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Пакет: gromacs-mpich (2020.1-1)

Molecular dynamics sim, binaries for MPICH parallelization

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers.

This package contains only the core simulation engine with parallel support using the MPICH (v3) interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.

Другие пакеты, относящиеся к gromacs-mpich

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  • предложения
  • dep: libc6 (>= 2.29)
    GNU C Library: Shared libraries
    также виртуальный пакет, предоставляемый libc6-udeb
  • dep: libfftw3-double3 (>= 3.3.5)
    Library for computing Fast Fourier Transforms - Double precision
  • dep: libfftw3-single3 (>= 3.3.5)
    Library for computing Fast Fourier Transforms - Single precision
  • dep: libgcc-s1 (>= 3.0) [amd64]
    GCC support library
    dep: libgcc-s1 (>= 3.5) [armhf]
  • dep: libgomp1 (>= 4.9)
    GCC OpenMP (GOMP) support library
  • dep: libhwloc15 (>= 2.1.0+dfsg)
    Hierarchical view of the machine - shared libs
  • dep: libmpich12 (>= 3.3.2)
    Shared libraries for MPICH
  • dep: libstdc++6 (>= 5.2) [amd64]
    GNU Standard C++ Library v3
    dep: libstdc++6 (>= 6) [armhf]
  • dep: mpich
    Implementation of the MPI Message Passing Interface standard
  • dep: neon-support [armhf]
    prevent installation on processors without required instructions
  • dep: zlib1g (>= 1:1.2.0)
    compression library - runtime
  • rec: gromacs
    Molecular dynamics simulator, with building and analysis tools
  • sug: gromacs-data
    GROMACS molecular dynamics sim, data and documentation

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amd64 6 660,9 Кб18106 Кб [список файлов]
armhf 3 235,1 Кб8734 Кб [список файлов]