Products list

Applications

Applications products list

Name	Description	GPU Support
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
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.
alphafold-db	Alphafold database
alphafold-img	Alphafold container image
alphafold-run	Alphafold wrapper to ease its use
alphafold	AI predicting protein folding structure	✓
aster	Code_Aster is a thermomechanics and analysis of structure package
cantera	Cantera is an open-source suite of tools for problems involving chemical kinetics, thermodynamics, and transport processes.
codee	Codee is a development tool that helps you enhance your code by following the recommendations of the first Open Catalog of Best Practices for Modernization and Optimization
conquest	CONQUEST is a large scale DFT electronic structure code, capable of both diagonalisation and linear scaling, or O(N), calculations. It is developed jointly by NIMS (National Institute for Materials Science, Japan), ISM (Institut des Science Moleculaires, University of Bordeaux) and UCL.
cp2k	CP2K performs atomistic and molecular simulations of solid state, liquid, molecular and biological systems
crest	CREST (abbreviated from Conformer-Rotamer Ensemble Sampling Tool) is a program for the automated exploration of the low-energy molecular chemical space.
cst-studio	high-performance 3D EM analysis software package for designing, analyzing and optimizing electromagnetic (EM) components and systems.
deepmd-kit	DeePMD-kit is a package written in Python/C++, designed to minimize the effort required to build deep learning-based models of interatomic potential energy and force field and to perform molecular dynamics (MD).
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).
fds	Fire Dynamics Simulator
freefem	FreeFem is an implementation of a language dedicated to the finite element method. It enables you to solve Partial Differential Equations (PDE) easily.
galilee-v0-lux
galilee-v0
gate	GATE is a Monte-Carlo simulation toolkit for medical physics applications
geant4	Toolkit for the simulation of the passage of particles through matter
gmt	Generic Mapping Tools
gromacs	GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics simulation package	✓
lammps	LAMMPS is a molecular dynamics code, an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator	✓
ls-prepost	LS-Pre­Post is an ad­vanced pre and post-proces­sor that is de­liv­ered free with LS-DY­NA. The user in­ter­face is de­signed to be both ef­fi­cient and in­tu­itive. LS-Pre­Post runs on Win­dows, Lin­ux, and Macs uti­liz­ing OpenGL graph­ics to achieve fast ren­der­ing and XY plot­ting.
medcoupling	MEDCoupling is a robust and versatile C++/Python library for advanced mesh and field manipulation. It is part of the SALOME platform and co-developed by CEA and EDF.
mpcci	The MpCCI interface software is a vendor neutral solution for co-simulation and file-based data transfer. MpCCI supports a growing number of commercial as well as research simulation tools in different engineering disciplines.
mstar	Build advanced fluid models in minutes, predict real-time dynamics with precision, and solve complex fluid flow problems faster. M-Star is CFD software for the real world.
neptune_cfd	NEPTUNE_CFD is the multiphase-flows solver build upon the code_saturne framework. It can also be embedded in the SALOME platform. It is based on a multi-fluid (Eulerian) approach.
openfoam-plus	OpenFOAM distributed by OpenCFD (Open Source suite for field operations and manipulations).
openfoam	Open Source suite for field operations and manipulations.
particleworks	Simulates liquid behaviors such as water and oil, at high-speed.
permas	PERMAS is a general purpose software system to perform complex calculations in engineering using the finite element method (FEM), and to optimize the analyzed structures and models.
prolb	ProLB is an innovative Computational Fluid Dynamics (CFD) software solution. Based on the Lattice-Boltzmann method, its succesfully-validated solver performs inherently transient simulations of highly complex flows with a competitive turnaround time. ProLB??s accurate aerodynamic and aeroacoustic modeling allows engineers to make early design decisions that optimize and shorten the product development process.
qagate	qAgate is the new Qt interface for agate. It includes all the features of Agate with a new user friendly look. It also includes sommes ‘external’ tools to help some users with fast analysis.
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.
saturne	Code_Saturne is a EDF’s general purpose Computational Fluid Dynamics (CFD) software
siesta	Spanish Initiative for Electronic Simulations with Thousands of Atoms
taitherm	TAITherm® is a 3D thermal simulation software that predicts temperatures using transient or steady-state analysis. It solves for solar and thermal radiation, convection, and conduction, including ever-changing environments.
tetramax	Synopsys TestMAX™ ATPG is Synopsys’ state-of-the-art pattern generation solution that enables design teams to meet their test quality and cost goals with unprecedented speed.
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	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
yambo	Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics.

