use libstdc++ from GCC. |
| CubeGUI | 4.4.4 | 2019b | broadwell, skylake | iris | Performance measurements | Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity. This module provides the Cube graphical report explorer. |
| CubeLib | 4.4.4 | 2019b | broadwell, skylake | iris | Performance measurements | Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity. This module provides the Cube general purpose C++ library component and command-line tools. |
| CubeWriter | 4.4.3 | 2019b | broadwell, skylake | iris | Performance measurements | Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity. This module provides the Cube high-performance C writer library component. |
| DB | 18.1.32, 18.1.40 | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Utilities | Berkeley DB enables the development of custom data management solutions, without the overhead traditionally associated with such custom projects. |
| DB_File | 1.855 | 2020b | broadwell, epyc, skylake | aion, iris | Data processing | Perl5 access to Berkeley DB version 1.x. |
| DBus | 1.13.12, 1.13.18 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Development | D-Bus is a message bus system, a simple way for applications to talk to one another. In addition to interprocess communication, D-Bus helps coordinate process lifecycle; it makes it simple and reliable to code a "single instance" application or daemon, and to launch applications and daemons on demand when their services are needed. |
| DMTCP | 2.5.2 | 2019b | broadwell, skylake | iris | Utilities | DMTCP is a tool to transparently checkpoint the state of multiple simultaneous applications, including multi-threaded and distributed applications. It operates directly on the user binary executable, without any Linux kernel modules or other kernel modifications. |
| Dakota | 6.11.0, 6.15.0 | 2019b, 2020b | broadwell, skylake | iris | Mathematics | 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." |
| Doxygen | 1.8.16, 1.8.20 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | Doxygen is a documentation system for C++, C, Java, Objective-C, Python, IDL (Corba and Microsoft flavors), Fortran, VHDL, PHP, C#, and to some extent D. |
| ELPA | 2019.11.001, 2020.11.001 | 2019b, 2020b | broadwell, epyc, skylake | iris, aion | Mathematics | Eigenvalue SoLvers for Petaflop-Applications . |
| EasyBuild | 4.3.0, 4.3.3, 4.4.1, 4.4.2, 4.5.4 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | EasyBuild is a software build and installation framework written in Python that allows you to install software in a structured, repeatable and robust way. |
| Eigen | 3.3.7, 3.3.8, 3.4.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Mathematics | Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms. |
| Elk | 6.3.2, 7.0.12 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Physics | An all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training Network, the code is designed to be as simple as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably. |
| FDS | 6.7.1, 6.7.6 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Physics | Fire Dynamics Simulator (FDS) is a large-eddy simulation (LES) code for low-speed flows, with an emphasis on smoke and heat transport from fires. |
| FFTW | 3.3.8 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Numerical libraries | 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. |
| FFmpeg | 4.2.1, 4.3.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | A complete, cross-platform solution to record, convert and stream audio and video. |
| FLAC | 1.3.3 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | FLAC stands for Free Lossless Audio Codec, an audio format similar to MP3, but lossless, meaning that audio is compressed in FLAC without any loss in quality. |
| FLTK | 1.3.5 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | FLTK is a cross-platform C++ GUI toolkit for UNIX/Linux (X11), Microsoft Windows, and MacOS X. FLTK provides modern GUI functionality without the bloat and supports 3D graphics via OpenGL and its built-in GLUT emulation. |
| FastQC | 0.11.9 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Biology | FastQC is a quality control application for high throughput sequence data. It reads in sequence data in a variety of formats and can either provide an interactive application to review the results of several different QC checks, or create an HTML based report which can be integrated into a pipeline. |
| Flask | 1.1.2 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | Flask is a lightweight WSGI web application framework. It is designed to make getting started quick and easy, with the ability to scale up to complex applications. This module includes the Flask extensions: Flask-Cors |
| Flink | 1.11.2 | 2020b | broadwell, epyc, skylake | aion, iris | Development | Apache Flink is a framework and distributed processing engine for stateful computations over unbounded and bounded data streams. Flink has been designed to run in all common cluster environments, perform computations at in-memory speed and at any scale. |
| FreeImage | 3.18.0 | 2020b | broadwell, epyc, skylake | aion, iris | Visualisation | FreeImage is an Open Source library project for developers who would like to support popular graphics image formats like PNG, BMP, JPEG, TIFF and others as needed by today's multimedia applications. FreeImage is easy to use, fast, multithreading safe. |
| FriBidi | 1.0.10, 1.0.5 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Programming Languages | The Free Implementation of the Unicode Bidirectional Algorithm. |
| GCC | 10.2.0, 8.3.0 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Compilers | The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada, as well as libraries for these languages (libstdc++, libgcj,...). |
| GCCcore | 10.2.0, 8.3.0 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Compilers | The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada, as well as libraries for these languages (libstdc++, libgcj,...). |
| GDAL | 3.0.2, 3.2.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Data processing | GDAL is a translator library for raster geospatial data formats that is released under an X/MIT style Open Source license by the Open Source Geospatial Foundation. As a library, it presents a single abstract data model to the calling application for all supported formats. It also comes with a variety of useful commandline utilities for data translation and processing. |
| GDB | 10.1, 9.1 | 2020b, 2019b | broadwell, epyc, skylake | aion, iris | Debugging | The GNU Project Debugger |
| GDRCopy | 2.1 | 2020b | gpu | iris | Libraries | A low-latency GPU memory copy library based on NVIDIA GPUDirect RDMA technology. |
| GEOS | 3.8.0, 3.9.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Mathematics | GEOS (Geometry Engine - Open Source) is a C++ port of the Java Topology Suite (JTS) |
| GLPK | 4.65 | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Utilities | The GLPK (GNU Linear Programming Kit) package is intended for solving large-scale linear programming (LP), mixed integer programming (MIP), and other related problems. It is a set of routines written in ANSI C and organized in the form of a callable library. |
| GLib | 2.62.0, 2.66.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | GLib is one of the base libraries of the GTK+ project |
| GMP | 6.1.2, 6.2.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Mathematics | GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating point numbers. |
| GObject-Introspection | 1.63.1, 1.66.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Development | GObject introspection is a middleware layer between C libraries (using GObject) and language bindings. The C library can be scanned at compile time and generate a metadata file, in addition to the actual native C library. Then at runtime, language bindings can read this metadata and automatically provide bindings to call into the C library. |
| GPAW-setups | 0.9.20000 | 2019b | broadwell, skylake | iris | Chemistry | PAW setup for the GPAW Density Functional Theory package. Users can install setups manually using 'gpaw install-data' or use setups from this package. The versions of GPAW and GPAW-setups can be intermixed. |
| GPAW | 20.1.0 | 2019b | broadwell, skylake | iris | Chemistry | GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods or atom-centered basis-functions. |
| GROMACS | 2019.4, 2019.6, 2020, 2021, 2021.2 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Biology | GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. This is a CPU only build, containing both MPI and threadMPI builds for both single and double precision. It also contains the gmxapi extension for the single precision MPI build. |
