Information about the package, gromacs-openmpi, which is shipped with common Linux distributions. The gromacs-openmpi package is designed for, GROMACS Open MPI binaries and libraries.
Package Name:
gromacs-openmpi
Summary:
GROMACS Open MPI binaries and libraries
Description:
GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for biomolecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. mdrun has been compiled with thread parallellization (for running on a single node) and with Open MPI (for running on multiple nodes). This package single and double precision binaries and libraries.
Architecture:
x86_64
Version:
4.5.7
Release:
1.el6
Size:
117 k
Repository:
epel
From Repository:
Licence:
GPLv2+
Control the gromacs-openmpi package with the following handy commands outlined below.
yum install gromacs-openmpi
This command will install gromacs-openmpi on the server.
yum remove gromacs-openmpi
This command will un-install gromacs-openmpi on the server. When you run this command, you will be asked if you are sure that you want to remove gromacs-openmpi, so you have to manually confirm that you want to do this.
yum -y remove gromacs-openmpi
This command will un-install gromacs-openmpi on the server. When you run this command with th e -y flag, you will not be prompted to check that you are sure you want to remove the package - so be sure you absolutely want to remove gromacs-openmpi when using the -y flag.
yum update gromacs-openmpi
This command will update gromacs-openmpi to the latest version. When you run this command, you will be asked if you are sure that you want to remove gromacs-openmpi, so you have to manually confirm that you want to do this.
yum -y update gromacs-openmpi
This command will update gromacs-openmpi to the latest version. When you run this command with the -y flag, you will not be prompted to check that you are sure you want to remove the package - so be sure you absolutely want to remove gromacs-openmpi when using the -y flag.
yum info gromacs-openmpi
This command will show you core information about the gromacs-openmpi package.
yum deplist gromacs-openmpi
This command will show you the dependencies for gromacs-openmpi. Thankfully, when using Yum, if dependencies are required, these are also installed at the same time so you don't have to worry too much about that.
yum check-update gromacs-openmpi
This command will check if there is an update waiting on gromacs-openmpi. When you run this command this will return nothing if there is nothing to update, or, will return the package name if the package is due to be updated.