Complete Guide: Installing gromacs-openmpi on Ubuntu 21.04 (Hirsute Hippo) 2024

1. Install "gromacs-openmpi" package

In this section, we are going to explain the necessary steps to install gromacs-openmpi on Ubuntu 21.04 (Hirsute Hippo)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                gromacs-openmpi
            
                    
    
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2. Uninstall "gromacs-openmpi" package

This guide covers the steps necessary to uninstall gromacs-openmpi on Ubuntu 21.04 (Hirsute Hippo):


    
        
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                sudo apt remove
            
                        
                gromacs-openmpi
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the gromacs-openmpi package on Ubuntu 21.04 (Hirsute Hippo)

Package: gromacs-openmpi
Architecture: amd64
Version: 2020.6-2
Priority: extra
Section: universe/science
Source: gromacs
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 17059
Depends: openmpi-bin (>= 1.2.3), libc6 (>= 2.33), libfftw3-double3 (>= 3.3.5), libfftw3-single3 (>= 3.3.5), libgcc-s1 (>= 3.3.1), libgomp1 (>= 4.9), libhwloc15 (>= 2.4.1+dfsg), libopenmpi3 (>= 4.1.0), libstdc++6 (>= 5.2), zlib1g (>= 1:1.2.0)
Recommends: gromacs
Suggests: gromacs-data
Filename: pool/universe/g/gromacs/gromacs-openmpi_2020.6-2_amd64.deb
Size: 6615732
MD5sum: 879a0404469d751adec537c5d1e8117e
SHA1: fd40d59b105a25937c8096303dea37579d41c746
SHA256: 3c7370cfcea2bc595c7fb9d947acd17a295e095393402e2eaa5030e152194f20
SHA512: eb8aef3d59d7b8412809ccaeb0951f1d3b0eded4190dc5707a5884065e3d67e9b3f3af692cb5b69c359fd9aa7dee6109428b778ea3c69163e39185b31765029e
Homepage: http://www.gromacs.org/
Description-en: 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.
Description-md5: c30854a1f128b7a83468fdd24f8edbc3