| GSL | 2.6 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Numerical libraries | 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. |
| GTK+ | 3.24.13, 3.24.23 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | GTK+ is the primary library used to construct user interfaces in GNOME. It provides all the user interface controls, or widgets, used in a common graphical application. Its object-oriented API allows you to construct user interfaces without dealing with the low-level details of drawing and device interaction. |
| Gdk-Pixbuf | 2.38.2, 2.40.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | The Gdk Pixbuf is a toolkit for image loading and pixel buffer manipulation. It is used by GTK+ 2 and GTK+ 3 to load and manipulate images. In the past it was distributed as part of GTK+ 2 but it was split off into a separate package in preparation for the change to GTK+ 3. |
| Ghostscript | 9.50, 9.53.3 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | Ghostscript is a versatile processor for PostScript data with the ability to render PostScript to different targets. It used to be part of the cups printing stack, but is no longer used for that. |
| Go | 1.14.1, 1.16.6 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Compilers | Go is an open source programming language that makes it easy to build simple, reliable, and efficient software. |
| Guile | 1.8.8, 2.2.4 | 2019b | broadwell, skylake | iris | Programming Languages | Guile is a programming language, designed to help programmers create flexible applications that can be extended by users or other programmers with plug-ins, modules, or scripts. |
| Gurobi | 9.0.0, 9.1.2 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Mathematics | 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. |
| HDF5 | 1.10.5, 1.10.7 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Data processing | HDF5 is a data model, library, and file format for storing and managing data. It supports an unlimited variety of datatypes, and is designed for flexible and efficient I/O and for high volume and complex data. |
| HDF | 4.2.15 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Data processing | HDF (also known as HDF4) is a library and multi-object file format for storing and managing data between machines. |
| HTSlib | 1.10.2, 1.12 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Biology | A C library for reading/writing high-throughput sequencing data. This package includes the utilities bgzip and tabix |
| Hadoop | 2.10.0 | 2020b | broadwell, epyc, skylake | aion, iris | Utilities | Hadoop MapReduce by Cloudera |
| HarfBuzz | 2.6.4, 2.6.7 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | HarfBuzz is an OpenType text shaping engine. |
| Harminv | 1.4.1 | 2019b | broadwell, skylake | iris | Mathematics | 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. |
| Horovod | 0.19.1, 0.22.0 | 2019b, 2020b | broadwell, skylake, gpu | iris | Utilities | Horovod is a distributed training framework for TensorFlow. |
| Hypre | 2.20.0 | 2020b | broadwell, epyc, skylake | aion, iris | Numerical libraries | 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. |
| ICU | 64.2, 67.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | ICU is a mature, widely used set of C/C++ and Java libraries providing Unicode and Globalization support for software applications. |
| ISL | 0.23 | 2020b | broadwell, epyc, skylake | aion, iris | Mathematics | isl is a library for manipulating sets and relations of integer points bounded by linear constraints. |
| ImageMagick | 7.0.10-35, 7.0.9-5 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Visualisation | ImageMagick is a software suite to create, edit, compose, or convert bitmap images |
| Inspector | 2019_update5 | 2019b | broadwell, skylake | iris | Utilities | Intel Inspector XE is an easy to use memory error checker and thread checker for serial and parallel applications |
| JasPer | 2.0.14, 2.0.24 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | The JasPer Project is an open-source initiative to provide a free software-based reference implementation of the codec specified in the JPEG-2000 Part-1 standard. |
| Java | 1.8.0_241, 11.0.2, 13.0.2, 16.0.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Programming Languages | Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers. |
| Jellyfish | 2.3.0 | 2019b | broadwell, skylake | iris | Biology | Jellyfish is a tool for fast, memory-efficient counting of k-mers in DNA. |
| JsonCpp | 1.9.3, 1.9.4 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | JsonCpp is a C++ library that allows manipulating JSON values, including serialization and deserialization to and from strings. It can also preserve existing comment in unserialization/serialization steps, making it a convenient format to store user input files. |
| Julia | 1.4.1, 1.6.2 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Programming Languages | Julia is a high-level, high-performance dynamic programming language for numerical computing |
| Keras | 2.3.1, 2.4.3 | 2019b, 2020b | gpu, broadwell, epyc, skylake | iris, aion | Mathematics | Keras is a deep learning API written in Python, running on top of the machine learning platform TensorFlow. |
| LAME | 3.100 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Data processing | LAME is a high quality MPEG Audio Layer III (MP3) encoder licensed under the LGPL. |
| LLVM | 10.0.1, 11.0.0, 9.0.0, 9.0.1 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Compilers | The LLVM Core libraries provide a modern source- and target-independent optimizer, along with code generation support for many popular CPUs (as well as some less common ones!) These libraries are built around a well specified code representation known as the LLVM intermediate representation ("LLVM IR"). The LLVM Core libraries are well documented, and it is particularly easy to invent your own language (or port an existing compiler) to use LLVM as an optimizer and code generator. |
| LMDB | 0.9.24 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | LMDB is a fast, memory-efficient database. With memory-mapped files, it has the read performance of a pure in-memory database while retaining the persistence of standard disk-based databases. |
| LibTIFF | 4.0.10, 4.1.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | tiff: Library and tools for reading and writing TIFF data files |
| LittleCMS | 2.11, 2.9 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Visualisation | Little CMS intends to be an OPEN SOURCE small-footprint color management engine, with special focus on accuracy and performance. |
| Lua | 5.1.5, 5.4.2 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Programming Languages | Lua is a powerful, fast, lightweight, embeddable scripting language. Lua combines simple procedural syntax with powerful data description constructs based on associative arrays and extensible semantics. Lua is dynamically typed, runs by interpreting bytecode for a register-based virtual machine, and has automatic memory management with incremental garbage collection, making it ideal for configuration, scripting, and rapid prototyping. |
| M4 | 1.4.18 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | GNU M4 is an implementation of the traditional Unix macro processor. It is mostly SVR4 compatible although it has some extensions (for example, handling more than 9 positional parameters to macros). GNU M4 also has built-in functions for including files, running shell commands, doing arithmetic, etc. |
| MATLAB | 2019b, 2020a, 2021a | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Mathematics | 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 | Mathematics | 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 | Mathematics | 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 | Mathematics | 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 | Mathematics | A parallel sparse direct solver |
| Mako | 1.1.0, 1.1.3 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | A super-fast templating language that borrows the best ideas from the existing templating languages |
| Mathematica | 12.0.0, 12.1.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Mathematics | Mathematica is a computational software program used in many scientific, engineering, mathematical and computing fields. |
| Maven | 3.6.3 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Development | Binary maven install, Apache Maven is a software project management and comprehension tool. Based on the concept of a project object model (POM), Maven can manage a project's build, reporting and documentation from a central piece of information. |
| Meep | 1.4.3 | 2019b | broadwell, skylake | iris | Physics | Meep (or MEEP) is a free finite-difference time-domain (FDTD) simulation software package developed at MIT to model electromagnetic systems. |
