Modules specific to Niagara
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| Module | Versions | Documentation | Description |
|---|---|---|---|
| anaconda2 | 5.1.0 | Description: Built to complement the rich, open source Python community, the Anaconda platform provides an enterprise-ready data analytics platform that empowers companies to adopt a modern open data science analytics architecture. Homepage: https://www.continuum.io/anaconda-overview | |
| anaconda3 | 5.1.0 | Description: Built to complement the rich, open source Python community, the Anaconda platform provides an enterprise-ready data analytics platform that empowers companies to adopt a modern open data science analytics architecture. Homepage: https://www.continuum.io/anaconda-overview | |
| arpack-ng | 3.5.0 | Description: Homepage: | |
| autotools | 2017 | Description: This bundle collect the standard GNU build tools: Autoconf, Automake and libtool Homepage: http://autotools.io | |
| bazel | 0.11.1 | Description: Bazel is a build tool that builds code quickly and reliably. It is used to build the majority of Google's software. Homepage: http://bazel.io/ | |
| boost | 1.63.0 1.66.0 1.67.0 | Description: Boost provides free peer-reviewed portable C++ source libraries. Homepage: http://www.boost.org/ | |
| boost-mpi | 1.67.0 | Description: Boost provides free peer-reviewed portable C++ source libraries. Homepage: http://www.boost.org/ | |
| cfitsio | 3.430 | Description: CFITSIO is a library of C and Fortran subroutines for reading and writing data files in FITS (Flexible Image Transport System) data format. Homepage: http://heasarc.gsfc.nasa.gov/fitsio/ | |
| cmake | 3.10.3 3.11.0 3.11.1 | Description: CMake, the cross-platform, open-source build system. CMake is a family of tools designed to build, test and package software. Homepage: http://www.cmake.org | |
| cp2k | 5.1 | Description: CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. Homepage: http://www.cp2k.org/ | |
| dakota-mpi | 6.7.0 | Description: Homepage: | |
| ddt | 18.1.2 | Description: ARM's HPC development tools: Distributed Debugging Tool and MAP Profiler Homepage: https://www.arm.com/products/development-tools/hpc-tools/cross-platform/forge | |
| eigen | 3.3.4 | Description: Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms. Homepage: http://eigen.tuxfamily.org/index.php?title=Main_Page | |
| elpa | 2016.05.003 | ||
| fetk | 1.5 | Description: Homepage: | |
| ffmpeg | 3.4.2 | Description: A complete, cross-platform solution to record, convert and stream audio and video. Homepage: https://www.ffmpeg.org/ | |
| fftw | 3.3.7 | Description: FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data. Homepage: http://www.fftw.org | |
| fftw-mpi | 3.3.7 | Description: FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data. Homepage: http://www.fftw.org | |
| fmt | 3.0.2 4.1.0 | Description: fmt (formerly cppformat) is an open-source formatting library. Homepage: http://fmtlib.net/ | |
| gc | 7.6.6 | Description: The Boehm-Demers-Weiser conservative garbage collector can be used as a garbage collecting replacement for C malloc or C++ new. Homepage: http://hboehm.info/gc/ | |
| gcc | 7.3.0 | Description: The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada, as well as libraries for these languages (libstdc++, libgcj,...). Homepage: http://gcc.gnu.org/ | |
| gdb | 8.1 | ||
| git | 2.16.3 | Description: 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. Homepage: http://git-scm.com/ | |
| g_mmpbsa | 5.1.2 | Description: Homepage: | |
| gmp | 6.1.2 | Description: GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating point numbers. Homepage: http://gmplib.org/ | |
| gnu-parallel | 20180322 | Description: Tools for running commands in parallel on one or more nodes. Homepage: https://www.gnu.org/software/parallel/ | |
| gnuplot | 5.2.2 | Description: Portable interactive, function plotting utility Homepage: http://gnuplot.sourceforge.net/ | |
| googletest | 1.8.0 | Description: Welcome to Google Test, Google-s C++ test framework! Please see the project page for more information as well as the mailing list for questions, discussions, and development. There is also an IRC channel on OFTC. Getting started information for Google Test is available in the Google Test Primer documentation. Google Mock is an extension to Google Test for writing and using C++ mock classes. See the separate Google Mock documentation. More detailed documentation for googletest (including build instructions) are in its interior googletest/README.md file. Homepage: https://github.com/google/googletest | |
