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
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 (website)
keywords: cfd engineering solver
AVBP avbp A parallel CFD code for reactive unsteady flow simulations on hybrid grids (website, documentation)
keywords: cfd engineering
BIGDFT bigdft BigDFT is a DFT massively parallel electronic structure code using a wavelet basis set. (website)
keywords: chemistry materials-science molecular-dynamics particle-physics plasma-physics quantum
Castep castep BIOVIA Materials Studio CASTEP is an ab initio quantum
keywords: engineering solver materials-science
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
CHARMM charmm Chemistry at HARvard Macromolecular Mechanics (website)
keywords: chemistry materials-science molecular-dynamics molecular-mechanics particle-physics
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
Desmond desmond High-performance molecular dynamics simulations for biomolecular systems (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
ANSYS Fluent fluent Flow modeling simulation software (website)
keywords: cfd engineering solver
Gamess gamess a general ab initio quantum chemistry package (website)
keywords: chemistry materials-science molecular-dynamics particle-physics quantum solver
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
Gromos gromos GROMOS (GROningen MOlecular Simulation) software and force field for molecular dynamics simulation (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
LSDyna lsdyna LS-DYNA is a general-purpose finite element program capable of simulating complex real world problems.
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
MSC Nastran nastran Multidisciplinary Structural Analysis
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
NWChem nwchem High performance computational chemistry software (website)
keywords: chemistry materials-science molecular-dynamics molecular-mechanics particle-physics quantum
OpenFOAM openfoam Open Source suite for field operations and manipulations. (website)
keywords: cfd library solver
openmx openmx OpenMX (Open source package for Material eXplorer) is a software package for nano-scale material simulations based on density functional theories (DFT). (website)
keywords: dft
Qbox qbox Qbox is a C++/MPI scalable parallel implementation of first-principles molecular dynamics (FPMD) based on the plane-wave, pseudopotential formalism. Qbox is designed for operation on large parallel computers (website, documentation)
keywords: chemistry materials-science molecular-dynamics molecular-mechanics particle-physics
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.
keywords: graphic processing visualisation
sassena sassena Sassena is a highly scalable parallelized software for calculating neutron and xray scattering intensities from all-atomic molecular dynamics simulations. (website)
keywords: solver molecular-dynamics
Code_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
STAR-CCM star-ccm STAR-CCM+ is unrivalled in its ability to tackle problems involving multi-physics and complex geometries. (website)
keywords: engineering solver
TRIPOLI tripoli 3D general purpose continuous energy Monte Carlo Transport code
keywords: solver
TRIQS triqs TRIQS (Toolbox for Research on Interacting Quantum Systems)
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 wgrib WGRIB is a program to manipulate, inventory and decode GRIB file (website)
keywords: climate environmental-science
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
WRF wrf-core 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
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

Tools

Name Module(s) Description
Intel Advisor advisor Threading design and prototyping tool for software architects (website)
keywords: development profiler
Allinea-forge allinea-forge C, C++ and F90 profiler and parallel Debugger for high performance and multithreaded Linux applications
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
Bison bison A GNU general-purpose parser generator (website)
keywords: development
Bull Performance Monitor bpmon Bull Performance Monitor (bpmon) is a command line single node performance monitoring tool, which uses the PAPI interface to access the hardware performance events (counters) of most processors.
keywords: profiler
Bazaar bzr Bazaar is a version control system that helps you track project history over time and to collaborate easily with others (website)
keywords: development
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 (CUBE Uniform Behavioral Encoding) is a presentation component suitable for displaying a wide variety of performance data for parallel programs including MPI and OpenOpenMP applications. (website, documentation)
keywords: profiler visualisation
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
DDT ddt DDT (Distributed Debugging Tool), debugger for scalar, multi-threaded and large-scale parallel applications (website, documentation)
keywords: debugger
Dimemas dimemas Dimemas is a performance analysis tool for message-passing programs. It enables the user to develop and tune parallel applications on a workstation, while providing an accurate prediction of their performance on the parallel target machine. (website)
keywords: profiler
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 (website)
keywords: profiler
EZTrace eztrace Parallel profiling software (website)
keywords: profiler
flex flex A tool for creating scanners (text pattern recognizers) (website)
keywords: development mathematics
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
Globus Toolkit globus The Globus Toolkit is an open-source software toolkit used for building grids (website)
keywords: io
GLoST glost Greedly Launcher of Small Tasks (website)
keywords: runtime
GPROF2DOT gprof2dot This is a Python script to convert the output from many profilers into a dot graph.
keywords: profiler
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
Intel Debugger idb Intel Debugger (idb) (website)
keywords: debugger
IgProf igprof the Ignominous Profiler (website)
keywords: profiler
Intel Inspector inspector Memory and thread debugger (website)
keywords: development debugger
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
IPython ipython IPython provides a rich architecture for interactive computing. (website)
keywords: interpreter language
jasper jasper Common jpeg library
keywords: common jpeg library
jchronoss jchronoss Tool used as a validation driving force, for parallel environments
keywords: validation engine
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
LFTP lftp A sophisticated file transfer program (website)
keywords: io
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
malp malp MALP stands for Multi-Application on-Line Profiling. (website)
keywords: profiler
MAP map C, C++ and F90 profiler for high performance and multithreaded Linux applications (website)
keywords: profiler
Maqao maqao Modular Assembly Quality Analyzer and Optimizer. (website)
keywords: profiler
Matlab 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. (website)
keywords: graphic interpreter language mathematics processing visualisation
MELD meld Meld is a visual diff and merge tool targeted at developers (website)
keywords: engineering graphic processing visualisation
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
MPI Analyser mpianalyser Software tool for profiling MPI applications (website)
keywords: profiler
MPlayer mplayer MPlayer
NetCDF-utils netcdf-utils Usual utilitaries build against netcdf-4.3.3.1_hdf5 (nco-1.6.7, cdo-4.4.8, ncview-2.1.4)
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
OpenSpeedShop openspeedshop OpenSpeedShop is an open source multi platform Linux performance tool which is initially targeted to support performance analysis of applications running on both single node and large scale platforms (website)
keywords: profiler
openTURNS openturns openTURNS is scientific library usable as a Python module dedicated to the treatment of uncertainties (website)
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
p7zip p7zip Very high compression ratio file archiver (website)
Padb padb Parallel Application Debugger (website)
PAPI papi Performance Application Programming Interface (website)
keywords: library profiler
Paraver paraver Software Tool for profiling parallel softwares (website)
keywords: profiler
PBZIP2 pbzip2 Parallel implementation of bzip2 (website)
keywords: io processing
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
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
placeme placeme The Placeme API provides a C and a FORTRAN API to pin tasks and threads of MPI, OpenMP, or hybrid MPI+OpenMP applications to particular processors on a wide range of architectures. The focus lies on a reasonable performance of high-performance computing (HPC) applications. (website)
keywords: profiler runtime
Ptools ptools Process management
keywords: development
Python python Python programming language (website, documentation)
keywords: interpreter language
QPROF qprof QProf is a visual tool for developers, which displays the execution profiling output generated by code profilers. (website)
keywords: profiler
Quilt quilt Quilt allows you to easily manage large numbers of patches by keeping track of the changes each patch makes (website)
keywords: development
R r Free software environment for statistical computing and graphics (website)
keywords: interpreter language mathematics visualisation
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
Scilab scilab Scilab is an open source, cross-platform numerical computational package and a high-level, numerically oriented programming language. It can be used for signal processing, statistical analysis, image enhancement, fluid dynamics simulations, numerical optimization, and modeling, simulation of explicit and implicit dynamical systems and (if the corresponding toolbox is installed) symbolic manipulations. (website)
keywords: graphic interpreter language mathematics processing visualisation
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
SIP sip SIP is a tool for automatically generating Python bindings for C and C++ libraries (website)
Subversion subversion Subversion is a concurrent version control system (website)
keywords: development
Subversion subversion Subversion is a concurrent version control system (website)
keywords: development
Subversion subversion Subversion is a concurrent version control system (website)
keywords: development
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
threadspotter threadspotter Thread-oriented memory access analyzer with GUI. (website)
keywords: profiler
Tk Interface eXtension tix Tix, the Tk Interface eXtension, is a powerful set of user interface components that expands the capabilities of your Tcl/Tk and Python applications (website)
keywords: library
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
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
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
VampirTrace vampirtrace VampirTrace is an open source library that allows detailed logging of program execution for parallel applications using message passing (MPI) and threads (OpenMP, Pthreads) (website)
keywords: profiler
vmtouch vmtouch Portable file system cache diagnostics and control (website)
keywords: Virtual Memory Toucher
Intel VTune Amplifier vtune Performance profiler for serial and parallel performance analysis (website, documentation)
keywords: profiler
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
freeglut freeglut A freely licensed alternative to the GLUT library (website)
keywords: engineering graphic processing visualisation
GaussView gaussview GaussView is a Graphical User Interface to Gaussian (website)
keywords: graphic processing solver visualisation
GDL gdl GNU Data Language (GDL) is a free/libre/open source incremental compiler compatible with IDL (website)
keywords: graphic processing visualisation
GhostScript ghostscript An interpreter for the PostScript language and for PDF, and related software and documentation (website)
keywords: graphic processing visualisation
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
Graphite graphite Platform for computer graphics, 3D modeling and numerical geometry (website)
keywords: graphic library processing visualisation
GraphViz graphviz GraphViz toolbox (website)
keywords: graphic library processing visualisation
GTK+ gtk The GIMP ToolKit (GTK+), a library for creating GUIs for X (website)
keywords: graphic library
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)
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
LaTeX2HTML latex2html LaTeX2HTML is a utility that converts LaTeX documents to web pages in HTML. (website)
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
libXaw libxaw X Athena Widget Set (website)
keywords: graphic library processing visualisation
Mesa mesa Mesa libGL/libGLU libraries (website)
keywords: graphic library processing visualisation
MeshLab meshlab Open source, portable, and extensible system for the processing and editing of unstructured 3D triangular meshes
keywords: graphic mesh
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
NetPBM netpbm Toolkit for manipulation of graphic images, including conversion of images between a variety of different formats (website)
keywords: graphic library 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 PyFerret is a Python module wrapping Ferret. The pyferret module provides Python functions so Python users can easily take advantage of the Ferret's abilities to retrieve, manipulate, visualize, and save data. (website)
keywords: graphic visualisation processing
PyQt pyqt PyQt is a set of Python bindings for Qt application framework (website)
keywords: graphic library
Qt qt Cross-platform application and UI development framework (website)
keywords: graphic library
SAGA saga System for Automated Geoscientific Analyses (website)
keywords: graphic materials-science processing visualisation
SWFTools swftools SWFTools is a collection of utilities for working with Adobe Flash files (SWF files) (website)
keywords: graphic
TECPLOT tecplot Visualization software tool (website)
keywords: engineering visualisation
Transfig transfig Set of tools for creating TeX documents with graphics which are portable (website)
keywords: graphic
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
XmGrace xmgrace Grace is a WYSIWYG 2D plotting tool for the X Window System and M*tif. (website)
keywords: graphic processing visualisation