| Mesa | 19.1.7, 19.2.1, 20.2.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | Mesa is an open-source implementation of the OpenGL specification - a system for rendering interactive 3D graphics. |
| Meson | 0.51.2, 0.55.3 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | Meson is a cross-platform build system designed to be both as fast and as user friendly as possible. |
| Mesquite | 2.3.0 | 2019b | broadwell, skylake | iris | Mathematics | Mesh-Quality Improvement Library |
| NAMD | 2.13 | 2019b | broadwell, skylake | iris | Chemistry | NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. |
| NASM | 2.14.02, 2.15.05 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Programming Languages | NASM: General-purpose x86 assembler |
| NCCL | 2.4.8, 2.8.3 | 2019b, 2020b | gpu | iris | Libraries | The NVIDIA Collective Communications Library (NCCL) implements multi-GPU and multi-node collective communication primitives that are performance optimized for NVIDIA GPUs. |
| NLopt | 2.6.1, 2.6.2 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Numerical libraries | 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. |
| NSPR | 4.21, 4.29 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Libraries | Netscape Portable Runtime (NSPR) provides a platform-neutral API for system level and libc-like functions. |
| NSS | 3.45, 3.57 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Libraries | Network Security Services (NSS) is a set of libraries designed to support cross-platform development of security-enabled client and server applications. |
| Ninja | 1.10.1, 1.9.0 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Utilities | Ninja is a small build system with a focus on speed. |
| OPARI2 | 2.0.5 | 2019b | broadwell, skylake | iris | Performance measurements | OPARI2, the successor of Forschungszentrum Juelich's OPARI, is a source-to-source instrumentation tool for OpenMP and hybrid codes. It surrounds OpenMP directives and runtime library calls with calls to the POMP2 measurement interface. |
| OTF2 | 2.2 | 2019b | broadwell, skylake | iris | Performance measurements | The Open Trace Format 2 is a highly scalable, memory efficient event trace data format plus support library. It is the new standard trace format for Scalasca, Vampir, and TAU and is open for other tools. |
| OpenBLAS | 0.3.12, 0.3.7 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Numerical libraries | OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version. |
| OpenCV | 4.2.0, 4.5.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | OpenCV (Open Source Computer Vision Library) is an open source computer vision and machine learning software library. OpenCV was built to provide a common infrastructure for computer vision applications and to accelerate the use of machine perception in the commercial products. Includes extra modules for OpenCV from the contrib repository. |
| OpenEXR | 2.5.5 | 2020b | broadwell, epyc, skylake | aion, iris | Visualisation | OpenEXR is a high dynamic-range (HDR) image file format developed by Industrial Light & Magic for use in computer imaging applications |
| OpenFOAM-Extend | 4.1-20200408 | 2019b | broadwell, skylake | iris | CFD/Finite element modelling | OpenFOAM is a free, open source CFD software package. OpenFOAM has an extensive range of features to solve anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics and electromagnetics. |
| OpenFOAM | 8, v1912 | 2020b, 2019b | epyc, broadwell, skylake | aion, iris | CFD/Finite element modelling | OpenFOAM is a free, open source CFD software package. OpenFOAM has an extensive range of features to solve anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics and electromagnetics. |
| OpenMPI | 3.1.4, 4.0.5 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | MPI | The Open MPI Project is an open source MPI-3 implementation. |
| PAPI | 6.0.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Performance measurements | PAPI provides the tool designer and application engineer with a consistent interface and methodology for use of the performance counter hardware found in most major microprocessors. PAPI enables software engineers to see, in near real time, the relation between software performance and processor events. In addition Component PAPI provides access to a collection of components that expose performance measurement opportunites across the hardware and software stack. |
| PCRE2 | 10.33, 10.35 | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Development | The PCRE library is a set of functions that implement regular expression pattern matching using the same syntax and semantics as Perl 5. |
| PCRE | 8.43, 8.44 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | The PCRE library is a set of functions that implement regular expression pattern matching using the same syntax and semantics as Perl 5. |
| PDT | 3.25 | 2019b | broadwell, skylake | iris | Performance measurements | Program Database Toolkit (PDT) is a framework for analyzing source code written in several programming languages and for making rich program knowledge accessible to developers of static and dynamic analysis tools. PDT implements a standard program representation, the program database (PDB), that can be accessed in a uniform way through a class library supporting common PDB operations. |
| PETSc | 3.14.4 | 2020b | broadwell, epyc, skylake | aion, iris | Numerical libraries | 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. |
| PGI | 19.10 | 2019b | broadwell, skylake | iris | Compilers | C, C++ and Fortran compilers from The Portland Group - PGI |
| PLUMED | 2.5.3, 2.7.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Chemistry | PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes. |
| POV-Ray | 3.7.0.8 | 2020b | broadwell, epyc, skylake | aion, iris | Visualisation | The Persistence of Vision Raytracer, or POV-Ray, is a ray tracing program which generates images from a text-based scene description, and is available for a variety of computer platforms. POV-Ray is a high-quality, Free Software tool for creating stunning three-dimensional graphics. The source code is available for those wanting to do their own ports. |
| PROJ | 6.2.1, 7.2.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | Program proj is a standard Unix filter function which converts geographic longitude and latitude coordinates into cartesian coordinates |
| Pango | 1.44.7, 1.47.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | Pango is a library for laying out and rendering of text, with an emphasis on internationalization. Pango can be used anywhere that text layout is needed, though most of the work on Pango so far has been done in the context of the GTK+ widget toolkit. Pango forms the core of text and font handling for GTK+-2.x. |
| ParMETIS | 4.0.3 | 2019b | broadwell, skylake | iris | Mathematics | 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 | Mathematics | 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. |
| ParaView | 5.6.2, 5.8.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | ParaView is a scientific parallel visualizer. |
| Perl | 5.30.0, 5.32.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Programming Languages | Larry Wall's Practical Extraction and Report Language This is a minimal build without any modules. Should only be used for build dependencies. |
| Pillow | 6.2.1, 8.0.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | Pillow is the 'friendly PIL fork' by Alex Clark and Contributors. PIL is the Python Imaging Library by Fredrik Lundh and Contributors. |
| PyOpenGL | 3.1.5 | 2020b | broadwell, epyc, skylake | aion, iris | Visualisation | PyOpenGL is the most common cross platform Python binding to OpenGL and related APIs. |
| PyQt5 | 5.15.1 | 2020b | broadwell, epyc, skylake | aion, iris | Visualisation | PyQt5 is a set of Python bindings for v5 of the Qt application framework from The Qt Company. This bundle includes PyQtWebEngine, a set of Python bindings for The Qt Company’s Qt WebEngine framework. |
| PyQtGraph | 0.11.1 | 2020b | broadwell, epyc, skylake | aion, iris | Visualisation | PyQtGraph is a pure-python graphics and GUI library built on PyQt5/PySide2 and numpy. |
| PyTorch-Geometric | 1.6.3 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | PyTorch Geometric (PyG) is a geometric deep learning extension library for PyTorch. |
| PyTorch | 1.4.0, 1.7.1, 1.8.1, 1.9.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | Tensors and Dynamic neural networks in Python with strong GPU acceleration. PyTorch is a deep learning framework that puts Python first. |
| PyYAML | 5.1.2, 5.3.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | PyYAML is a YAML parser and emitter for the Python programming language. |
