Paket: gromacs-openmpi (2020.5-4) [debports]

Länkar för gromacs-openmpi

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Molecular dynamics sim, binaries for OpenMPI 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 OpenMPI interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.

Andra paket besläktade med gromacs-openmpi

beror

rekommenderar

föreslår

enhances

dep: libc6.1 (>= 2.29)

GNU C-bibliotek: Delade bibliotek
också ett virtuellt paket som tillhandahålls av libc6.1-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 (>= 3.4)

GCC stödbibliotek
dep: libgomp1 (>= 4.9)

GCC OpenMP (GOMP) support library
dep: libhwloc15 (>= 2.4.1~rc3+dfsg)

Hierarchical view of the machine - shared libs
dep: libopenmpi3 (>= 4.1.0)

high performance message passing library -- shared library
dep: libstdc++6 (>= 6)

GNU standardbibliotek v3 för C++
dep: openmpi-bin (>= 1.2.3)

high performance message passing library -- binaries
dep: zlib1g (>= 1:1.2.0)

Kompressionsbibliotek - körtidspaket

rec: gromacs

Molecular dynamics simulator, with building and analysis tools

sug: gromacs-data

GROMACS molecular dynamics sim, data and documentation

Hämta gromacs-openmpi

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Paketstorlek	Installerad storlek	Filer
alpha (inofficiell anpassning)	4.297,2 kbyte	14.197,0 kbyte	[filförteckning]