Compilers

Compilers products list

Name	Description
aocc-compiler	The AOCC compiler system
aocl-libm	The AOCL AMD Math Library
c++/gnu	GNU C++ compiler (g++)
c++/intel	Intel C++ compiler (icpc)
c++/inteloneapi	Intel oneAPI C++ compiler (icpx)
c++/llvm	LLVM C++ compiler (clang++)
c++/nvidia	Nvidia C++ compiler (nvc++)
c++/pgi	PGI C++ compiler (pgCC)
c/gnu	GNU C compiler (gcc)
c/intel	Intel C compiler (icc)
c/inteloneapi	Intel oneAPI C compiler (icx)
c/llvm	LLVM C compiler (clang)
c/nvidia	Nvidia C compiler (nvc)
c/pgi	PGI C compiler (pgcc)
fortran/gnu	GNU Fortran compiler (gfortran)
fortran/intel	Intel Fortran compiler (ifort)
fortran/inteloneapi	Intel oneAPI Fortran compiler (ifx)
fortran/llvm	LLVM Fortran compiler (flang)
fortran/nvidia	Nvidia FORTRAN compiler (nvfortran)
fortran/pgi	PGI Fortran compiler (pgf77/pgf90)
gnu	GNU C (gcc), C++ (g++) and Fortran (gfortran) compilers
intel	Intel C (icc), C++ (icpc) and Fortran (ifort) compilers
inteloneapi	Intel oneAPI C (icx), C++ (icpx), DPC++ (dpcpp) and Fortran (ifx) compilers
java/openjdk	Open Java Runtime and Development Kit
java/oracle	Oracle Java Runtime and Development Kit
llvm	The LLVM Project is a collection of modular and reusable compiler (Clang, Clang++) and toolchain technologies.
nvhpc	Nvidia C (nvc), C++ (nvc++) and Fortran (nvfortran) compilers
rust	A language empowering everyone to build reliable and efficient software.

Graphics

Graphics products list

Name	Description
ensight	Post-processing and Visualization for Scientific Data
ferret	Software for vizualisation and data analysing
ghostscript	An interpreter for the PostScript language and for PDF, and related software and documentation
gnuplot	Gnuplot is a portable command-line driven graphing utility for Linux, OS/2, MS Windows, OSX, VMS, and many other platforms.
grace	Visualization software
hdfview	HDFView is a visual tool for browsing and editing HDF4 and HDF5 files.
idl	IDL is a solution for data analysis, data visualization, and software application development
imagemagick	Toolkit for manipulation of graphic images, including conversion of images between a variety of different formats
libpng	libpng is the official PNG reference library.
mesa	Mesa libGL/libGLU libraries
ncl_ncarg	NCAR Graphics is primarily a graphics package, with some limited data analysis through the Ngmath package.
ncview	Ncview is a visual browser for netCDF format files
paraview	Open source scientific visualization
ploticus	Ploticus is a free GPL software utility that can produce various types of plots and graphs.
qt	Cross-platform application and UI development framework
tecplot	Visualization software tool
visit	VisIt - Visualization Tool
vmd	VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.
vtk	The Visualization Toolkit (VTK) is an open-source, freely available software system for 3D computer graphics, image processing and visualization

Libraries

Libraries products list

Name	Description
adge
amd-fftw	Fastest Fourier Transform in the West
aocl-libmem	AOCL-LibMem is AMD’s optimized implementation of memory/string functions.
aocl-rng	AMD Random Number Generator Library is a pseudorandom number generator library. A pseudo-random number generator (PRNG) produces a stream of variates that are independent and statistically indistinguishable from a random sequence. AMD Random Number Generator Library provides a comprehensive set of statistical distribution functions which are founded on various underlying uniform distribution generators (base generators) including Wichmann-Hill and Mersenne Twister. The library contains five base generators and twenty-three distribution generators. In addition users can supply a custom built generator as the base generator for all of the distribution generators.
aocl-securerng	The AMD Secure Random Number Generator (RNG) is a library that provides APIs to access the cryptographically secure random numbers generated by AMD’s hardware-based random number generator implementation. These are high quality robust random numbers designed to be suitable for cryptographic applications. The library makes use of RDRAND and RDSEED x86 instructions exposed by the AMD hardware. Applications can just link to the library and invoke either a single or a stream of random numbers. The random numbers can be of 16-bit, 32-bit, 64-bit or arbitrary size bytes.
aocl-sparse	AOCL-Sparse contains basic linear algebra subroutines for sparse matrices and vectors optimized for AMD processors. It is designed to be used with C and C++.
aocl	AMD Optimizing CPU Libraries (AOCL)
apr-util	Apache Portable Runtime libraries
apr	Apache Portable Runtime libraries
armadillo	Armadillo is a high quality C++ linear algebra library, aiming towards a good balance between speed and ease of use
blas/aocl	Basic Linear Algebra Subprograms
blas/blis	BLIS is a portable software framework for instantiating high-performance BLAS-like dense linear algebra libraries
blas/mkl	Intel Math Kernel Library BLAS routines
blas/netlib	Netlib Basic Linear Algebra Subprograms
blas/openblas	OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
blis	BLIS is a portable software framework for instantiating high-performance BLAS-like dense linear algebra libraries
blis/aocl	BLIS is a portable software framework for instantiating high-performance BLAS-like dense linear algebra libraries
blitz	Blitz++ provides dense arrays and vectors, random number generators, and small vectors (useful for representing multicomponent or vector fields).
boost	Boost C++ libraries
cgal	CGAL is a software project that provides easy access to efficient and reliable geometric algorithms in the form of a C++ library.
cgns	CFD General Notation System
cudnn	The NVIDIA CUDA Deep Neural Network library (cuDNN) is a GPU-accelerated library of primitives for deep neural networks.
cwipi	A dynamic parallel code coupler and coupling with parallel interpolation interface
czmq	High-level C binding for ZeroMQ
dbcsr	DBCSR is a library designed to efficiently perform sparse matrix-matrix multiplication, among other operations. It is MPI and OpenMP parallel and can exploit Nvidia and AMD GPUs via CUDA and HIP.
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	ecCodes provides an application programming interface and a set of tools for decoding and encoding messages in GRIB format
editline	A small replacement for GNU readline() for UNIX
eigen	Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms
elpa	Eigenvalue soLvers for Petaflop Applications
fftw2	Discrete Fourier Transform
fftw3	Fastest Fourrier Transform in the West
fftw3/aocl	Fastest Fourier Transform in the West
fftw3/mkl	Intel Math Kernel Library FFTW3 routines
fftw3/vanilla	Fastest Fourier Transform in the West
fltk	FLTK is a cross-platform C++ GUI toolkit for UNIX/Linux
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	A Fortran library for XML
gdal	gdal is a translator library for raster geospatial data formats that is released under an X/MIT style
geos	Geometry Engine Open Source
globalarrays	The Global Arrays (GA) toolkit provides an efficient and portable shared-memory programming interface for distributed-memory computers.
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
gmp	GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating-point numbers.
gpm
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.
gsl	GNU Scientific Library (GSL) is a numerical library for C and C++ programmers
h5utils	h5utils is a set of utilities for visualization and conversion of scientific data in the free, portable HDF5 format.
hdf5	Hierarchical Data Format