| Python | 2.7.16, 2.7.18, 3.7.4, 3.8.6 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Programming Languages | Python is a programming language that lets you work more quickly and integrate your systems more effectively. |
| Qt5 | 5.13.1, 5.14.2 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Development | Qt is a comprehensive cross-platform C++ application framework. |
| QuantumESPRESSO | 6.7 | 2019b, 2020b | broadwell, epyc, skylake | iris, aion | Chemistry | Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft). |
| RDFlib | 5.0.0 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | RDFLib is a Python library for working with RDF, a simple yet powerful language for representing information. |
| R | 3.6.2, 4.0.5 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Programming Languages | R is a free software environment for statistical computing and graphics. |
| ReFrame | 2.21, 3.6.3 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Development | ReFrame is a framework for writing regression tests for HPC systems. |
| Ruby | 2.7.1, 2.7.2 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Programming Languages | Ruby is a dynamic, open source programming language with a focus on simplicity and productivity. It has an elegant syntax that is natural to read and easy to write. |
| Rust | 1.37.0 | 2019b | broadwell, skylake | iris | Programming Languages | Rust is a systems programming language that runs blazingly fast, prevents segfaults, and guarantees thread safety. |
| SAMtools | 1.10, 1.12 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Biology | SAM Tools provide various utilities for manipulating alignments in the SAM format, including sorting, merging, indexing and generating alignments in a per-position format. |
| SCOTCH | 6.0.9, 6.1.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Mathematics | Software package and libraries for sequential and parallel graph partitioning, static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning. |
| SDL2 | 2.0.14 | 2020b | broadwell, epyc, skylake | aion, iris | Libraries | SDL: Simple DirectMedia Layer, a cross-platform multimedia library |
| SIONlib | 1.7.6 | 2019b | broadwell, skylake | iris | Libraries | SIONlib is a scalable I/O library for parallel access to task-local files. The library not only supports writing and reading binary data to or from several thousands of processors into a single or a small number of physical files, but also provides global open and close functions to access SIONlib files in parallel. This package provides a stripped-down installation of SIONlib for use with performance tools (e.g., Score-P), with renamed symbols to avoid conflicts when an application using SIONlib itself is linked against a tool requiring a different SIONlib version. |
| SLEPc | 3.14.2 | 2020b | broadwell, epyc, skylake | aion, iris | Numerical libraries | 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. |
| SQLite | 3.29.0, 3.33.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | SQLite: SQL Database Engine in a C Library |
| SWIG | 4.0.1, 4.0.2 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages. |
| Salmon | 1.1.0 | 2019b | broadwell, skylake | iris | Biology | Salmon is a wicked-fast program to produce a highly-accurate, transcript-level quantification estimates from RNA-seq data. |
| Salome | 8.5.0, 9.8.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | CFD/Finite element modelling | The SALOME platform is an open source software framework for pre- and post-processing and integration of numerical solvers from various scientific fields. CEA and EDF use SALOME to perform a large number of simulations, typically related to power plant equipment and alternative energy. To address these challenges, SALOME includes a CAD/CAE modelling tool, mesh generators, an advanced 3D visualization tool, etc. |
| ScaLAPACK | 2.0.2, 2.1.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Numerical libraries | The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers. |
| Scalasca | 2.5 | 2019b | broadwell, skylake | iris | Performance measurements | Scalasca is a software tool that supports the performance optimization of parallel programs by measuring and analyzing their runtime behavior. The analysis identifies potential performance bottlenecks -- in particular those concerning communication and synchronization -- and offers guidance in exploring their causes. |
| SciPy-bundle | 2019.10, 2020.11 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Programming Languages | Bundle of Python packages for scientific software |
| Score-P | 6.0 | 2019b | broadwell, skylake | iris | Performance measurements | The Score-P measurement infrastructure is a highly scalable and easy-to-use tool suite for profiling, event tracing, and online analysis of HPC applications. |
| Singularity | 3.6.0, 3.8.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Utilities | SingularityCE is an open source container platform designed to be simple, fast, and secure. Singularity is optimized for EPC and HPC workloads, allowing untrusted users to run untrusted containers in a trusted way. |
| Spack | 0.12.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Development | Spack is a package manager for supercomputers, Linux, and macOS. It makes installing scientific software easy. With Spack, you can build a package with multiple versions, configurations, platforms, and compilers, and all of these builds can coexist on the same machine. |
| Spark | 2.4.3 | 2019b | broadwell, skylake | iris | Development | Spark is Hadoop MapReduce done in memory |
| Stata | 17 | 2020b | broadwell, epyc, skylake | aion, iris | Mathematics | Stata is a complete, integrated statistical software package that provides everything you need for data analysis, data management, and graphics. |
| SuiteSparse | 5.8.1 | 2020b | broadwell, epyc, skylake | aion, iris | Numerical libraries | SuiteSparse is a collection of libraries manipulate sparse matrices. |
| Sumo | 1.3.1 | 2019b | broadwell, skylake | iris | Utilities | Sumo is an open source, highly portable, microscopic and continuous traffic simulation package designed to handle large road networks. |
| Szip | 2.1.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | Szip compression software, providing lossless compression of scientific data |
| Tcl | 8.6.10, 8.6.9 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Programming Languages | Tcl (Tool Command Language) is a very powerful but easy to learn dynamic programming language, suitable for a very wide range of uses, including web and desktop applications, networking, administration, testing and many more. |
| TensorFlow | 1.15.5, 2.1.0, 2.4.1, 2.5.0 | 2019b, 2020b | gpu, broadwell, skylake, epyc | iris, aion | Libraries | An open-source software library for Machine Intelligence |
| Theano | 1.0.4, 1.1.2 | 2019b, 2020b | gpu, broadwell, epyc, skylake | iris, aion | Mathematics | Theano is a Python library that allows you to define, optimize, and evaluate mathematical expressions involving multi-dimensional arrays efficiently. |
| Tk | 8.6.10, 8.6.9 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Visualisation | Tk is an open source, cross-platform widget toolchain that provides a library of basic elements for building a graphical user interface (GUI) in many different programming languages. |
| Tkinter | 3.7.4, 3.8.6 | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Programming Languages | Tkinter module, built with the Python buildsystem |
| TopHat | 2.1.2 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Biology | TopHat is a fast splice junction mapper for RNA-Seq reads. |
| Trinity | 2.10.0 | 2019b | broadwell, skylake | iris | Biology | Trinity represents a novel method for the efficient and robust de novo reconstruction of transcriptomes from RNA-Seq data. Trinity combines three independent software modules: Inchworm, Chrysalis, and Butterfly, applied sequentially to process large volumes of RNA-Seq reads. |
| UCX | 1.9.0 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | Unified Communication X An open-source production grade communication framework for data centric and high-performance applications |
| UDUNITS | 2.2.26 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Physics | UDUNITS supports conversion of unit specifications between formatted and binary forms, arithmetic manipulation of units, and conversion of values between compatible scales of measurement. |
| ULHPC-bd | 2020b | 2020b | broadwell, epyc, skylake | aion, iris | System-level software | Generic Module bundle for BigData Analytics software in use on the UL HPC Facility |
| ULHPC-bio | 2019b, 2020b | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | System-level software | Generic Module bundle for Bioinformatics, biology and biomedical software in use on the UL HPC Facility, especially at LCSB |
