Products list
Applications
| 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 | AI predicting protein folding structure | ✓ |
| 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 | |
| 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. | |
| 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. | |
| openfoam-plus | OpenFOAM distributed by OpenCFD (Open Source suite for field operations and manipulations). | |
| openfoam | Open Source suite for field operations and manipulations. | |
| 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 | |
| stack | Stack is a program for developing Haskell projects | |
| 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
| 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 |
Graphics
| 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 |
| gxsview | Gxsview is a stand-alone multi-platform integrated tool to visualize input data of Monte Carlo radiation transport calculation code, MCNP5, and PHITS3. It consists of 3D, 2D, cross-section, and input file viewers. Also, this software is capable of exporting in 2D(png, jpg, and xpm) or 3D(stl, vtk, vtp and ply) formats. |
| 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
| 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 |
| 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. |
| 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. |
| 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. |
| 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. |
| 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 |
| 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 |
| 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. |
| 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) |
| 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. |
| 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 |
| 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. |
| 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). |
| 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
| 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
| 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 |
| 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. |
| 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. |
| 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. |
| 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-annex | Git-annex is a distributed file synchronization system |
| 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. |
| itac | Intel Trace Analyzer and Collector |
| 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. |
| 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 |
| minio | Minio S3 |
| miniocli | Minio Client command tool |
| 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. |
| 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. |
| 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 |
| 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 |