Paketti: gromacs-mpich (2019.1-1)

[ Source: 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.

Tagit: Software Development: C Development, Kirjastot, Field: Biology, field::chemistry, implemented-in::c, User Interface: Command Line, Role: role::devel-lib, role::program, Scope: Utility, Works with: Packaged Software

Muut pakettiin gromacs-mpich liittyvät paketit

• dep: libc6 (>= 2.27)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa 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: libgcc1 (>= 1:3.0)

  GCC:n apukirjasto

• 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 (>= 6)

  GNU standardi C++ -kirjasto, versio 3

• dep: mpich

  Implementation of the MPI Message Passing Interface standard

• dep: zlib1g (>= 1:1.2.0)

  pakkauskirjaston ajonaikaistiedostot

• rec: gromacs

  Molecular dynamics simulator, with building and analysis tools

• sug: gromacs-data

  GROMACS molecular dynamics sim, data and documentation

Imuroi gromacs-mpich

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
arm64	5,668.8 kt	14,926.0 kt	[tiedostoluettelo]