Products are organized using following categories:

Typographic conventions:

Applications

Name Module(s) Description
ABAQUS abaqus ABAQUS is a software suite for finite element analysis and computer-aided engineering (website)
keywords: engineering materials-science
ABINIT abinit 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 (website)
keywords: chemistry materials-science molecular-dynamics particle-physics plasma-physics quantum
AGATE agate Agate is mainly designed to work with the Abinit DFT code. However, it can perfectly read some VASP files and other commonly used format. Agate should help you to visualize in a glance any input file to make sure the structure you're simulating is the one you want.
Amber amber The Amber Molecular Dynamics Package (website, documentation)
keywords: chemistry molecular-dynamics language
ANSYS ansys Flow modeling simulation software (website)
keywords: cfd engineering solver
Code_Aster aster Code_Aster is a thermomechanics and analysis of structure package (website)
keywords: solver
ANSYS Autodyn autodyn ANSYS Autodyn software is a versatile explicit analysis tool for modeling the nonlinear dynamics of solids, fluids, gases and their interactions. (website)
keywords: cfd engineering solver
cantera cantera Cantera is an open-source suite of tools for problems involving chemical kinetics, thermodynamics, and transport processes.
CCP4 ccp4 CCP4 is a program suite for protein crystallography
CP2K cp2k CP2K performs atomistic and molecular simulations of solid state, liquid, molecular and biological systems (website)
keywords: materials-science molecular-dynamics quantum
CPMD cpmd The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics. (website)
keywords: chemistry materials-science molecular-dynamics particle-physics quantum
DLPOLY dl_poly_classic DL_POLY Classic is a general purpose (parallel and serial) molecular dynamics simulation package (website)
keywords: chemistry materials-science molecular-dynamics molecular-mechanics particle-physics
ESPRESSO espresso 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). (website)
keywords: chemistry materials-science molecular-dynamics particle-physics plasma-physics quantum
Fluka fluka FLUKA is a general purpose tool for calculations of particle transport and interactions with matter, covering an extended range of applications spanning from proton and electron accelerator shielding to target design, calorimetry, activation, dosimetry, detector design, Accelerator Driven Systems, cosmic rays, neutrino physics, radiotherapy etc. (website)
keywords: particle-physics
Gaussian gaussian Gaussian is a computational chemistry software package (website)
keywords: chemistry materials-science molecular-dynamics particle-physics quantum solver
Geant geant Toolkit for the simulation of the passage of particles through matter (website)
keywords: astrophysics
GMSH gmsh Gmsh is a 3D finite element grid generator with a build-in CAD engine and post-processor (website)
keywords: cfd engineering mesh processing
GMT gmt Generic Mapping Tools (website)
keywords: processing
Gromacs gromacs GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics simulation package (website)
keywords: chemistry materials-science molecular-dynamics molecular-mechanics particle-physics
LAMMPS lammps LAMMPS is a molecular dynamics code, an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator (website)
keywords: chemistry materials-science molecular-dynamics molecular-mechanics particle-physics plasma-physics
MaterialsStudio materialsstudio Solve key materials and chemical research problems (website)
keywords: engineering solver materials-science
NAMD namd NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems (website)
keywords: chemistry materials-science molecular-dynamics molecular-mechanics particle-physics
NEST is a simulator for spiking neural network nest NEST is a simulator for spiking neural network models that focuses on the dynamics, size and structure of neural systems rather than on the exact morphology of individual neurons
NWChem nwchem High performance computational chemistry software (website)
keywords: chemistry materials-science molecular-dynamics molecular-mechanics particle-physics quantum
openbabel openbabel Chemical toolbox designed to speak the many languages of chemical data
OpenFOAM+ openfoam-plus OpenFOAM distributed by OpenCFD (Open Source suite for field operations and manipulations).
OpenFOAM openfoam Open Source suite for field operations and manipulations. (website)
keywords: cfd library solver
openmm openmm OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code.
polaris polaris POLARIS(MD) is a software package for polarizable molecular dynamics simulations. (website)
PowerAcoustics poweracoustics PowerACOUSTICS - Simulation Software
PowerFlow powerflow Exa's PowerFLOW CFD solution performs simulations that accurately predict real world conditions.
