Modules for Mist
Jump to navigation
Jump to search
The printable version is no longer supported and may have rendering errors. Please update your browser bookmarks and please use the default browser print function instead.
MistEnv/2021a
| Module | Version(s) | Documentation | Description |
|---|---|---|---|
| anaconda3 | 2021.05 | Python | Anaconda is a free and open-source distribution of the Python and R programming languages
|
| arm-forge | 22.0.2 | Arm Forge is the complete toolsuite for software development - with everything needed to debug, profile, optimize, edit and build C, C++ and Fortran applications on Linux for high performance - from single threads through to complex parallel HPC codes with MPI, OpenMP, threads or CUDA.
| |
| arrow | 4.0.1 | Apache Arrow is a cross-language development platform for in-memory data.
| |
| autotools | 2021b | GNU autoconf, automake, and libtool
| |
| boost | 1.76.0 | Boost provides free peer-reviewed portable C++ source libraries, emphasizing libraries that work well with the C++ Standard Library
| |
| cmake | 3.19.8 3.21.4 | A cross-platform, open-source build system
| |
| cp2k | 8.2 | 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.
| |
| cuda | 10.2.2 11.0.3 11.2.2 11.4.4 11.6.2 | CUDA is a parallel computing platform and programming model invented by NVIDIA
| |
| cudnn | 7.6.5.32 8.0.5 8.1.1 | NVIDIA cuDNN is a GPU-accelerated library of primitives for deep neural networks
| |
| dejagnu | 1.6.2 | DejaGnu is a framework for testing other programs
| |
| expect | 5.45.4 | Expect is a tool for automating interactive applications such as telnet, ftp, passwd, fsck, rlogin, tip, etc.
| |
| fftw | 3.3.9 | FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
| |
| flex | 2.6.4 | Flex is a tool for generating scanners.
| |
| gcc | 8.5.0 9.4.0 10.3.0 11.3.0 | Mist | The GNU Compiler Collection for C, C++, and Fortran
|
| gdb | 10.2 | Performance And Debugging Tools: Niagara | GDB, the GNU Project debugger, allows you to see what is going on 'inside' another program while it executes -- or what another program was doing at the moment it crashed.
|
| git | 2.39.1 | Git is a free and open source distributed version control system.
| |
| gmp | 6.2.1 | GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating point numbers.
| |
| gromacs | 2019.6 2020.4 2020.6 2021.2 2021.4 2021.5 2022 | GROMACS | GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics package primarily designed for simulations of proteins, lipids and nucleic acids
|
| gsl | 2.7 | The GNU Scientific Library (GSL) is a numerical library for C and C++
| |
| hdf5 | 1.10.7 | HDF5 | HDF5 is a data model, library, and file format for storing and managing data
|
| hip | 4.2 | HIP allows developers to convert CUDA code to portable C++. The same source code can be compiled to run on NVIDIA or AMD GPUs.
| |
| ibm-java | 11.0.11 | Binary distribution of the IBM Java Software Development Kit for POWER
| |
| lammps | 2021-09-29 | LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator
| |
| libint-cp2k | 2.6 | 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.
| |
| libxc | 4.0.5 5.1.5 | 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.
| |
| namd | 2.13 2.14 | NAMD | NAMDis a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.
|
| nccl | 2.5.6 2.9.9 2.11.4 | Optimized primitives for collective multi-GPU communication.
| |
| netcdf | 4.7.4+hdf5-1.10.7 | 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
| |
| ninja | 1.10.2 | Ninja is a small build system with a focus on speed
| |
| nvhpc | 20.7 21.3 | The NVIDIA HPC SDK is a comprehensive suite of compilers, libraries and tools essential to maximizing developer productivity and the performance and portability of HPC applications
| |
| nvtop | 3.0.1 | An (h)top like task monitor for NVIDIA GPUs. It can handle multiple GPUs and print information about them in a htop familiar way.
| |
| openblas | 0.3.15 | OpenBLAS: An optimized BLAS library
| |
| openjdk | 11.0.11 | The free and opensource java implementation
| |
| openmpi | 3.1.5 4.0.5+ucx-1.10.0 4.0.5+ucx-1.10.1 4.0.5 4.1.1+ucx-1.10.0 4.1.1+ucx-1.10.1 4.1.4+ucx-1.11.2 | Mist | An open source Message Passing Interface implementation
|
| opensycl | 0.9.4 | Open SYCL is a modern SYCL implementation targeting CPUs and GPUs from all major vendors that supports many use cases and approaches for implementing SYCL.
| |
| pgplot | 5.2.2 | Graphics subroutine library for C/C++ and Fortran
| |
| pybind11 | 2.6.2 | pybind11 is a lightweight header-only library that exposes C++ types in Python and vice versa, mainly to create Python bindings of existing C++ code
| |
| rarray | 2.3.0 2.5.1 | Library for runtime multi-dimensional arrays in C++.
