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Gaussian 16 A.03 GNU/Linux SSE4.2

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  • Saadedin
    Saadedin
    Thread Author
    Administrator
    • Sep 2018 
    • 36097 
    • 18,861 
    • 2,860 
    #1
    Gaussian 16 A.03 GNU/Linux SSE4.2

    GNU/Linux x86_64
    SSE4.2-enabled CPU: Nehalem, Bulldozer and newer
    NVIDIA Kepler GPU (optionally): Geforce GTX TITAN {, Black, Z}, Quadro K6000, Tesla K{40, 80}

    Year / Release Date: 2016
    Version: ES64L-G16RevA.03
    Developer: Gaussian, