Paket: gromacs-mpich (2019.1-1)

[ Kaynak: gromacs  ]

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.

Etiketler: Yazılım Geliştirme: C Geliştirme, Kitaplıklar, Alan: Biyoloji, field::chemistry, implemented-in::c, Kullanıcı Arayüzü: Komut Satırı, Rol: role::devel-lib, role::program, Kapsam: Yardımcı Araç, Şununla çalışır: Paketlenmiş Yazılımlar

gromacs-mpich ile İlgili Diğer Paketler

• dep: libc6 (>= 2.27) [amd64, arm64]

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb

  dep: libc6 (>= 2.28) [armhf, i386]

• 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: libgcc1 (>= 1:3.0) [amd64, arm64]

  GCC support library

  dep: libgcc1 (>= 1:3.5) [armhf]

  dep: libgcc1 (>= 1:7) [i386]

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libhwloc5 (>= 1.11.12)

  Hierarchical view of the machine - shared libs

• dep: libmpich12

  Shared libraries for MPICH

• dep: libstdc++6 (>= 5.2) [amd64, i386]

  GNU Standard C++ Library v3

  dep: libstdc++6 (>= 6) [arm64, armhf]

• dep: mpich

  Implementation of the MPI Message Passing Interface standard

• 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

gromacs-mpich indir

Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
amd64	8.050,5 kB	23.268,0 kB	[dosya listesi]
arm64	5.668,8 kB	14.926,0 kB	[dosya listesi]
armhf	3.506,3 kB	8.934,0 kB	[dosya listesi]
i386	6.788,0 kB	22.186,0 kB	[dosya listesi]