| |
| rust | 1.47.0 1.67.1 | Rust is a systems programming language that runs blazingly fast, prevents segfaults, and guarantees thread safety
| |
| scalapack | 2.1.0 | The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers.
| |
| scons | 3.1.2 | SCons is a software construction tool
| |
| sox | 14.4.2 | ||
| spectrum-mpi | 10.4.0 | IBM MPI implementation from Spectrum MPI.
| |
| sqlite | 3.35.5 | SQLite3 is an SQL database engine in a C library
| |
| subversion | 1.10.7+sqlite-3.35.5 | ||
| swig | 4.0.2+anaconda3-2021.05 | SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages.
| |
| texinfo | 6.7 | Texinfo is the official documentation format of the GNU project
| |
| ucx | 1.10.0 1.10.1 1.11.2 | communication library implementing high-performance messaging for MPI/PGAS frameworks
| |
| valgrind | 3.17.0 | Introduction To Performance | An instrumentation framework for building dynamic analysis
|
| xl | 16.1.1.10 | IBM XL C/C++/Fortran is an advanced, high-performance compiler that can be used for developing complex, computationally intensive programs, including interlanguage calls with C and Fortran programs.
|
MistEnv/2020a
| Module | Version(s) | Documentation | Description |
|---|---|---|---|
| anaconda3 | 2019.10 | Python | |
| autotools | 2019b | ||
| beagle-lib | 3.1.2 | ||
| boost | 1.73.0 | Boost provides free peer-reviewed portable C++ source libraries
| |
| cmake | 3.16.3 | ||
| cuda | 10.1.243 10.2.89 | ||
| cudnn | 7.6.5.32 | ||
| ddt | 21.0.0 | Parallel Debugging with DDT | DDT debugger and MAP profiler
|
| eigen | 3.3.9 | Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms
| |
| essl | 6.2 | The IBM Engineering and Scientific Subroutine Library
| |
| fftw | 3.3.8 | ||
| gcc | 7.5.0 8.3.0 8.4.0 9.3.0 | Mist | The GNU Compiler Collection for C, C++, and Fortran
|
| gdb | 9.1 | Performance And Debugging Tools: Niagara | The GNU Project Debugger
|
| git | 2.24.1 | ||
| gnu-parallel | 20191122 20200522 | Running Serial Jobs on Niagara | GNU parallel is a shell tool for executing (usually serial) jobs in parallel
|
| gnuplot | 5.2.7 | Portable interactive, function plotting utility
| |
| go | 1.13 | Go is an open source programming language that makes it easy to build simple, reliable, and efficient software
| |
| gromacs | 2019.5 2019.6 2020.4 2021.1 | GROMACS | |
| gsl | 2.5 | The GNU Scientific Library (GSL) is a numerical library for C and C++
| |
| ibm-java | 8.0.6.5 | Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers
| |
| julia | 1.6.1 | The Julia Language: A fresh approach to technical computing
| |
| namd | 2.13 | NAMD | |
| nccl | 2.5.6 | ||
| ninja | 1.9.0 | Ninja is a small build system with a focus on speed
| |
| nvtop | 1.0.0 | ||
| openblas | 0.3.7 0.3.9 | ||
| openblas-threaded | 0.3.9 | OpenBLAS is an optimized BLAS library based on GotoBLAS2 1
| |
| opencv | 4.5.0 | OpenCV (Open Source Computer Vision Library) is an open source computer vision and machine learning software library
| |
| openjpeg | 2.3.1 | ||
| openmpi | 3.1.5 4.0.3 | Mist | |
| pgi | 19.10 | ||
| pgi-openmpi | 3.1.3 | ||
| pybind11 | 2.6.2 | pybind11 is a lightweight header-only library that exposes C++ types in Python and vice versa, mainly to create Python bindings of existing C++ code
| |
| rarray | 2.2.1 | Library for runtime multi-dimensional arrays in C++
| |
| rust | 1.41.0 1.43.0-nightly-2020-02-25 1.47.0 | Rust is a systems programming language that runs blazingly fast, prevents segfaults, and guarantees thread safety
| |
| scons | 3.0.5 | SCons is a software construction tool
| |
| sox | 14.4.2 | ||
| spectrum-mpi | 10.3.1 | ||
| sqlite | 3.23.0 | SQLite: SQL Database Engine in a C Library
| |
| subversion | 1.10.7 | Subversion is an open source version control system
| |
| swig | 4.0.1 | ||
| ucx | 1.8.0 | ||
| unrar | 6.0.6 | Utility used to extract RAR file archives
| |
| valgrind | 3.15.0 | Introduction To Performance | Valgrind provides debugging and profiling tools
|
| vim | 8.2 | Vim is a highly configurable text editor built to make creating and changing any kind of text very efficient. It is included as "vi" with most UNIX systems and with Apple OS X.
| |
| xl | 16.1.1.3 |