Parallel

Name Module(s) Description
NVIDIA CUDA cuda CUDA (Compute Unified Device Architecture) development tools for NVIDIA GPU (website)
keywords: compiler language
GPI2 gpi2 GPI-2 is an API for the development of scalable, asynchronous and fault tolerant parallel applications. (website)
keywords: io library runtime
HMPP hmpp HMPP (Hybrid Multicore Parallel Programming), a complete hybrid compiler with powerful data-parallel code generators (website)
keywords: compiler language runtime
Intel SPMD Compiler ispc Intel SPMD Program Compiler (ISPC), an open-source compiler for high-performance SIMD programming on the CPU (website)
keywords: compiler language
bullx MPI mpi/bullxmpi (bullxmpi, mpi) bullx MPI is a MPI-2 implementation based Open MPI open source project (website)
keywords: library runtime
MPC mpi/mpc (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
MVAPICH2 mpi/mvapich2 (mvapich2) Open Source MPI-2 MPICH2 over Infiniband implementation (website)
keywords: library runtime
Open MPI mpi/openmpi (openmpi) Open source MPI-2 implementation (website)
keywords: library runtime
Wi4MPI interface to intelmpi/2017.0.2.174 mpi/wi4mpi Wrapper Interface For MPI is a software whose purpose is to translate the ABI (application binary interface) from an MPI implementation A to an another implementation B (B could be equivalent to A)
bullxMPI profile mpiprofile/bullxmpi bullxMPI tunning profile (website)
Intel OpenCL opencl/intel (opencl) The Intel SDK for OpenL Applications (website)
keywords: library runtime
NVIDIA OpenCL opencl/nvidia OpenCL headers for NVIDIA devices. (website)
keywords: library runtime
StarPU starpu StarPU is a task programming library for hybrid architectures (website)
keywords: library runtime

Libraries

Name Module(s) Description
ADIOS adios ADIOS (Adaptable IO System) (website)
keywords: io library
Alps alps Algorithms and Libraries for Physics Simulations (website)
keywords: chemistry library materials-science molecular-dynamics particle-physics quantum
ANN ann ANN is a library written in C++, which supports data structures and algorithms for both exact and approximate nearest neighbor searching in arbitrarily high dimensions. (website)
keywords: library mathematics
Apache Portable Runtime Util apr-util Apache Portable Runtime Util 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
Atlas atlas The ATLAS (Automatically Tuned Linear Algebra Software) project is an ongoing research effort focusing on applying empirical techniques in order to provide portable performance. At present, it provides C and Fortran77 interfaces to a portably efficient BLAS implementation, as well as a few routines from LAPACK. (website)
keywords: library mathematics
MKL BLAS routines blas/mkl (blas) Intel Math Kernel Library BLAS routines
keywords: library mathematics
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.MPI boost-mpi Boost extension for MPI (website)
keywords: library
Boost boost Boost C++ libraries (website)
keywords: library mathematics
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
CLHEP clhep A class library for high energy physics (website)
CLN cln CLN (Class Library for Numbers) is a library for efficient computations with all kinds of numbers in arbitrary precision (website)
keywords: mathematics
CMOR cmor Climate Model Output Rewriter library (website)
keywords: climate environmental-science
CUDPP cudpp CUDPP is the CUDA Data Parallel Primitives Library. CUDPP is a library of data-parallel algorithm primitives such as parallel prefix-sum ('scan'), parallel sort and parallel reduction. Primitives such as these are important building blocks for a wide variety of data-parallel algorithms, including sorting, stream compaction, and building data structures such as trees and summed-area tables. CUDPP runs on processors that support CUDA. (website)
keywords: library
Cwipi cwipi A dynamic parallel code coupler and coupling with parallel interpolation interface (website, documentation)
keywords: coupler
Dyninst dyninst DyninstAPI
ELPA elpa Eigenvalue soLvers for Petaflop Applications (website)
keywords: library
FFTW2 fftw2 Discrete Fourier Transform (website)
keywords: library mathematics
FFTW3 fftw3 Fastest Fourier Transform in the West (website)
keywords: library mathematics
MKL FFTW3 routines fftw3 Intel Math Kernel Library FFTW3 routines
keywords: library mathematics
FFTW3 fftw3/gnu (fftw3) Fastest Fourier Transform in the West (website)
keywords: library mathematics
MKL FFTW3 routines fftw3/mkl Intel Math Kernel Library FFTW3 routines
keywords: library mathematics
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)
GiNaC ginac GiNaC is a C++ library. It is designed to allow the creation of integrated systems that embed symbolic manipulations together with more established areas of computer science (like computation- intense numeric applications, graphical interfaces, etc.) under one roof. (website)
keywords: engineering mathematics
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
GotoBLAS2 gotoblas2 BLAS and LAPACK implementation (website)
keywords: library mathematics
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
MKL LAPACK routines lapack/mkl (lapack) Intel Math Kernel Library LAPACK routines
keywords: library mathematics
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
Lidbwarf libdwarf Libdwarf is a C library intended to simplify reading (and writing) applications using DWARF2, DWARF3. (website)
keywords: library
libedit libedit NetBSD Editline library provides generic line editing, history, and tokenization functions, similar to those found in GNU Readline.
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
libmxml 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
Libunwind libunwind The primary goal of this project is to define a portable and efficient C programming interface (API) to determine the call-chain of a program. (website)
keywords: library
Libxc libxc a library of exchange-correlation functionals for density-functional theory (website)
keywords: library mathematics
MAGMA magma Matrix Algebra on GPU and Multicore Architectures (website)
keywords: library mathematics
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
ml ml ML is the multilevel preconditioning package of Trilinos. (website)
keywords: library mathematics
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
NetCDF-C HDF5 netcdf-c Network Common Data Form (C)
NetCDF Fortran netcdf-fortran Network Common Data Form fortran support lib
NetCDF netcdf Network Common Data Form (website)
keywords: io library
nlopt nlopt NLopt is a free/open-source library for nonlinear optimization, providing a common interface for a number of different free optimization routines available online as well as original implementations of various other algorithms. (website)
keywords: mathematics library
OpenCV opencv Visualization software tool (website)
keywords: graphic library processing visualisation
OpenPALM openpalm A dynamic parallel code coupler and coupling with parallel interpolation interface (website, documentation)
keywords: library coupler
ParMETIS parmetis Parallel Graph Partitioning and Fill-reducing Matrix Ordering (website)
keywords: engineering solver library mathematics
PArpack parpack Parallel ARPACK (PARPACK) and ARPACK (website)
keywords: library mathematics solver
PaSTiX pastix Parallel Sparse Matrix Package (sparse linear solver) (website)
keywords: engineering library mathematics solver
PETSc petsc Portable and extensible toolkit for scientific computation (website)
keywords: engineering library mathematics solver
PLASMA plasma The Parallel Linear Algebra for Scalable Multi-core Architectures (website)
keywords: library mathematics
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
PROJ proj Cartographic Projections library (website)
PtScotch ptscotch Mesh generation library in Parallel (website)
keywords: engineering solver library mathematics
MKL ScaLAPACK routines scalapack/mkl Intel Math Kernel Library ScaLAPACK routines
keywords: library mathematics
Scotch scotch Mesh generation library (website)
keywords: solver engineering library mathematics
Apache HTTP client library serf The serf library is a high performance C-based HTTP client library built upon the Apache Portable Runtime (APR) library. (website)
keywords: apache library
SIONlib sionlib Sionlib is a scalable I/O library for the parallel access to task-local files. (website)
keywords: io library
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
Tapkee tapkee Tapkee is a C++ template library for dimensionality reduction with some bias on spectral methods (website)
keywords: library mathematics
Intel TBB tbb Intel Threading Building Blocks Library (website)
keywords: library runtime