| ULHPC-cs | 2019b, 2020b | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | System-level software | Generic Module bundle for Computational science software in use on the UL HPC Facility, including: - Computer Aided Engineering, incl. CFD - Chemistry, Computational Chemistry and Quantum Chemistry - Data management & processing tools - Earth Sciences - Quantum Computing - Physics and physical systems simulations |
| ULHPC-dl | 2019b, 2020b | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | System-level software | Generic Module bundle for (CPU-version) of AI / Deep Learning / Machine Learning software in use on the UL HPC Facility |
| ULHPC-gpu | 2019b, 2020b | 2019b, 2020b | gpu | iris | System-level software | Generic Module bundle for GPU accelerated User Software in use on the UL HPC Facility |
| ULHPC-math | 2019b, 2020b | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | System-level software | Generic Module bundle for High-level mathematical software and Linear Algrebra libraries in use on the UL HPC Facility |
| ULHPC-toolchains | 2019b, 2020b | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | System-level software | Generic Module bundle that contains all the dependencies required to enable toolchains and building tools/programming language in use on the UL HPC Facility |
| ULHPC-tools | 2019b, 2020b | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | System-level software | Misc tools, incl. - perf: Performance tools - tools: General purpose tools |
| UnZip | 6.0 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Utilities | UnZip is an extraction utility for archives compressed in .zip format (also called "zipfiles"). Although highly compatible both with PKWARE's PKZIP and PKUNZIP utilities for MS-DOS and with Info-ZIP's own Zip program, our primary objectives have been portability and non-MSDOS functionality. |
| VASP | 5.4.4, 6.2.1 | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Physics | The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. |
| VMD | 1.9.4a51 | 2020b | broadwell, epyc, skylake | aion, iris | Visualisation | VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. |
| VTK | 8.2.0, 9.0.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | The Visualization Toolkit (VTK) is an open-source, freely available software system for 3D computer graphics, image processing and visualization. VTK consists of a C++ class library and several interpreted interface layers including Tcl/Tk, Java, and Python. VTK supports a wide variety of visualization algorithms including: scalar, vector, tensor, texture, and volumetric methods; and advanced modeling techniques such as: implicit modeling, polygon reduction, mesh smoothing, cutting, contouring, and Delaunay triangulation. |
| VTune | 2019_update8, 2020_update3 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Utilities | Intel VTune Amplifier XE is the premier performance profiler for C, C++, C#, Fortran, Assembly and Java. |
| Valgrind | 3.15.0, 3.16.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Debugging | Valgrind: Debugging and profiling tools |
| VirtualGL | 2.6.2 | 2019b | broadwell, skylake | iris | Visualisation | VirtualGL is an open source toolkit that gives any Linux or Unix remote display software the ability to run OpenGL applications with full hardware acceleration. |
| Voro++ | 0.4.6 | 2019b | broadwell, skylake | iris | Mathematics | 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. |
| Wannier90 | 3.1.0 | 2020b | broadwell, epyc, skylake | aion, iris | Chemistry | A tool for obtaining maximally-localised Wannier functions |
| X11 | 20190717, 20201008 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | The X Window System (X11) is a windowing system for bitmap displays |
| XML-LibXML | 2.0201, 2.0206 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Data processing | Perl binding for libxml2 |
| XZ | 5.2.4, 5.2.5 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | xz: XZ utilities |
| Xerces-C++ | 3.2.2 | 2019b | broadwell, skylake | iris | Libraries | Xerces-C++ is a validating XML parser written in a portable subset of C++. Xerces-C++ makes it easy to give your application the ability to read and write XML data. A shared library is provided for parsing, generating, manipulating, and validating XML documents using the DOM, SAX, and SAX2 APIs. |
| Xvfb | 1.20.9 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Visualisation | Xvfb is an X server that can run on machines with no display hardware and no physical input devices. It emulates a dumb framebuffer using virtual memory. |
| YACS | 0.1.8 | 2020b | broadwell, epyc, skylake | aion, iris | Libraries | YACS was created as a lightweight library to define and manage system configurations, such as those commonly found in software designed for scientific experimentation. These "configurations" typically cover concepts like hyperparameters used in training a machine learning model or configurable model hyperparameters, such as the depth of a convolutional neural network. |
| Yasm | 1.3.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Programming Languages | Yasm: Complete rewrite of the NASM assembler with BSD license |
| Z3 | 4.8.10 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Utilities | Z3 is a theorem prover from Microsoft Research. |
| Zip | 3.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | Zip is a compression and file packaging/archive utility. Although highly compatible both with PKWARE's PKZIP and PKUNZIP utilities for MS-DOS and with Info-ZIP's own UnZip, our primary objectives have been portability and other-than-MSDOS functionality |
| ant | 1.10.6, 1.10.7, 1.10.9 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Development | Apache Ant is a Java library and command-line tool whose mission is to drive processes described in build files as targets and extension points dependent upon each other. The main known usage of Ant is the build of Java applications. |
| archspec | 0.1.0 | 2019b | broadwell, skylake | iris | Utilities | A library for detecting, labeling, and reasoning about microarchitectures |
| arpack-ng | 3.7.0, 3.8.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Numerical libraries | ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems. |
| at-spi2-atk | 2.34.1, 2.38.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | AT-SPI 2 toolkit bridge |
| at-spi2-core | 2.34.0, 2.38.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | Assistive Technology Service Provider Interface. |
| binutils | 2.32, 2.35 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | binutils: GNU binary utilities |
| bokeh | 2.2.3 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Utilities | Statistical and novel interactive HTML plots for Python |
| bzip2 | 1.0.8 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | bzip2 is a freely available, patent free, high-quality data compressor. It typically compresses files to within 10% to 15% of the best available techniques (the PPM family of statistical compressors), whilst being around twice as fast at compression and six times faster at decompression. |
| cURL | 7.66.0, 7.72.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | libcurl is a free and easy-to-use client-side URL transfer library, supporting DICT, FILE, FTP, FTPS, Gopher, HTTP, HTTPS, IMAP, IMAPS, LDAP, LDAPS, POP3, POP3S, RTMP, RTSP, SCP, SFTP, SMTP, SMTPS, Telnet and TFTP. libcurl supports SSL certificates, HTTP POST, HTTP PUT, FTP uploading, HTTP form based upload, proxies, cookies, user+password authentication (Basic, Digest, NTLM, Negotiate, Kerberos), file transfer resume, http proxy tunneling and more. |
| cairo | 1.16.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | Cairo is a 2D graphics library with support for multiple output devices. Currently supported output targets include the X Window System (via both Xlib and XCB), Quartz, Win32, image buffers, PostScript, PDF, and SVG file output. Experimental backends include OpenGL, BeOS, OS/2, and DirectFB |
| cuDNN | 7.6.4.38, 8.0.4.30, 8.0.5.39 | 2019b, 2020b | gpu | iris | Numerical libraries | The NVIDIA CUDA Deep Neural Network library (cuDNN) is a GPU-accelerated library of primitives for deep neural networks. |
| dask | 2021.2.0 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Data processing | Dask natively scales Python. Dask provides advanced parallelism for analytics, enabling performance at scale for the tools you love. |
| double-conversion | 3.1.4, 3.1.5 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | Efficient binary-decimal and decimal-binary conversion routines for IEEE doubles. |
| elfutils | 0.183 | 2020b | gpu | iris | Libraries | The elfutils project provides libraries and tools for ELF files and DWARF data. |