hypre	Hypre is a library for solving large, sparse linear systems of equations on massively parallel computers
ipp	Intel Integrated Performance Primitives Library
jansson	C library for encoding, decoding and manipulating JSON data
jasper	Common jpeg library
kokkos-kernels	KokkosKernels implements local computational kernels for linear algebra and graph operations, using the Kokkos shared-memory parallel programming model.
kokkos-tools	Performance profiling tools that can be optionally integrated into Kokkos-based applications and libraries.
kokkos	Kokkos Core implements a programming model in C++ for writing performance portable applications targeting all major HPC platforms. Kokkos Core is part of the Kokkos C++ Performance Portability Programming EcoSystem, which also provides math kernels (kokkos-kernels), as well as profiling and debugging tools (kokkos-tools).
lapack/aocl	Linear Algebra PACKage
lapack/mkl	Intel Math Kernel Library LAPACK routines
lapack/netlib	Netlib Linear Algebra PACKage
lapack/openblas	OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
libaec	Libaec provides fast lossless compression of 1 up to 32 bit wide signed or unsigned integers (samples). The library achieves best results for low entropy data as often encountered in space imaging instrument data or numerical model output from weather or climate simulations. While floating point representations are not directly supported, they can also be efficiently coded by grouping exponents and mantissa.
libccc_user	libccc_user allows to access inside a job to information about execution time or memory consumed by the job
libcircle	libcircle is an API for distributing embarrassingly parallel workloads using self-stabilization.
libcss	LibCSS is a CSS parser and selection engine. It aims to parse the forward compatible CSS grammar.
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.
libdom	LibDOM is an implementation of the W3C DOM, written in C.
libflame/aocl	libflame is a portable library for dense matrix computations, providing much of the functionality present in LAPACK, developed by current and former members of the Science of High-Performance Computing (SHPC) group in the Institute for Computational Engineering and Sciences at The University of Texas at Austin. libflame includes a compatibility layer, lapack2flame, which includes a complete LAPACK implementation.
libgd	GD is an open source code library for the dynamic creation of images by programmers.
libhubbub	Hubbub is an HTML5 compliant parsing library, written in C.
libiconv	GNU libiconv is a conversion library for both kinds of applications.
libint	a high-performance library for computing Gaussian integrals in quantum mechanics
libmpc	Mpc is a C library for the arithmetic of complex numbers with arbitrarily high precision and correct rounding of the result.
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
libnag	the NAG Library is a commercially available collection of numerical and statistical algorithms
libparserutils
libpsl	C library to handle the Public Suffix List
libqglviewer	libQGLViewer is a C++ library based on Qt that eases the creation of OpenGL 3D viewers.
libquip	The QUIP package is a collection of software tools to carry out molecular dynamics simulations.
libtar	libtar is a library for manipulating tar files from within C programs.
libtree	libtree is a tool that turns ldd into a tree, explains why shared libraries are found and why not and optionally deploys executables and dependencies into a single directory
libunistring	This library provides functions for manipulating Unicode strings and for manipulating C strings according to the Unicode standard.
libvori	I have implemented our recently developed methods of Voronoi integration as well as the compressed bqb file format into a small C++ library, which is called libvori or Library for Voronoi Integration.
libwapcaplet	LibWapcaplet is a string internment library, written in C. It provides reference counted string interment and rapid string comparison functionality.
libxc	a library of exchange-correlation functionals for density-functional theory
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
loki	Loki is a C++ library of designs, containing flexible implementations of common design patterns and idioms.
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.
magma	Matrix Algebra on GPU and Multicore Architectures
math/nvidia	Nvidia math libraries (like blas)
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.
mesquite	Mesh-Quality Improvement Library
metis	Serial Graph Partitioning and Fill-reducing Matrix Ordering
mkl	Intel Math Kernel Library
mpfr	The MPFR library is a C library for multiple-precision floating-point computations with correct rounding.