keywords: graphic processing visualisation
Salome salome SALOME is an open-source software that provides a generic platform for Pre- and Post-Processing for numerical simulation. It is based on an open and flexible architecture made of reusable components. (website, documentation)
keywords: graphic processing visualisation
saturne saturne Code_Saturne is a EDF's general purpose Computational Fluid Dynamics (CFD) software (website)
keywords: solver cfd
Schrodinger software suite schrodinger Schrodinger software suite (website)
keywords: chemistry materials-science molecular-dynamics molecular-mechanics particle-physics quantum
SIESTA siesta Spanish Initiative for Electronic Simulations with Thousands of Atoms (website)
keywords: molecular-dynamics quantum
Smilei smilei Smilei is a Particle-In-Cell code for plasma simulation. Open-source, collaborative, user-friendly and designed for high performances on super-computers, it is applied to a wide range of phy sics studies
sparsehash sparsehash An extremely memory-efficient hash_map implementation, with only 2 bits/entry overhead.
STAR-CCM star-ccm STAR-CCM+ is unrivalled in its ability to tackle problems involving multi-physics and complex geometries. (website)
keywords: engineering solver
TURBOMOLE turbomole Program Package for ab initio Electronic Structure Calculations (website)
keywords: chemistry materials-science molecular-dynamics particle-physics quantum
VASP vasp VASP Vienna Ab-initio Simulation Package (website)
keywords: chemistry materials-science molecular-dynamics particle-physics quantum
WGRIB wgrib2 WGRIB is a program to manipulate, inventory and decode GRIB file
WPS wps The Weather Research and Forecasting (WRF) Model is a next-generation mesoscale numerical weather prediction system designed to serve both atmospheric research and operational forecasting needs. WPS is the WRF Preprocessing System.
WRF wrf The Weather Research and Forecasting (WRF) Model is a next-generation mesoscale numerical weather prediction system designed to serve both atmospheric research and operational forecasting needs (website)
keywords: climate environmental-science
XFlow xflow SIMULIA XFlow Software.

Tools

Name Module(s) Description
Intel Advisor advisor Threading design and prototyping tool for software architects (website)
keywords: development profiler
ant ant 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. (website)
keywords: apache java
antlr antlr ANTLR (ANother Tool for Language Recognition) is a powerful parser generator for reading, processing, executing, or translating structured text or binary files
Arm-Forge arm-forge C, C++ and F90 profiler and parallel Debugger for high performance and multithreaded Linux applications (DDT, MAP...)
Autoconf autoconf Autoconf is an extensible package of M4 macros that produce shell scripts to automatically configure software source code packages. (website)
keywords: development
Automake automake Automake is a tool for automatically generating Makefile.in files compliant with the GNU Coding Standards. (website)
keywords: development
Blender blender Blender is the free and open source 3D creation suite.
CDO cdo CDO (Climate Data Operators) is a collection of command line Operators to manipulate and analyse Climate and NWP model Data. (website)
keywords: processing
Cmake cmake Cross-platform, open-source build system (website)
keywords: development
CppUnit cppunit Unit testing framework module for the C++ programming language, described as a C++ port of JUnit. (website)
keywords: development
Cube cube Cube, which is used as performance report explorer for Scalasca and Score-P (website, documentation)
keywords: profiler visualisation
cubegui cubegui cubegui, which is used as performance report explorer for Scalasca and Score-P
cubelib cubelib cubelib, which is used as performance report explorer for Scalasca and Score-P
Cubew cubew Cubew, which is used as performance report explorer for Scalasca and Score-P
cxxtest cxxtest CxxTest is a unit testing framework for C++
DARSHAN darshan Scalable HPC I/O characterization tool designed to capture an accurate picture of application I/O behavior, including properties such as patterns of access within files, with minimum overhead. (website, documentation)
keywords: profiler io
GNU DDD ddd GNU DDD (Data Display Debugger), graphical front-end for GDB debugger (website)
keywords: debugger
Dmtcp dmtcp DMTCP (Distributed MultiThreaded Checkpointing) transparently checkpoints a single-host or distributed computation in user-space -- with no modifications to user code or to the O/S. (website)
keywords: distributed multithreaded checkpointing
Doxygen doxygen Doxygen is the de facto standard tool for generating documentation from annotated C++ sources, but it also supports other popular programming languages such as C, Objective-C, C#, PHP, Java, Python, IDL (Corba and Microsoft flavors), Fortran, VHDL, Tcl, and to some extent D. (website)
keywords: development
ElectricFence electricfence A debugger which detects memory allocation violations (website)
keywords: debugger
Extrae extrae Generate tracefiles which can be analyzed later by Paraver
extrap extrap Extra-P is an automatic performance-modeling tool that supports the user in the identification of scalability bugs.
