Pakket: gromacs-mpich (2020.6-2)

[ Bron: 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.

Tags: Softwareontwikkeling: Ontwikkelen in C, Bibliotheken, Field: Biology, field::chemistry, implemented-in::c, User Interface: Command Line, Role: role::devel-lib, role::program, Scope: Utility, Works with: Packaged Software

Andere aan gromacs-mpich gerelateerde pakketten

• dep: libc6 (>= 2.29)

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: 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) [niet armel, armhf, i386, mipsel]

  GCC support bibliotheek

  dep: libgcc-s1 (>= 3.5) [armel, armhf]

  dep: libgcc-s1 (>= 4.2) [mipsel]

  dep: libgcc-s1 (>= 7) [i386]

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libhwloc15 (>= 2.4.1+dfsg)

  Hierarchical view of the machine - shared libs

• dep: libmpich12 (>= 3.4.1) [niet amd64]

  Shared libraries for MPICH

  dep: libmpich12 (>= 3.4.1-3) [amd64]

• dep: libstdc++6 (>= 10.2) [armel]

  GNU Standard C++ Library v3

  dep: libstdc++6 (>= 5.2) [amd64, i386, ppc64el]

  dep: libstdc++6 (>= 6) [niet amd64, armel, i386, ppc64el]

• dep: mpich

  Implementation of the MPI Message Passing Interface standard

• dep: neon-support [armhf]

  prevent installation on processors without required instructions

• dep: sse2-support [i386]

  prevent installation on processors without required instructions

• dep: zlib1g (>= 1:1.2.0)

  compressiebibliotheek - programma's

• rec: gromacs

  Molecular dynamics simulator, with building and analysis tools

• sug: gromacs-data

  GROMACS molecular dynamics sim, data and documentation

gromacs-mpich downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Pakketgrootte	Geïnstalleerde grootte	Bestanden
amd64	6.701,7 kB	18.083,0 kB	[overzicht]
arm64	5.289,5 kB	14.433,0 kB	[overzicht]
armel	3.426,3 kB	11.919,0 kB	[overzicht]
armhf	3.221,0 kB	8.727,0 kB	[overzicht]
i386	5.967,2 kB	18.363,0 kB	[overzicht]
mips64el	3.768,5 kB	14.581,0 kB	[overzicht]
mipsel	3.908,2 kB	14.117,0 kB	[overzicht]
ppc64el	4.390,0 kB	14.645,0 kB	[overzicht]
s390x	3.277,8 kB	13.055,0 kB	[overzicht]