mumps	MUltifrontal Massively Parallel Sparse direct Solver
nccl_rdma_sharp_plugin	Optimized primitives for collective multi-GPU communication
netcdf-c	Network Common Data Form (C)
netcdf-cxx4	The netCDF-4 C++ API
netcdf-fortran	Network Common Data Form fortran support lib
netcdf95	Alternate Fortran interface to the NetCDF library
nlopt	Library for nonlinear local and global optimization
nvidia-index	NVIDIA IndeX is a 3D volumetric interactive visualization SDK
openblas	OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
opencv	Visualization software tool
openmolcas	OpenMolcas is a quantum chemistry software package developed by scientists and intended to be used by scientists. It includes programs to apply many different electronic structure methods to chemical systems, but its key feature is the multiconfigurational approach, with methods like CASSCF and CASPT2.
p3dfft	Scalable Framework for Three-Dimensional Fourier Transforms
parmetis	Parallel Graph Partitioning and Fill-reducing Matrix Ordering
parpack	Parallel ARPACK (PARPACK) and ARPACK. ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
pastix	Parallel Sparse Matrix Package (sparse linear solver)
pcl	Portable Coroutine Library
pcre	The PCRE package contains Perl Compatible Regular Expression libraries.
petsc	Portable and extensible toolkit for scientific computation
plumed	An open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines
pmix	Process Management Interface (PMI) is a means of exchanging wireup information needed for interprocess communication. PMI Exascale is an extended version of the PMI standard specifically designed to support clusters up to and including exascale sizes.
pnetcdf	Parallel netCDF (PnetCDF) is an I/O library that supports data access to netCDF files in parallel
proj	Cartographic Projections library
ptscotch	Mesh generation library in Parallel
pytorch	An open source deep learning platform that provides a seamless path from research prototyping to production deployment.
quip	The QUIP package is a collection of software tools to carry out molecular dynamics simulations.
rocr-runtime	The user-mode API interfaces and libraries necessary for host applications to launch compute kernels to available HSA ROCm kernel agents
roct-thunk-interface	The user-mode API interfaces used to interact with the ROCk driver
scalapack/aocl	AOCL Scalable Linear Algebra PACKage
scalapack/mkl	Intel Math Kernel Library ScaLAPACK routines
scalapack/netlib	Netlib Scalable Linear Algebra PACKage
scikit-learn	Simple and efficient tools for predictive data analysis
scotch	Mesh generation library
serf	High performance C-based HTTP client library built upon the Apache Portable Runtime (APR) library
sharp	Mellanox backend for hcoll
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.
slepc	Scalable Library for Eigenvalue Problem computation
speos
suitesparse	a suite of sparse matrix software
sundials	SUite of Nonlinear and DIfferential/ALgebraic equation Solvers
superlu	SuperLU is a general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines
superlu_dist	SuperLU is a general purpose library for the direct solution of large, sparse, nonsymmetric systems of linear equations on high performance machines
tbb	Intel Threading Building Blocks Library
tensorflow	An open-source software library for Machine Intelligence
thrust	Thrust is a parallel algorithms library which resembles the C++ Standard Template Library (STL).
tre
trilinos	The Trilinos Project provides algorithms within an object-oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific problems.
ucx	Mellanox backend for IB
voroplusplus	Voro++ is a software library for carrying out three-dimensional computations of the Voronoi tessellation.
wannier90	Wannier90 is an open-source code (released under GPLv2) for generating maximally-localized Wannier functions and using them to compute advanced electronic properties of materials with high efficiency and accuracy.
wi4pthread	Library developed by TGCC to solve threads placement issues
x264	x264 is a library and application for encoding video streams into the H.264/MPEG-4 AVC compression format
xerces-c	Xerces-C++ is a validating XML parser written in a portable
xz	compression software
yade	Yade is an extensible open-source framework for discrete numerical models, focused on Discrete Element Method.
yaml-cpp	yaml-cpp is a YAML parser and emitter in C++ matching the YAML 1.2 spec.
z3	Z3 is a theorem prover from Microsoft Research
zeromq	ZeroMQ looks like an embeddable networking library but acts like a concurrency framework.
zig	Zig is a general-purpose programming language and toolchain for maintaining robust, optimal and reusable software