| expat | 2.2.7, 2.2.9 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | Expat is an XML parser library written in C. It is a stream-oriented parser in which an application registers handlers for things the parser might find in the XML document (like start tags) |
| flatbuffers-python | 1.12 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Development | Python Flatbuffers runtime library. |
| flatbuffers | 1.12.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | FlatBuffers: Memory Efficient Serialization Library |
| flex | 2.6.4 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Programming Languages | Flex (Fast Lexical Analyzer) is a tool for generating scanners. A scanner, sometimes called a tokenizer, is a program which recognizes lexical patterns in text. |
| fontconfig | 2.13.1, 2.13.92 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | Fontconfig is a library designed to provide system-wide font configuration, customization and application access. |
| foss | 2019b, 2020b | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Toolchains (software stacks) | GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. |
| fosscuda | 2019b, 2020b | 2019b, 2020b | gpu | iris | Toolchains (software stacks) | GCC based compiler toolchain with CUDA support, and including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. |
| freetype | 2.10.1, 2.10.3 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | FreeType 2 is a software font engine that is designed to be small, efficient, highly customizable, and portable while capable of producing high-quality output (glyph images). It can be used in graphics libraries, display servers, font conversion tools, text image generation tools, and many other products as well. |
| gc | 7.6.12 | 2019b | broadwell, skylake | iris | Libraries | The Boehm-Demers-Weiser conservative garbage collector can be used as a garbage collecting replacement for C malloc or C++ new. |
| gcccuda | 2019b, 2020b | 2019b, 2020b | gpu | iris | Toolchains (software stacks) | GNU Compiler Collection (GCC) based compiler toolchain, along with CUDA toolkit. |
| gettext | 0.19.8.1, 0.20.1, 0.21 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | GNU 'gettext' is an important step for the GNU Translation Project, as it is an asset on which we may build many other steps. This package offers to programmers, translators, and even users, a well integrated set of tools and documentation |
| gflags | 2.2.2 | 2019b | broadwell, skylake | iris | Development | The gflags package contains a C++ library that implements commandline flags processing. It includes built-in support for standard types such as string and the ability to define flags in the source file in which they are used. |
| giflib | 5.2.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | giflib is a library for reading and writing gif images. It is API and ABI compatible with libungif which was in wide use while the LZW compression algorithm was patented. |
| git | 2.23.0, 2.28.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | Git is a free and open source distributed version control system designed to handle everything from small to very large projects with speed and efficiency. |
| glog | 0.4.0 | 2019b | broadwell, skylake | iris | Development | A C++ implementation of the Google logging module. |
| gmsh | 4.4.0 | 2019b | broadwell, skylake | iris | CFD/Finite element modelling | Salome is an open-source software that provides a generic Pre- and Post-Processing platform for numerical simulation. It is based on an open and flexible architecture made of reusable components. |
| gmsh | 4.8.4 | 2020b | broadwell, epyc, skylake | aion, iris | Mathematics | Gmsh is a 3D finite element grid generator with a build-in CAD engine and post-processor. |
| gnuplot | 5.2.8, 5.4.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | Portable interactive, function plotting utility |
| gocryptfs | 1.7.1, 2.0.1 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Utilities | Encrypted overlay filesystem written in Go. gocryptfs uses file-based encryption that is implemented as a mountable FUSE filesystem. Each file in gocryptfs is stored as one corresponding encrypted file on the hard disk. |
| gompi | 2019b, 2020b | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Toolchains (software stacks) | GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support. |
| gompic | 2019b, 2020b | 2019b, 2020b | gpu | iris | Toolchains (software stacks) | GNU Compiler Collection (GCC) based compiler toolchain along with CUDA toolkit, including OpenMPI for MPI support with CUDA features enabled. |
| googletest | 1.10.0 | 2019b | broadwell, skylake | iris | Development | Google's framework for writing C++ tests on a variety of platforms |
| gperf | 3.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | GNU gperf is a perfect hash function generator. For a given list of strings, it produces a hash function and hash table, in form of C or C++ code, for looking up a value depending on the input string. The hash function is perfect, which means that the hash table has no collisions, and the hash table lookup needs a single string comparison only. |
| groff | 1.22.4 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Utilities | Groff (GNU troff) is a typesetting system that reads plain text mixed with formatting commands and produces formatted output. |
| gzip | 1.10 | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Utilities | gzip (GNU zip) is a popular data compression program as a replacement for compress |
| h5py | 2.10.0, 3.1.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Data processing | HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library, version 5. HDF5 is a versatile, mature scientific software library designed for the fast, flexible storage of enormous amounts of data. |
| help2man | 1.47.16, 1.47.4, 1.47.8 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Utilities | help2man produces simple manual pages from the '--help' and '--version' output of other commands. |
| hwloc | 1.11.12, 2.2.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | System-level software | The Portable Hardware Locality (hwloc) software package provides a portable abstraction (across OS, versions, architectures, ...) of the hierarchical topology of modern architectures, including NUMA memory nodes, sockets, shared caches, cores and simultaneous multithreading. It also gathers various system attributes such as cache and memory information as well as the locality of I/O devices such as network interfaces, InfiniBand HCAs or GPUs. It primarily aims at helping applications with gathering information about modern computing hardware so as to exploit it accordingly and efficiently. |
| hypothesis | 4.44.2, 5.41.2, 5.41.5 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | Hypothesis is an advanced testing library for Python. It lets you write tests which are parametrized by a source of examples, and then generates simple and comprehensible examples that make your tests fail. This lets you find more bugs in your code with less work. |
| iccifort | 2019.5.281, 2020.4.304 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Compilers | Intel C, C++ & Fortran compilers |
| iccifortcuda | 2019b, 2020b | 2019b, 2020b | gpu | iris | Toolchains (software stacks) | Intel C, C++ & Fortran compilers with CUDA toolkit |
| iimpi | 2019b, 2020b | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Toolchains (software stacks) | Intel C/C++ and Fortran compilers, alongside Intel MPI. |
| iimpic | 2019b, 2020b | 2019b, 2020b | gpu | iris | Toolchains (software stacks) | Intel C/C++ and Fortran compilers, alongside Intel MPI and CUDA. |
| imkl | 2019.5.281, 2020.4.304 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Numerical libraries | 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. |
| impi | 2018.5.288, 2019.9.304 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | MPI | Intel MPI Library, compatible with MPICH ABI |
| intel | 2019b, 2020b | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Toolchains (software stacks) | Compiler toolchain including Intel compilers, Intel MPI and Intel Math Kernel Library (MKL). |
| intelcuda | 2019b, 2020b | 2019b, 2020b | gpu | iris | Toolchains (software stacks) | Intel Cluster Toolkit Compiler Edition provides Intel C/C++ and Fortran compilers, Intel MPI & Intel MKL, with CUDA toolkit |
| intltool | 0.51.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | intltool is a set of tools to centralize translation of many different file formats using GNU gettext-compatible PO files. |
| itac | 2019.4.036 | 2019b | broadwell, skylake | iris | Utilities | The Intel Trace Collector is a low-overhead tracing library that performs event-based tracing in applications. The Intel Trace Analyzer provides a convenient way to monitor application activities gathered by the Intel Trace Collector through graphical displays. |
| jemalloc | 5.2.1 | 2019b | broadwell, skylake | iris | Libraries | jemalloc is a general purpose malloc(3) implementation that emphasizes fragmentation avoidance and scalable concurrency support. |
| kallisto | 0.46.1 | 2019b | broadwell, skylake | iris | Biology | kallisto is a program for quantifying abundances of transcripts from RNA-Seq data, or more generally of target sequences using high-throughput sequencing reads. |
| kim-api | 2.1.3 | 2019b | broadwell, skylake | iris | Chemistry | Open Knowledgebase of Interatomic Models. KIM is an API and OpenKIM is a collection of interatomic models (potentials) for atomistic simulations. This is a library that can be used by simulation programs to get access to the models in the OpenKIM database. This EasyBuild only installs the API, the models can be installed with the package openkim-models, or the user can install them manually by running kim-api-collections-management install user MODELNAME or kim-api-collections-management install user OpenKIM to install them all. |
| libGLU | 9.0.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | The OpenGL Utility Library (GLU) is a computer graphics library for OpenGL. |
| libarchive | 3.4.3 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Utilities | Multi-format archive and compression library |
| libcerf | 1.13, 1.14 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Mathematics | 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. |
| libctl | 4.0.0 | 2019b | broadwell, skylake | iris | Chemistry | libctl is a free Guile-based library implementing flexible control files for scientific simulations. |
| libdrm | 2.4.102, 2.4.99 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | Direct Rendering Manager runtime library. |
| libepoxy | 1.5.4 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Libraries | Epoxy is a library for handling OpenGL function pointer management for you |
| libevent | 2.1.11, 2.1.12 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Libraries | The libevent API provides a mechanism to execute a callback function when a specific event occurs on a file descriptor or after a timeout has been reached. Furthermore, libevent also support callbacks due to signals or regular timeouts. |
| libffi | 3.2.1, 3.3 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | The libffi library provides a portable, high level programming interface to various calling conventions. This allows a programmer to call any function specified by a call interface description at run-time. |
| libgd | 2.2.5, 2.3.0 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Libraries | GD is an open source code library for the dynamic creation of images by programmers. |
| libgeotiff | 1.5.1, 1.6.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | Library for reading and writing coordinate system information from/to GeoTIFF files |
| libglvnd | 1.2.0, 1.3.2 | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Libraries | libglvnd is a vendor-neutral dispatch layer for arbitrating OpenGL API calls between multiple vendors. |
| libgpuarray | 0.7.6 | 2019b, 2020b | gpu | iris | Libraries | Library to manipulate tensors on the GPU. |
| libiconv | 1.16 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | Libiconv converts from one character encoding to another through Unicode conversion |
| libjpeg-turbo | 2.0.3, 2.0.5 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | libjpeg-turbo is a fork of the original IJG libjpeg which uses SIMD to accelerate baseline JPEG compression and decompression. libjpeg is a library that implements JPEG image encoding, decoding and transcoding. |
| libmatheval | 1.1.11 | 2019b | broadwell, skylake | iris | Libraries | GNU libmatheval is a library (callable from C and Fortran) to parse and evaluate symbolic expressions input as text. |
| libogg | 1.3.4 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | Ogg is a multimedia container format, and the native file and stream format for the Xiph.org multimedia codecs. |
| libpciaccess | 0.14, 0.16 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | System-level software | Generic PCI access library. |
| libpng | 1.6.37 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | libpng is the official PNG reference library |
| libreadline | 8.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | The GNU Readline library provides a set of functions for use by applications that allow users to edit command lines as they are typed in. Both Emacs and vi editing modes are available. The Readline library includes additional functions to maintain a list of previously-entered command lines, to recall and perhaps reedit those lines, and perform csh-like history expansion on previous commands. |
| libsndfile | 1.0.28 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | Libsndfile is a C library for reading and writing files containing sampled sound (such as MS Windows WAV and the Apple/SGI AIFF format) through one standard library interface. |
| libtirpc | 1.3.1 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | Libtirpc is a port of Suns Transport-Independent RPC library to Linux. |
| libtool | 2.4.6 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | GNU libtool is a generic library support script. Libtool hides the complexity of using shared libraries behind a consistent, portable interface. |
| libunistring | 0.9.10 | 2019b | broadwell, skylake | iris | Libraries | This library provides functions for manipulating Unicode strings and for manipulating C strings according to the Unicode standard. |
| libunwind | 1.3.1, 1.4.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | The primary goal of libunwind is to define a portable and efficient C programming interface (API) to determine the call-chain of a program. The API additionally provides the means to manipulate the preserved (callee-saved) state of each call-frame and to resume execution at any point in the call-chain (non-local goto). The API supports both local (same-process) and remote (across-process) operation. As such, the API is useful in a number of applications |
| libvorbis | 1.3.7 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | Ogg Vorbis is a fully open, non-proprietary, patent-and-royalty-free, general-purpose compressed audio format |
| libwebp | 1.1.0 | 2020b | broadwell, epyc, skylake | aion, iris | Libraries | WebP is a modern image format that provides superior lossless and lossy compression for images on the web. Using WebP, webmasters and web developers can create smaller, richer images that make the web faster. |
| libxc | 4.3.4, 5.1.2 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Chemistry | Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals. |
| libxml2 | 2.9.10, 2.9.9 | 2020b, 2019b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | Libxml2 is the XML C parser and toolchain developed for the Gnome project (but usable outside of the Gnome platform). |
| libxslt | 1.1.34 | 2019b | broadwell, skylake | iris | Libraries | Libxslt is the XSLT C library developed for the GNOME project (but usable outside of the Gnome platform). |
| libyaml | 0.2.2, 0.2.5 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | LibYAML is a YAML parser and emitter written in C. |
| lxml | 4.4.2 | 2019b | broadwell, skylake | iris | Libraries | The lxml XML toolkit is a Pythonic binding for the C libraries libxml2 and libxslt. |
| lz4 | 1.9.2 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | LZ4 is lossless compression algorithm, providing compression speed at 400 MB/s per core. It features an extremely fast decoder, with speed in multiple GB/s per core. |
| magma | 2.5.1, 2.5.4 | 2019b, 2020b | gpu | iris | Mathematics | 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. |
| makeinfo | 6.7 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Development | makeinfo is part of the Texinfo project, the official documentation format of the GNU project. |
| matplotlib | 3.1.1, 3.3.3 | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Visualisation | matplotlib is a python 2D plotting library which produces publication quality figures in a variety of hardcopy formats and interactive environments across platforms. matplotlib can be used in python scripts, the python and ipython shell, web application servers, and six graphical user interface toolkits. |
| molmod | 1.4.5 | 2019b | broadwell, skylake | iris | Mathematics | MolMod is a Python library with many compoments that are useful to write molecular modeling programs. |
| ncurses | 6.0, 6.1, 6.2 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | The Ncurses (new curses) library is a free software emulation of curses in System V Release 4.0, and more. It uses Terminfo format, supports pads and color and multiple highlights and forms characters and function-key mapping, and has all the other SYSV-curses enhancements over BSD Curses. |