| gromacs | 2016.5 | Description: GROMACS is a versatile package to perform molecular dynamics. i.e. simulating the Newtonian equations of motion for systems with hundreds to millions of particles. - CC-Wiki: GROMACS Homepage: http://www.gromacs.org | |
| gsl | 2.4 | Description: The GNU Scientific Library (GSL) is a numerical library for C and C++ programmers. The library provides a wide range of mathematical routines such as random number generators, special functions and least-squares fitting. Homepage: http://www.gnu.org/software/gsl/ | |
| guile | 2.0.11 2.2.3 | Description: Guile is the GNU Ubiquitous Intelligent Language for Extensions, the official extension language for the GNU operating system. Homepage: http://www.gnu.org/software/guile | |
| harminv | 1.4.1 | Description: Harminv is a free program (and accompanying library) to solve the problem of harmonic inversion - given a discrete-time, finite-length signal that consists of a sum of finitely-many sinusoids (possibly exponentially decaying) in a given bandwidth, it determines the frequencies, decay constants, amplitudes, and phases of those sinusoids. Homepage: http://ab-initio.mit.edu/wiki/index.php/Harminv | |
| hdf5 | 1.10.2 1.8.20 | Description: HDF5 is a data model, library, and file format for storing and managing data. It supports an unlimited variety of datatypes, and is designed for flexible and efficient I/O and for high volume and complex data. Homepage: https://support.hdfgroup.org/HDF5/ | |
| hdf5-mpi | 1.10.2 1.8.20 | Description: HDF5 is a data model, library, and file format for storing and managing data. It supports an unlimited variety of datatypes, and is designed for flexible and efficient I/O and for high volume and complex data. Homepage: https://support.hdfgroup.org/HDF5/ | |
| intel | 2017.7 2018.2 | Description: Compiler toolchain including Intel compilers and Intel Math Kernel Library (MKL). Homepage: https://software.intel.com/en-us/intel-parallel-studio-xe | |
| intelmpi | 2017.7 2018.2 | Description: Intel's (MPICH-based) MPI implementation. Homepage: https://software.intel.com/en-us/intel-parallel-studio-xe | |
| intelpython2 | 2018.2 | Description: Homepage: | |
| intelpython3 | 2018.2 | Description: Homepage: | |
| java | 1.8.0_162 | Description: Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers. Homepage: http://java.com/ | |
| libatomic_ops | 7.6.4 | Description: Homepage: | |
| libctl | 4.0.1 | Description: libctl is a free Guile-based library implementing flexible control files for scientific simulations. Homepage: http://ab-initio.mit.edu/libctl | |
| libffi | 3.2.1 | Description: The libffi library provides a portable, high level programming interface to various calling conventions. This allows a programmer to call any function specified by a call interface description at run-time. Homepage: http://sourceware.org/libffi/ | |
| libint | 1.1.5 | Description: Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory. Homepage: https://github.com/evaleev/libint | |
| libtool | 2.4.6 | Description: GNU libtool is a generic library support script. Libtool hides the complexity of using shared libraries behind a consistent, portable interface. Homepage: http://www.gnu.org/software/libtool | |
| libunistring | 0.9.9 | Description: This library provides functions for manipulating Unicode strings and for manipulating C strings according to the Unicode standard. Homepage: http://www.gnu.org/software/libunistring/ | |
| libxc | 3.0.0 | Description: Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals. Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc | |
| libxslt | 1.1.32 | Description: Libxslt is the XSLT C library developed for the GNOME project (but usable outside of the Gnome platform). Homepage: http://xmlsoft.org/ | |
| libyaml | 0.1.7 | Description: LibYAML is a YAML 1.1 parser and emitter written in C. Homepage: http://pyyaml.org/wiki/LibYAML | |
| meep | 1.4.3 | Description: Meep (or MEEP) is a free finite-difference time-domain (FDTD) simulation software package developed at MIT to model electromagnetic systems. Homepage: http://ab-initio.mit.edu/wiki/index.php/Meep | |
| metis | 5.1.0 | Description: METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes, and producing fill reducing orderings for sparse matrices. The algorithms implemented in METIS are based on the multilevel recursive-bisection, multilevel k-way, and multi-constraint partitioning schemes. Homepage: http://glaros.dtc.umn.edu/gkhome/metis/metis/overview | |