EZTrace eztrace Parallel profiling software (website)
keywords: profiler
ffmpeg ffmpeg FFmpeg is the leading multimedia framework, able to decode, encode, transcode, mux, demux, stream, filter and play pretty much anything that humans and machines have created.
GDB gdb A GNU source-level debugger for C, C++, Java and other languages (website)
keywords: debugger
Git git 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 (website)
keywords: development
GLoST glost Greedly Launcher of Small Tasks (website)
keywords: runtime
googletest googletest Google's framework for writing C++ tests on a variety of platforms
GPERF gperf 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. (website)
keywords: hash function generator
gprof gprof The GNU Profiler (website)
keywords: profiler
GPROF2DOT gprof2dot This is a Python script to convert the output from many profilers into a dot graph.
keywords: profiler
Guile guile 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.
HPCToolkit hpctoolkit HPCToolkit is an integrated suite of tools for measurement and analysis of program performance on computers ranging from multicore desktop systems to the nation's largest supercomputers. (website)
keywords: profiler
Hwloc hwloc 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. It primarily aims at helping applications with gathering information about modern computing hardware so as to exploit it accordingly and efficiently. (website)
keywords: library runtime
IgProf igprof the Ignominous Profiler (website)
keywords: profiler
Intel Inspector inspector Memory and thread debugger (website)
keywords: development debugger
Intelpython2 intelpython2 Intel Distribution for Python
Intelpython3 intelpython3 Intel Distribution for Python 3
Intel Software Development Emulator intelsde Intel is releasing this Intel SDE so that developers can gain familiarity with our upcoming instruction set extensions. (website)
keywords: development profiler
IPM ipm IPM is a portable profiling infrastructure for parallel codes. (website)
keywords: profiler
Itac itac Intel Trace Analyzer and Collector (website)
keywords: profiler
Julia julia high-level, high-performance dynamic programming language for technical computing (website)
keywords: interpreter language
KCachegrind kcachegrind cachegrind Graphical Front-End (website)
keywords: profiler
LCOV lcov Designed to support Linux kernel coverage measurements
libtool libtool GNU libtool is a generic library support script. Libtool hides the complexity of using shared libraries behind a consistent, portable interface. (website)
keywords: library
Makedepf90 makedepf90 Makedepf90 is a program for automatic creation of Makefile-style dependency lists for Fortran source code.
malp malp MALP stands for Multi-Application on-Line Profiling. It is an online performance tracing tool aiming at overcoming common file-system limitations by relying on runtime coupling between running applications (website)
keywords: profiler
Malt malt Find where you allocate your memory and how, reduce the memory footprint of your applications and limit overhead of memory management.
Maqao maqao Modular Assembly Quality Analyzer and Optimizer. (website)
keywords: profiler
memleax memleax memleax debugs memory leak of a running process by attaching it, without recompiling or restarting. (website)
keywords: debugger
Memonit memonit Memonit is a tool developed by TGCC staff in order to monitor the memory consumption of a job during time
keywords: profiling
Mercurial mercurial Mercurial is a free, distributed source control management tool. It efficiently handles projects of any size and offers an easy and intuitive interface (website)
keywords: development engineering
mmg mmg Mmg is an open source software for simplicial remeshing.
mpifileutils mpifileutils mpiFileUtils provides both a library called libmfu and a suite of MPI-based tools to manage large datasets, which may vary from large directory trees to large files.
MPlayer mplayer MPlayer is a movie player which runs on many systems
NCO nco The netCDF Operators (NCO) comprise command-line programs that take netCDF or HDF files as input, then operate and output the results to screen or files (website)
keywords: processing
Nodejs nodejs 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.
Numaprof numaprof Find where you make remote, local and MCDRAM memory accesses and where you pin the memory by making first touch accesses
Octave octave Octave is a high-level interpreted language, primarily intended for numerical computations (website)
keywords: graphic interpreter language mathematics processing visualisation
Opari2 opari2 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. (website, documentation)
keywords: profiler
opencascade opencascade Open CASCADE Technology (OCCT) is an object-oriented C++ class library designed for rapid production of sophisticated domain-specific CAD/CAM/CAE applications.
