How to Install and Uninstall gromacs-openmpi Package on Ubuntu 20.10 (Groovy Gorilla)

Last updated: November 22,2024

1. Install "gromacs-openmpi" package

Please follow the guidance below to install gromacs-openmpi on Ubuntu 20.10 (Groovy Gorilla)


    
        
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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

Please follow the instructions below to uninstall gromacs-openmpi on Ubuntu 20.10 (Groovy Gorilla):


    
        
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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 20.10 (Groovy Gorilla)

Package: gromacs-openmpi
Architecture: amd64
Version: 2020.4-1
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: 18194
Depends: openmpi-bin (>= 1.2.3), libc6 (>= 2.32), libfftw3-double3 (>= 3.3.5), libfftw3-single3 (>= 3.3.5), libgcc-s1 (>= 3.0), libgomp1 (>= 4.9), libhwloc15 (>= 2.2.0+dfsg), libopenmpi3 (>= 4.0.3), libstdc++6 (>= 5.2), zlib1g (>= 1:1.2.0)
Recommends: gromacs
Suggests: gromacs-data
Filename: pool/universe/g/gromacs/gromacs-openmpi_2020.4-1_amd64.deb
Size: 6858912
MD5sum: 8e2b234276d9f427f0e9218956722ed7
SHA1: cef9dc28444c68b7b64d677231146bbc4989e051
SHA256: f927e1f665cf090b8c9f860cc81cecb4f7ea3d6221de5348d0af30c53138568d
SHA512: c964181d217446a85596b97905a49a584806caba0fdf38d831bc724da58354a4f0bdb57bf12cafc4f0b25031cee40226cc3905c272b7b9d28756c63f5b926549
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