Compilers

Name Module(s) Description
GNU C++ compiler c++/gnu GNU C++ compiler (g++) (website)
keywords: compiler language
Intel C++ compiler c++/intel (c++) 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 (c) 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 (fortran) 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
Intel Compiler Suite intel Intel C (icc), C++ (icpc) and Fortran (ifort) compilers, Debugger (idb) and Math Kernel Library (mkl) (website)
keywords: compiler language
Intel Compiler Suite intel Intel C (icc), C++ (icpc) and Fortran (ifort) compilers and Math Kernel Library (mkl) (website)
keywords: compiler language
OpenJDK java/openjdk Open Java Runtime and Development Kit (website)
keywords: development interpreter language
Oracle JDK java/oracle (java, jdk) Oracle Java Runtime and Development Kit (website)
keywords: development interpreter language
Oracle JDK java/oracle (java, jdk) Oracle Java Runtime and Development Kit (website)
keywords: development interpreter language
Oracle JDK java/oracle (java, jdk) Oracle Java Runtime and Development Kit (website)
keywords: development interpreter language
Oracle JDK java/oracle (java, jdk) 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
NAG Compiler nag NAG Fortran compiler (website)
keywords: library mathematics
PGI Compiler Suite pgi PGI C (pgcc), C++ (pgCC) and Fortran (pgf90) compilers and Debugger (pgdb) (website)
keywords: compiler language

Typographic conventions: