软件包：gromacs-mpich（2020.6-2）

[ 源代码： 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.

标签: 软件开发: C 开发, 函数库, 领域: 生物学, field::chemistry, implemented-in::c, 用户接口: 命令行, 角色: role::devel-lib, role::program, 范围: 实用程序, 处理: 已打包的软件

其他与 gromacs-mpich 有关的软件包

• dep: libc6 (>= 2.29)

  GNU C 语言运行库：共享库
  同时作为一个虚包由这些包填实： 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) [除 armel, armhf, i386, mipsel]

  GCC 支持库

  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）支持库

• dep: libhwloc15 (>= 2.4.1+dfsg)

  Hierarchical view of the machine - shared libs

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

  Shared libraries for MPICH

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

• dep: libstdc++6 (>= 10.2) [armel]

  GNU 标准 C++ 库，第3版

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

  dep: libstdc++6 (>= 6) [除 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)

  压缩库 - 运行时

• rec: gromacs

  Molecular dynamics simulator, with building and analysis tools

• sug: gromacs-data

  GROMACS molecular dynamics sim, data and documentation

下载 gromacs-mpich

下载可用于所有硬件架构的

硬件架构	软件包大小	安装后大小	文件
amd64	6,701.7 kB	18,083.0 kB	[文件列表]
arm64	5,289.5 kB	14,433.0 kB	[文件列表]
armel	3,426.3 kB	11,919.0 kB	[文件列表]
armhf	3,221.0 kB	8,727.0 kB	[文件列表]
i386	5,967.2 kB	18,363.0 kB	[文件列表]
mips64el	3,768.5 kB	14,581.0 kB	[文件列表]
mipsel	3,908.2 kB	14,117.0 kB	[文件列表]
ppc64el	4,390.0 kB	14,645.0 kB	[文件列表]
s390x	3,277.8 kB	13,055.0 kB	[文件列表]