Parallel

Parallel products list

Name	Description
cuda	CUDA (Compute Unified Device Architecture) development tools for NVIDIA GPU
hcoll	Mellanox backend for MPI collectives
mpi/intelmpi	Intel MPI Library
mpi/openmpi	Open source MPI-2 implementation
mpi/wi4mpi	Allows to switch to any MPI implementation without recompiling
nccl	Optimized primitives for collective multi-GPU communication

Tools

Tools products list

Name	Description
advisor	Threading design and prototyping tool for software architects
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.
antlr	ANTLR (ANother Tool for Language Recognition) is a powerful parser generator for reading, processing, executing, or translating structured text or binary files
autoconf	Autoconf is an extensible package of M4 macros that produce shell scripts to automatically configure software source code packages.
automake	Automake is a tool for automatically generating Makefile.in files compliant with the GNU Coding Standards.
blender	Blender is the free and open source 3D creation suite.
cdo	CDO (Climate Data Operators) is a collection of command line Operators to manipulate and analyse Climate and NWP model Data.
cmake	Cross-platform, open-source build system
cppunit	Unit testing framework module for the C++ programming language, described as a C++ port of JUnit.
cubegui	cubegui, which is used as performance report explorer for Scalasca and Score-P
cubelib	cubelib, which is used as performance report explorer for Scalasca and Score-P
cubew	Cubew, which is used as performance report explorer for Scalasca and Score-P
curl	curl is used in command lines or scripts to transfer data.
cylc	Cylc is a workflow engine for cycling systems
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.
ddd	GNU DDD (Data Display Debugger), graphical front-end for GDB debugger
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.
doctest	doctest is a new C++ testing framework but is by far the fastest both in compile times (by orders of magnitude) and runtime compared to other feature-rich alternatives.
dotnet-sdk	.NET is the free, open-source, cross-platform framework for building modern apps and powerful cloud services
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.
elinks	ELinks is an advanced and well-established feature-rich text mode web (HTTP/FTP/..) browser.
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.
flux-core	Core services for the Flux resource management framework
flux-sched	Core services for the Flux resource management framework
fypp	Fypp is a Python powered preprocessor. It can be used for any programming languages but its primary aim is to offer a Fortran preprocessor, which helps to extend Fortran with condititional compiling and template metaprogramming capabilities. Instead of introducing its own expression syntax, it uses Python expressions in its preprocessor directives, offering the consistency and versatility of Python when formulating metaprogramming tasks. It puts strong emphasis on robustness and on neat integration into developing toolchains.
gdb	A GNU source-level debugger for C, C++, Java and other languages
geany	Geany is a powerful, stable and lightweight programmer’s text editor that provides tons of useful features without bogging down your workflow.
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
gitlab-runner	GitLab Runner is the open source project that is used to run your jobs and send the results back to GitLab. It is used in conjunction with GitLab CI, the open-source continuous integration service included with GitLab that coordinates the jobs.
glost	Greedly Launcher of Small Tasks
googletest	Google’s framework for writing C++ tests on a variety of platforms
gprof	The GNU Profiler
gprof2dot	This is a Python script to convert the output from many profilers into a dot graph.
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.
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.
igprof	the Ignominous Profiler
inspector	Memory and thread debugger
intltool	intltool is a set of tools to centralize translation of many different file formats using GNU gettext-compatible PO files.
ipm	IPM is a portable profiling infrastructure for parallel codes.
julia	high-level, high-performance dynamic programming language for technical computing
linaro-forge	C, C++ and F90 profiler and parallel Debugger for high performance and multithreaded Linux applications (DDT, MAP…)
makedepf90	Makedepf90 is a program for automatic creation of Makefile-style dependency lists for Fortran source code.
matlab	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.
maven	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.
medea	The MedeA software package is the leading environment for the atomistic simulation of materials
memonit	Memonit is a tool developed by TGCC staff in order to monitor the memory consumption of a job during time
mercurial	Mercurial is a free, distributed source control management tool. It efficiently handles projects of any size and offers an easy and intuitive interface
mmg	Mmg is an open source software for simplicial remeshing.
mono	Cross platform, open source .NET framework
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 is a movie player which runs on many systems
myqlm	myQLM is a quantum software stack for writing, simulating, optimizing, and executing quantum programs.
n2p2	If you have a working neural network potential setup (i.e. a settings file with network and symmetry function parameters, weight files and a scaling file) ready and want to predict energies and forces for a single structure you only need these components:
ncdu	Ncdu is a disk usage analyzer with an ncurses interface.
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
nedit	NEdit is a fast, compact Motif/X11 plain text editor
ninja	A small build system with a focus on speed.
njoy	The NJOY Nuclear Data Processing System is a modular computer code designed to read evaluated data in ENDF format, transform the data in various ways, and output the results as libraries designed to be used in various applications.
nsight-compute	NVIDIA Nsight Compute is an interactive kernel profiler for CUDA applications.
nsight-systems	NVIDIA Nsight Systems is a system-wide performance analysis tool designed to visualize an application’s algorithm
nsight	Nvidia profiler
nvtop	NVTOP stands for Neat Videocard TOP, a (h)top like task monitor for GPUs and accelerators
octave	Octave is a high-level interpreted language, primarily intended for numerical computations
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.
opencascade	Open CASCADE Technology (OCCT) is an object-oriented C++ class library designed for rapid production of sophisticated domain-specific CAD/CAM/CAE applications.
openstack	OpenStack is a set of software components that provide common services for cloud infrastructure.
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
pandoc	Pandoc is a Haskell library for converting from one markup format to another, and a command-line tool that uses this library
papi	Performance Application Programming Interface
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
perl	Perl 5 is a highly capable, feature-rich programming language with over 25 years of development.
pigz	Parallel implementation of gzip
pycharm	The Python IDE for Professional Developers
python3-extension	Python programming language
python3	Python programming language
r	R programming language
readline	The GNU readline library allows users to edit command lines as they are typed in. It can maintain a searchable history of previously entered commands, letting you easily recall, edit and re-enter past commands. It features both Emacs-like and vi-like keybindings, making its usage comfortable for anyone
reframe	ReFrame is a powerful framework for writing system regression tests and benchmarks, specifically targeted to HPC systems.
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.
scalasca	Software tool for measuring and analyzing performances of parallel programs
scons	Open Source software construction tool
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
smokeview	Smokeview is a visualization program that displays the output of fds
sphinx	Create intelligent and beautiful documentation with ease
sqlite	SQLite is a C-language library that implements a small, fast, self-contained, high-reliability, full-featured, SQL database engine.
subversion	Subversion is a concurrent version control system
swift	OpenStack is a set of software components that provide common services for cloud infrastructure.
swig	SWIG is an interface compiler that connects programs written in C and C++ with scripting languages such as Perl, Python, Ruby, and Tcl.
sz	SZ is a modular parametrizable lossy compressor framework for scientific data (floating point and integers). It has applications in simulations, AI and instruments. It is a production quality software and a research platform for lossy compression. SZ is open and transparent. Open because all interested researchers and students can study or contribute to it. Transparent because all performance improvements are detailed in publications. SZ can be used for classic use-cases: visualization, accelerating I/O, reducing memory and storage footprint and more advanced use-cases like compression of DNN models and training sets, acceleration of computation, checkpoint/restart, reducing streaming intensity and running efficiently large problems that cannot fit in memory. Other use-cases will augment this list as users find new opportunities to benefit from lossy compression of scientific data
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
texlive	TeX Live is an easy way to get up and running with the TeX document production system.
themys	ParaView’s branded application
tkcvs	A Tcl/Tk based graphical interface to the CVS and Subversion configuration management systems. Support for Git and RCS too.
totalview	Dynamic source code and memory debugging for C, C++ and Fortran applications.
udunits	The UDUnits package from Unidata is a C-based package for the programatic handling of units of physical quantities.
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 is a sensitivity and uncertainty analysis plateform based on the ROOT framework (http://root.cern.ch) . It is developed at CEA, the French Atomic Energy Commission (http://www.cea.fr).
valgrind	Debugging and memory checking tools
vampir	Profiling tool for parallel programs
vampirserver	Profiling tool for parallel programs
vdt	A collection of fast and inline implementations of mathematical functions
vef	VEF-Prospector is an open-source package for profiling MPI application in order to generate VEF trace-files. The VEF traces can be read by the VEF-TraceLIB to feed any network simulator.
vtune	Performance profiler for serial and parallel performance analysis
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.
xmlto	apply an XSL stylesheet to an XML document
xnedit	A fast and classic X11 text editor, based on NEdit, with full unicode support and antialiased text rendering.