| netCDF-Fortran | 4.5.2, 4.5.3 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Data processing | NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. |
| netCDF | 4.7.1, 4.7.4 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Data processing | NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. |
| nettle | 3.5.1, 3.6 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | Nettle is a cryptographic library that is designed to fit easily in more or less any context: In crypto toolkits for object-oriented languages (C++, Python, Pike, ...), in applications like LSH or GNUPG, or even in kernel space. |
| networkx | 2.5 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Utilities | NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks. |
| nodejs | 12.19.0 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Programming Languages | Node.js is a platform built on Chrome's JavaScript runtime for easily building fast, scalable network applications. Node.js uses an event-driven, non-blocking I/O model that makes it lightweight and efficient, perfect for data-intensive real-time applications that run across distributed devices. |
| nsync | 1.24.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | nsync is a C library that exports various synchronization primitives, such as mutexes |
| numactl | 2.0.12, 2.0.13 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | The numactl program allows you to run your application program on specific cpu's and memory nodes. It does this by supplying a NUMA memory policy to the operating system before running your program. The libnuma library provides convenient ways for you to add NUMA memory policies into your own program. |
| numba | 0.52.0 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Programming Languages | Numba is an Open Source NumPy-aware optimizing compiler for Python sponsored by Continuum Analytics, Inc. It uses the remarkable LLVM compiler infrastructure to compile Python syntax to machine code. |
| phonopy | 2.2.0 | 2019b | broadwell, skylake | iris | Libraries | Phonopy is an open source package of phonon calculations based on the supercell approach. |
| pixman | 0.38.4, 0.40.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | Pixman is a low-level software library for pixel manipulation, providing features such as image compositing and trapezoid rasterization. Important users of pixman are the cairo graphics library and the X server. |
| pkg-config | 0.29.2 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | pkg-config is a helper tool used when compiling applications and libraries. It helps you insert the correct compiler options on the command line so an application can use gcc -o test test.c pkg-config --libs --cflags glib-2.0 for instance, rather than hard-coding values on where to find glib (or other libraries). |
| pkgconfig | 1.5.1 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | pkgconfig is a Python module to interface with the pkg-config command line tool |
| pocl | 1.4, 1.6 | 2019b, 2020b | gpu | iris | Libraries | Pocl is a portable open source (MIT-licensed) implementation of the OpenCL standard |
| protobuf-python | 3.10.0, 3.14.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | Python Protocol Buffers runtime library. |
| protobuf | 2.5.0, 3.10.0, 3.14.0 | 2019b, 2020b | broadwell, skylake, epyc, gpu | iris, aion | Development | Google Protocol Buffers |
| pybind11 | 2.4.3, 2.6.0 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | pybind11 is a lightweight header-only library that exposes C++ types in Python and vice versa, mainly to create Python bindings of existing C++ code. |
| re2c | 1.2.1, 2.0.3 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Utilities | re2c is a free and open-source lexer generator for C and C++. Its main goal is generating fast lexers: at least as fast as their reasonably optimized hand-coded counterparts. Instead of using traditional table-driven approach, re2c encodes the generated finite state automata directly in the form of conditional jumps and comparisons. |
| scikit-build | 0.11.1 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | Scikit-Build, or skbuild, is an improved build system generator for CPython C/C++/Fortran/Cython extensions. |
| scikit-image | 0.18.1 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Visualisation | scikit-image is a collection of algorithms for image processing. |
| scikit-learn | 0.23.2 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Data processing | Scikit-learn integrates machine learning algorithms in the tightly-knit scientific Python world, building upon numpy, scipy, and matplotlib. As a machine-learning module, it provides versatile tools for data mining and analysis in any field of science and engineering. It strives to be simple and efficient, accessible to everybody, and reusable in various contexts. |
| scipy | 1.4.1 | 2019b | broadwell, skylake, gpu | iris | Mathematics | SciPy is a collection of mathematical algorithms and convenience functions built on the Numpy extension for Python. |
| setuptools | 41.0.1 | 2019b | broadwell, skylake | iris | Development | Easily download, build, install, upgrade, and uninstall Python packages |
| snappy | 1.1.7, 1.1.8 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | Snappy is a compression/decompression library. It does not aim for maximum compression, or compatibility with any other compression library; instead, it aims for very high speeds and reasonable compression. |
| sparsehash | 2.0.3, 2.0.4 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Development | An extremely memory-efficient hash_map implementation. 2 bits/entry overhead! The SparseHash library contains several hash-map implementations, including implementations that optimize for space or speed. |
| spglib-python | 1.16.0 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Chemistry | Spglib for Python. Spglib is a library for finding and handling crystal symmetries written in C. |
| tbb | 2019_U9, 2020.2, 2020.3 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Libraries | Intel(R) Threading Building Blocks (Intel(R) TBB) lets you easily write parallel C++ programs that take full advantage of multicore performance, that are portable, composable and have future-proof scalability. |
| texinfo | 6.7 | 2019b | broadwell, skylake | iris | Development | Texinfo is the official documentation format of the GNU project. |
| tqdm | 4.56.2 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | A fast, extensible progress bar for Python and CLI |
| typing-extensions | 3.7.4.3 | 2019b, 2020b | gpu, broadwell, epyc, skylake | iris, aion | Development | Typing Extensions – Backported and Experimental Type Hints for Python |
| util-linux | 2.34, 2.36 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Utilities | Set of Linux utilities |
| x264 | 20190925, 20201026 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | x264 is a free software library and application for encoding video streams into the H.264/MPEG-4 AVC compression format, and is released under the terms of the GNU GPL. |
| x265 | 3.2, 3.3 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Visualisation | x265 is a free software library and application for encoding video streams into the H.265 AVC compression format, and is released under the terms of the GNU GPL. |
| xorg-macros | 1.19.2 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Development | X.org macros utilities. |
| xprop | 1.2.4, 1.2.5 | 2019b, 2020b | broadwell, skylake, epyc | iris, aion | Visualisation | The xprop utility is for displaying window and font properties in an X server. One window or font is selected using the command line arguments or possibly in the case of a window, by clicking on the desired window. A list of properties is then given, possibly with formatting information. |
| yaff | 1.6.0 | 2019b | broadwell, skylake | iris | Chemistry | Yaff stands for 'Yet another force field'. It is a pythonic force-field code. |
| zlib | 1.2.11 | 2019b, 2020b | broadwell, skylake, gpu, epyc | iris, aion | Libraries | zlib is designed to be a free, general-purpose, legally unencumbered -- that is, not covered by any patents -- lossless data-compression library for use on virtually any computer hardware and operating system. |
| zstd | 1.4.5 | 2020b | broadwell, epyc, skylake, gpu | aion, iris | Libraries | Zstandard is a real-time compression algorithm, providing high compression ratios. It offers a very wide range of compression/speed trade-off, while being backed by a very fast decoder. It also offers a special mode for small data, called dictionary compression, and can create dictionaries from any sample set. |
Last update: December 2, 2024