Modules for Mist
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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
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| 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.
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| arrow | 4.0.1 | Apache Arrow is a cross-language development platform for in-memory data.
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| autotools | 2021b | GNU autoconf, automake, and libtool
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| boost | 1.76.0 | Boost provides free peer-reviewed portable C++ source libraries, emphasizing libraries that work well with the C++ Standard Library
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| cmake | 3.19.8 3.21.4 | A cross-platform, open-source build system
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| 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.
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| 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
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| cudnn | 7.6.5.32 8.0.5 8.1.1 | NVIDIA cuDNN is a GPU-accelerated library of primitives for deep neural networks
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| dejagnu | 1.6.2 | DejaGnu is a framework for testing other programs
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| expect | 5.45.4 | Expect is a tool for automating interactive applications such as telnet, ftp, passwd, fsck, rlogin, tip, etc.
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| fftw | 3.3.9 | FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
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| flex | 2.6.4 | Flex is a tool for generating scanners.
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| gcc | 8.5.0 9.4.0 10.3.0 11.3.0 | Mist | The GNU Compiler Collection for C, C++, and Fortran
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| 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.
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| git | 2.39.1 | Git is a free and open source distributed version control system.
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| gmp | 6.2.1 | GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating point numbers.
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| 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
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| gsl | 2.7 | The GNU Scientific Library (GSL) is a numerical library for C and C++
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| hdf5 | 1.10.7 | HDF5 | HDF5 is a data model, library, and file format for storing and managing data
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| 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.
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| ibm-java | 11.0.11 | Binary distribution of the IBM Java Software Development Kit for POWER
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| lammps | 2021-09-29 | LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator
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| 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.
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| 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.
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| namd | 2.13 2.14 | NAMD | NAMDis a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.
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| nccl | 2.5.6 2.9.9 2.11.4 | Optimized primitives for collective multi-GPU communication.
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| 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
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| ninja | 1.10.2 | Ninja is a small build system with a focus on speed
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| 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
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| 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.
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| openblas | 0.3.15 | OpenBLAS: An optimized BLAS library
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| openjdk | 11.0.11 | The free and opensource java implementation
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| 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
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| 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.
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| pgplot | 5.2.2 | Graphics subroutine library for C/C++ and Fortran
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| 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
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| rarray | 2.3.0 2.5.1 | Library for runtime multi-dimensional arrays in C++.
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| rust | 1.47.0 1.67.1 | Rust is a systems programming language that runs blazingly fast, prevents segfaults, and guarantees thread safety
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| scalapack | 2.1.0 | The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers.
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| scons | 3.1.2 | SCons is a software construction tool
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| sox | 14.4.2 | ||
| spectrum-mpi | 10.4.0 | IBM MPI implementation from Spectrum MPI.
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| sqlite | 3.35.5 | SQLite3 is an SQL database engine in a C library
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| 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.
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| texinfo | 6.7 | Texinfo is the official documentation format of the GNU project
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| ucx | 1.10.0 1.10.1 1.11.2 | communication library implementing high-performance messaging for MPI/PGAS frameworks
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| valgrind | 3.17.0 | Introduction To Performance | An instrumentation framework for building dynamic analysis
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| 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.
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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
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| eigen | 3.3.9 | Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms
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| essl | 6.2 | The IBM Engineering and Scientific Subroutine Library
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| 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
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| gdb | 9.1 | Performance And Debugging Tools: Niagara | The GNU Project Debugger
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| 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
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| gnuplot | 5.2.7 | Portable interactive, function plotting utility
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| go | 1.13 | Go is an open source programming language that makes it easy to build simple, reliable, and efficient software
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| 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++
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| ibm-java | 8.0.6.5 | Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers
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| julia | 1.6.1 | The Julia Language: A fresh approach to technical computing
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| namd | 2.13 | NAMD | |
| nccl | 2.5.6 | ||
| ninja | 1.9.0 | Ninja is a small build system with a focus on speed
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| 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
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| opencv | 4.5.0 | OpenCV (Open Source Computer Vision Library) is an open source computer vision and machine learning software library
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| 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++
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| 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
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| sox | 14.4.2 | ||
| spectrum-mpi | 10.3.1 | ||
| sqlite | 3.23.0 | SQLite: SQL Database Engine in a C Library
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| subversion | 1.10.7 | Subversion is an open source version control system
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| swig | 4.0.1 | ||
| ucx | 1.8.0 | ||
| unrar | 6.0.6 | Utility used to extract RAR file archives
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| valgrind | 3.15.0 | Introduction To Performance | Valgrind provides debugging and profiling tools
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| 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.
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| xl | 16.1.1.3 |