| mkl | 2017.7 2018.2 2018.2.lua | Description: Intel's Math Kernel Library, for use with gcc modules (the intel modules include mkl already). Homepage: http://software.intel.com/en-us/intel-mkl/ | |
| mpb | 1.6.2 | Description: Homepage: | |
| mpfr | 4.0.1 | Description: The MPFR library is a C library for multiple-precision floating-point computations with correct rounding. Homepage: http://www.mpfr.org | |
| ncl | 6.4.0 | Description: NCL is an interpreted language designed specifically for scientific data analysis and visualization. Homepage: http://www.ncl.ucar.edu | |
| netcdf | 1.9.0 4.6.1 | Description: NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. Homepage: http://www.unidata.ucar.edu/software/netcdf/ | |
| netcdf-mpi | 4.6.1 | Description: NetCDF (network Common Data Form) is a set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data. Homepage: http://www.unidata.ucar.edu/software/netcdf/ | |
| octave | 4.4.0 | Description: GNU Octave is a high-level interpreted language, primarily intended for numerical computations. Homepage: http://www.gnu.org/software/octave/ | |
| openblas | 0.2.20 | Description: OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version. Homepage: http://xianyi.github.com/OpenBLAS/ | |
| openmpi | 2.1.3 3.0.1 3.1.0rc3 3.1.0rc4 | Description: The Open MPI Project is an open source MPI-2 implementation. Homepage: http://www.open-mpi.org/ | |
| paraview | 5.5.0 | ||
| perl | 5.20.3 5.26.1 | ||
| petsc | 3.8.4 3.8.4-debug | Description: PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations. Homepage: http://www.mcs.anl.gov/petsc | |
| pgplot | 5.2.2 | Description: The PGPLOT Graphics Subroutine Library is a Fortran- or C-callable, device-independent graphics package for making simple scientific graphs. It is intended for making graphical images of publication quality with minimum effort on the part of the user. For most applications, the program can be device-independent, and the output can be directed to the appropriate device at run time. Homepage: http://www.astro.caltech.edu/~tjp/pgplot/ | |
| plink | 1.07 | Description: plink-1.9-x86_64: Whole-genome association analysis toolset Homepage: https://www.cog-genomics.org/plink/1.9/ | |
| plumed | 2.4.1 | Description: PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes. Homepage: http://www.plumed-code.org | |
| pnetcdf | 1.9.0 | Description: Parallel netCDF: A Parallel I/O Library for NetCDF File Access Homepage: https://trac.mcs.anl.gov/projects/parallel-netcdf | |
| python | 2.7.14 3.6.5 | Description: Python is a programming language that lets you work more quickly and integrate your systems more effectively. Homepage: http://python.org/ | |
| rsync | 3.1.3 | Description: Utility that provides fast incremental file transfer; this module provides a newer version than is present in the operating system. Homepage: https://rsync.samba.org/ | |
| scons | 3.0.1 | ||
| spglib | 1.10.3 | Description: Spglib is a C library for finding and handling crystal symmetries. Homepage: http://spglib.sourceforge.net/ | |
| sqlite | 3.23.0 | ||
| subversion | 1.9.7 | Description: Subversion is an open source version control system. Homepage: http://subversion.apache.org/ | |
| sundials | 2.6.0 2.7.0 3.1.0 | Description: SUNDIALS: SUite of Nonlinear and DIfferential/ALgebraic Equation Solvers Homepage: http://computation.llnl.gov/projects/sundials | |
| sundials-mpi | 3.1.0 | Description: SUNDIALS: SUite of Nonlinear and DIfferential/ALgebraic Equation Solvers Homepage: http://computation.llnl.gov/projects/sundials | |
| swig | 3.0.12 | Description: SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages. Homepage: http://www.swig.org/ | |
| trilinos | 12.12.1 | Description: The Trilinos Project is an effort to develop algorithms and enabling technologies within an object-oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific problems. A unique design feature of Trilinos is its focus on packages. Homepage: http://trilinos.sandia.gov/ | |
| valgrind | 3.13.0 | ||
| visit | 2.13.1 | Description: VisIt is an Open Source, interactive, scalable, visualization, animation and analysis tool. Homepage: https://wci.llnl.gov/simulation/computer-codes/visit | |
| vmd | 1.9.4a12 | Description: VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. Homepage: http://www.ks.uiuc.edu/Research/vmd |