OTF otf The Open Trace Format (OTF) is a new trace definition and representation for use with large-scale parallel platforms. OTF addresses three objectives (website)
keywords: profiler
OTF2 otf2 The Open Trace Format 2 is a highly scalable, memory efficient event trace data format plus support library. It will become the new standard trace format for Scalasca, Vampir, and Tau and is open for other tools (documentation)
keywords: profiler
Pandoc pandoc Pandoc is a Haskell library for converting from one markup format to another, and a command-line tool that uses this library (website)
keywords: document converter
PAPI papi Performance Application Programming Interface (website)
keywords: library profiler
paratools paratools TAU Performance System´┐Ż is a portable profiling and tracing toolkit for performance analysis of parallel programs written in Fortran, C, C++, UPC, Java, Python
Paraver paraver Software Tool for profiling parallel softwares (website)
keywords: profiler
PDToolkit pdtoolkit 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
pdwfs pdwfs pdwfs (we like to pronounce it 'padawan-f-s', see below) is a preload library implementing a distributed in-memory filesystem in user space suitable for intercepting bulk I/O workloads typical of HPC simulations.
perfexpert perfexpert An Easy-to-Use Performance Diagnosis Tool for HPC Applications.
Perl perl Perl 5 is a highly capable, feature-rich programming language with over 25 years of development. (website)
keywords: interpreter language
PGI Debugger pgdb PGI Debugger (pgdb) (website)
keywords: debugger
pigz pigz Parallel implementation of gzip (website)
keywords: io processing
Pin pin Pin is a dynamic binary instrumentation framework for the IA-32 and x86-64 instruction-set architectures that enables the creation of dynamic program analysis tools. (website)
keywords: profiler runtime
Python python Python programming language (website, documentation)
keywords: interpreter language
Python 3 python3 Python 3 programming language
QPROF qprof QProf is a visual tool for developers, which displays the execution profiling output generated by code profilers. (website)
keywords: profiler
R r Free software environment for statistical computing and graphics (website)
keywords: interpreter language mathematics visualisation
Redis redis Redis is an open source (BSD licensed), in-memory data structure store, used as a database, cache and message broker.
ROOT root The ROOT system provides a set of OO frameworks with all the functionality needed to handle and analyze large amounts of data in a very efficient way. (website)
keywords: processing
rstudio rstudio RStudio is an integrated development environment (IDE) for R. (website, documentation)
keywords: language development
Ruby ruby 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. (website)
keywords: interpreter language
Scalasca scalasca Software tool for measuring and analyzing performances of parallel programs (website)
keywords: profiler
SCons scons Open Source software construction tool (website)
keywords: development
Score-P scorep the Scalable Performance Measurement Infrastructure for Parallel Codes is a software system that provides a measurement infrastructure for profiling, event trace recording, and online analysis of HPC applications (website)
keywords: library profiler
Subversion subversion Subversion is a concurrent version control system (website)
keywords: development
SWIG swig SWIG is an interface compiler that connects programs written in C and C++ with scripting languages such as Perl, Python, Ruby, and Tcl. (website)
keywords: development library
TAU tau TAU (Tuning and Analysis Utilities) is a portable profiling and tracing toolkit for performance analysis of parallel programs written in Fortran, C, C++, UPC, Java, Python (website)
keywords: library profiler
Tcl tcl 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. (with pthread support) (website)
keywords: interpreter language
TexLive texlive TeX Live is an easy way to get up and running with the TeX document production system. (website)
keywords: tex latex documents interpreter language
Tk tk Tk is a graphical user interface toolkit that takes developing desktop applications to a higher level than conventional approaches. (website)
keywords: interpreter language
torch7 torch7 Torch is a scientific computing framework with wide support for machine learning algorithms that puts GPUs first. It is easy to use and efficient, thanks to an easy and fast scripting language, LuaJIT, and an underlying C/CUDA implementation. (website)
keywords: deeplearning framework
TotalView totalview Dynamic source code and memory debugging for C, C++ and Fortran applications. (website)
keywords: debugger
UDUnits udunits The UDUnits package from Unidata is a C-based package for the programatic handling of units of physical quantities. (website)
keywords: library
AMD uProf uprof AMD uProf is a performance analysis tool for applications. It allows developers to better understand the runtime performance of their application and to identify ways to improve its performance.
URANIE uranie Uranie is a sensitivity and uncertainty analysis plateform based on the ROOT framework (http (website)
keywords: engineering solver
OSSP uuid uuid OSSP uuid is a ISO-C (website)
Valgrind Tools valgrind Debugging and memory checking tools (website)
keywords: profiler debugger
Vampir vampir Profiling tool for parallel programs (website)
keywords: profiler
VampirServer vampirserver Profiling tool for parallel programs (website)
keywords: profiler
Vdt vdt A collection of fast and inline implementations of mathematical functions
virtualenv virtualenv virtualenv is a tool to create isolated Python environments.
Intel VTune Amplifier vtune Performance profiler for serial and parallel performance analysis (website, documentation)
keywords: profiler
xcrysden xcrysden XCrySDen is a crystalline and molecular structure visualisation program aiming at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. (website)
keywords: chemistry graphic processing visualisation
xfig xfig Xfig is a diagramming tool. (website)
keywords: diagramming tool
zsh zsh Zsh is a shell designed for interactive use, although it is also a powerful scripting language. More information can be found on the Zsh Web Pages sites. (website)
keywords: interpreter

Graphics

Name Module(s) Description
EnSight ensight Post-processing and Visualization for Scientific Data (website)
keywords: graphic processing visualisation
Ferret ferret Software for vizualisation and data analysing (website)
keywords: graphic visualisation processing
GaussView gaussview GaussView is a Graphical User Interface to Gaussian (website)
keywords: graphic processing solver visualisation
GhostScript ghostscript An interpreter for the PostScript language and for PDF, and related software and documentation (website)
keywords: graphic processing visualisation
GLFW glfw GLFW is an Open Source, multi-platform library for OpenGL, OpenGL ES and Vulkan application development. It provides a simple, platform-independent API for creating windows, contexts and surfaces, reading input, handling events, etc.
Gnuplot gnuplot Gnuplot is a portable command-line driven graphing utility for Linux, OS/2, MS Windows, OSX, VMS, and many other platforms. (website)
keywords: graphic processing visualisation
Grace grace Visualization software (website)
keywords: graphic processing visualisation
GraphViz graphviz GraphViz toolbox (website)
keywords: graphic library processing visualisation
gts gts GTS stands for the GNU Triangulated Surface Library. It is an Open Source Free Software Library intended to provide a set of useful functions to deal with 3D surfaces meshed with interconnected triangles. (website)
hdfview hdfview HDFView is a visual tool for browsing and editing HDF4 and HDF5 files. (website)
keywords: hdf5 hdf4 java graphic io
IDL idl IDL is a solution for data analysis, data visualization, and software application development (website)
keywords: graphic processing visualisation
imagemagick imagemagick Toolkit for manipulation of graphic images, including conversion of images between a variety of different formats (website)
keywords: graphic processing visualisation
libpng libpng libpng is the official PNG reference library. (website)
keywords: graphic library processing visualisation
libTIFF libtiff Provides support for the Tag Image File Format (TIFF), a widely used format for storing image data. (website)
keywords: graphic library processing visualisation
NCL/NCAR Graphic ncl_ncarg NCAR Graphics is primarily a graphics package, with some limited data analysis through the Ngmath package. (website)
keywords: graphic processing visualisation
Ncview ncview Ncview is a visual browser for netCDF format files (website)
keywords: graphic processing visualisation
Paraview paraview Open source scientific visualization (website)
keywords: graphic processing visualisation
ploticus ploticus Ploticus is a free GPL software utility that can produce various types of plots and graphs. (website)
keywords: graphic processing visualisation
pyferret pyferret Software for vizualisation and data analysing
Qt qt Cross-platform application and UI development framework (website)
keywords: graphic library
TECPLOT tecplot Visualization software tool (website)
keywords: engineering visualisation
VisIt visit VisIt - Visualization Tool (website)
keywords: graphic processing visualisation
VMD vmd VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. (website)
keywords: chemistry materials-science molecular-dynamics molecular-mechanics particle-physics
VTK vtk The Visualization Toolkit (VTK) is an open-source, freely available software system for 3D computer graphics, image processing and visualization (website)
keywords: library visualisation
wxWidgets wxwidgets C++ library that lets developers create applications (website)
keywords: library
WXX11 wxx11 A cross-platform GUI and tools library for GTK, MS Windows, and MacOS. (website)
keywords: library
YAML-CPP yaml-cpp yaml-cpp is a YAML parser and emitter in C++ matching the YAML 1.2 spec.

Parallel

Name Module(s) Description
NVIDIA CUDA cuda CUDA (Compute Unified Device Architecture) development tools for NVIDIA GPU (website)
keywords: compiler language
Intel MPI mpi/intelmpi Intel MPI Library (website, documentation)
keywords: library runtime
Mellanox hcoll hcoll Mellanox backend for MPI collectives
MPC mpi/mpc The MPC (MultiProcessor Computing) framework provides a unified parallel runtime designed to improve the scalability and performances of applications running on clusters of large multiprocessor/multicore NUMA nodes. (website)
keywords: library runtime
Open MPI mpi/openmpi Open source MPI-2 implementation (website)
keywords: library runtime
Wi4MPI mpi/wi4mpi Allows to switch to any MPI implementation without recompiling

Libraries

Name Module(s) Description
2decomp_fft 2decomp_fft a library for large scale distributed FFT computation
AMD FFTW amd-fftw Fastest Fourier Transform in the West
Apache Portable Runtime apr-util Apache Portable Runtime libraries (website)
keywords: apache library
Apache Portable Runtime apr Apache Portable Runtime libraries (website)
keywords: apache library
ARMADILLO armadillo Armadillo is a high quality C++ linear algebra library, aiming towards a good balance between speed and ease of use (website)
keywords: library mathematics
MKL BLAS routines blas/mkl Intel Math Kernel Library BLAS routines
keywords: library mathematics
AMD BLIS blis BLIS is a portable software framework for instantiating high-performance BLAS-like dense linear algebra libraries
Blitz blitz Blitz++ provides dense arrays and vectors, random number generators, and small vectors (useful for representing multicomponent or vector fields). (website)
keywords: library mathematics solver
Boost boost Boost C++ libraries (website)
keywords: library mathematics
cdat cdat Ultrascale Visualization Climate Data Analysis Tools
cgal cgal CGAL is a software project that provides easy access to efficient and reliable geometric algorithms in the form of a C++ library. (website)
keywords: library mathematics
CGNS cgns CFD General Notation System (website)
keywords: solver
CLN cln CLN (Class Library for Numbers) is a library for efficient computations with all kinds of numbers in arbitrary precision (website)
keywords: mathematics
Cwipi cwipi A dynamic parallel code coupler and coupling with parallel interpolation interface (website, documentation)
keywords: coupler
dtcmp dtcmp The Datatype Comparison (DTCMP) Library provides pre-defined and user-defined comparison operations to compare the values of two items which can be arbitrary MPI datatypes.
ecCodes GRIB encoding eccodes ecCodes provides an application programming interface and a set of tools for decoding and encoding messages in GRIB format
Eigen eigen Eigen is a C++ template library for linear algebra (website)
ELPA elpa Eigenvalue soLvers for Petaflop Applications (website)
keywords: library
FFTW2 fftw2 Discrete Fourier Transform (website)
keywords: library mathematics
FFTW3 fftw3/gnu Fastest Fourier Transform in the West (website)
keywords: library mathematics
MKL FFTW3 routines fftw3/mkl Intel Math Kernel Library FFTW3 routines
keywords: library mathematics
fltk fltk FLTK is a cross-platform C++ GUI toolkit for UNIX/Linux (website)
keywords: library tool visualisation
fmt fmt fmt (formerly cppformat) is an open-source formatting library. It can be used as a fast and safe alternative to printf and IOStreams.
fox fox A Fortran library for XML
GDAL gdal gdal is a translator library for raster geospatial data formats that is released under an X/MIT style (website)
keywords: processing
GEOS geos Geometry Engine Open Source (website)
Google Logging Library (glog) glog Google Logging Library (glog) is a library that implements application-level logging. (website)
keywords: google logging library
GNU GLPK glpk The GLPK (GNU Linear Programming Kit) package is intended for solving large-scale linear programming (LP), mixed integer programming (MIP), and other related problems (website)
keywords: mathematics
GMP gmp GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating-point numbers.
Grib grib The ECMWF GRIB API is an application program interface accessible from C and FORTRAN programs developed for encoding and decoding WMO FM-92 GRIB edition 1 and edition 2 messages. (website)
keywords: climate environmental-science
GNU gsl GNU Scientific Library (GSL) is a numerical library for C and C++ programmers (website)
keywords: mathematics
HDF5 hdf5 Hierarchical Data Format (website)
keywords: io library
Hypre hypre Hypre is a library for solving large, sparse linear systems of equations on massively parallel computers (website)
keywords: library solver mathematics
Intel IPP ipp Intel Integrated Performance Primitives Library (website)
keywords: library mathematics
jasper jasper Common jpeg library
MKL LAPACK routines lapack/mkl Intel Math Kernel Library LAPACK routines
keywords: library mathematics
LaTeX2HTML latex2html LaTeX2HTML is a utility that converts LaTeX documents to web pages in HTML. (website)
libccc_user libccc_user libccc_user allows to access inside a job to information about execution time or memory consumed by the job (website)
keywords: library
libcircle libcircle libcircle is an API for distributing embarrassingly parallel workloads using self-stabilization.
libcudacompat libcudacompat We define binary compatibility as a set of guarantees provided by the library, where an application targeting the said library will continue to work when dynamically linked against a different version of the library.
GD Graphics Library libgd GD is an open source code library for the dynamic creation of images by programmers. (website)
keywords: graphics library
Libint libint a high-performance library for computing Gaussian integrals in quantum mechanics (website)
keywords: library mathematics quantum
libmatheval libmatheval library for evaluating symbolic expressions (website)
keywords: library mathematics symbolic expressions
Mini-XML libmxml Mini-XML is a small XML library that you can use to read and write XML and XML-like data files in your application without requiring large non-standard libraries
NAG Library libnag the NAG Library is a commercially available collection of numerical and statistical algorithms (website)
keywords: library mathematics
The Mesa 3D Graphics Library libosmesa Mesa is an open-source implementation of the OpenGL specification - a system for rendering interactive 3D graphics. (website)
keywords: 3d graphics library
Libxc libxc a library of exchange-correlation functionals for density-functional theory (website)
keywords: library mathematics
libxml2 libxml2 XML C parser and toolkit.
Libxsmm libxsmm LIBXSMM is a library for specialized dense and sparse matrix operations as well as for deep learning primitives such as small convolutions targeting Intel Architecture
lwgrp lwgrp The light-weight group library defines data structures and collective operations to group MPI processes as an ordered set. Such groups are useful as substitutes for MPI communicators when the overhead of communicator creation is too costly.
lz4 lz4 Extremely Fast Compression algorithm.
MAGMA magma Matrix Algebra on GPU and Multicore Architectures (website)
keywords: library mathematics
MED med The purpose of the MED module is to provide a standard for storing and recovering computer data associated to numerical meshes and fields, and to facilitate the exchange between codes and solvers. (website)
keywords: cfd engineering mesh processing
MEMKIND memkind User Extensible Heap Manager built on top of jemalloc which enables control of memory characteristics and a partitioning of the heap between kinds of memory.
mesquite mesquite Mesh-Quality Improvement Library
METIS metis Serial Graph Partitioning and Fill-reducing Matrix Ordering (website)
keywords: engineering solver library mathematics
Intel MKL mkl Intel Math Kernel Library (website)
keywords: library mathematics
MKL-ML mkl_ml Intel Math Kernel Library for MKL-DNN
mpfr mpfr The MPFR library is a C library for multiple-precision floating-point computations with correct rounding. (website)
keywords: library mathematics
Mumps mumps MUltifrontal Massively Parallel Sparse direct Solver (website)
keywords: engineering library
nccl nccl Optimized primitives for collective multi-GPU communication (website)
NetCDF-CNetCDF-C HDF5 netcdf-c Network Common Data Form (C)
NetCDF Fortran HDF5 netcdf-fortran Network Common Data Form fortran support lib
nlopt nlopt Library for nonlinear local and global optimization (website)
keywords: mathematics library
OpenBLAS openblas OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version. (website)
keywords: library mathematics
OpenCV opencv Visualization software tool (website)
keywords: graphic library processing visualisation
p3dfft p3dfft Scalable Framework for Three-Dimensional Fourier Transforms
ParMETIS parmetis Parallel Graph Partitioning and Fill-reducing Matrix Ordering (website)
keywords: engineering solver library mathematics
PArpack parpack Parallel ARPACK (PARPACK) and ARPACK. ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems. (website)
keywords: library mathematics solver
PaSTiX pastix Parallel Sparse Matrix Package (sparse linear solver) (website)
keywords: engineering library mathematics solver
pcl pcl Portable Coroutine Library
PETSc petsc Portable and extensible toolkit for scientific computation (website)
keywords: engineering library mathematics solver
Plumed plumed An open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines (website)
keywords: library molecular-dynamics
PNetCDF pnetcdf Parallel netCDF (PnetCDF) is an I/O library that supports data access to netCDF files in parallel (website)
keywords: io library
prng prng Implementations of pseudorandom number generators
PROJ proj Cartographic Projections library (website)
PtScotch ptscotch Mesh generation library in Parallel (website)
keywords: engineering solver library mathematics
pytorch pytorch An open source deep learning platform that provides a seamless path from research prototyping to production deployment.
MKL ScaLAPACK routines targeting <select mpi> scalapack/mkl Intel Math Kernel Library ScaLAPACK routines
keywords: library mathematics
Scotch scotch Mesh generation library (website)
keywords: solver engineering library mathematics
serf serf High performance C-based HTTP client library built upon the Apache Portable Runtime (APR) library (website)
keywords: apache http library
Mellanox backend sharp Mellanox backend for hcoll
Silo silo Silo is a library for reading and writing a wide variety of scientific data to binary, disk files. The files Silo produces and the data within them can be easily shared and exchanged between wholly independently developed applications running on disparate computing platforms. (website)
keywords: library visualisation
SLEPc slepc Scalable Library for Eigenvalue Problem computation (website)
keywords: library mathematics
SuiteSparse suitesparse a suite of sparse matrix software (website)
keywords: library mathematics solver
Sundials sundials SUite of Nonlinear and DIfferential/ALgebraic equation Solvers (website)
keywords: library
SuperLU superlu SuperLU is a general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines
SuperLU_MT superlu_mt Multithreaded version of SuperLU (pthread or OpenMP)
Intel TBB tbb Intel Threading Building Blocks Library (website)
keywords: library runtime
Tensorflow tensorflow An open-source software library for Machine Intelligence (website)
keywords: deeplearning
Mellanox backend ucx Mellanox backend for IB
unuran unuran Collection of algorithms for generating non-uniform pseudorandom
voroplusplus voroplusplus Voro++ is a software library for carrying out three-dimensional computations of the Voronoi tessellation.
WI4PTHREAD wi4pthread Library developed by TGCC to solve threads placement issues on KNL partition
wxpropgrid wxpropgrid wxPropertyGrid is a specialized grid for editing properties such as strings, numbers, flagsets, fonts, and colours.
x264 x264 x264 is a library and application for encoding video streams into the H.264/MPEG-4 AVC compression format
Zoltan zoltan Zoltan

Compilers

Name Module(s) Description
The AOCC compiler system aocc-compiler The AOCC compiler system
The AOCL AMD Math Library aocl-libm The AOCL AMD Math Library
GNU C++ compiler c++/gnu GNU C++ compiler (g++) (website)
keywords: compiler language
Intel C++ Compiler c++/intel Intel C++ compiler (icpc) (website)
keywords: compiler language
LLVM C++ compiler c++/llvm LLVM C++ compiler (clang++)
keywords: compiler language
PGI C++ compiler c++/pgi PGI C++ compiler (pgCC) (website)
keywords: compiler language
GNU C compiler c/gnu GNU C compiler (gcc) (website)
keywords: compiler language
Intel C Compiler c/intel Intel C compiler (icc) (website)
keywords: compiler language
LLVM C compiler c/llvm LLVM C compiler (clang)
keywords: compiler language
PGI C compiler c/pgi PGI C compiler (pgcc) (website)
keywords: compiler language
GNU Fortran compiler fortran/gnu GNU Fortran compiler (gfortran) (website)
keywords: compiler language
Intel Fortran compiler fortran/intel Intel Fortran compiler (ifort) (website)
keywords: compiler language
PGI Fortran compiler fortran/pgi PGI Fortran compiler (pgf77/pgf90) (website)
keywords: compiler language
GNU Compiler Collection gnu GNU C (gcc), C++ (g++) and Fortran (gfortran) compilers (website)
keywords: compiler language
GO go Go is an open source programming language that makes it easy to build simple, reliable, and efficient software.
Intel Compiler Suite intel Intel C (icc), C++ (icpc) and Fortran (ifort) compilers (website)
keywords: compiler language
Oracle JDK java/oracle Oracle Java Runtime and Development Kit (website)
keywords: development interpreter language
LLVM llvm The LLVM Project is a collection of modular and reusable compiler (Clang, Clang++) and toolchain technologies. (website, documentation)
keywords: compiler
LuaJIT luajit a Just-In-Time Compiler for Lua. (website)
keywords: compiler
PGI Compiler Suite pgi PGI C (pgcc), C++ (pgCC) and Fortran (pgf90) compilers and Debugger (pgdb) (website)
keywords: compiler language
Protocol buffers (protobuf) protobuf Protocol buffers are a language-neutral, platform-neutral extensible mechanism for serializing structured data. (website)
rose rose ROSE is a library that makes it easy to build a wide range of tools from optimizing source-to-source compilers to special purpose analysis tools.
Yasm yasm Yasm is a complete rewrite of the NASM assembler under BSD License.

Typographic conventions: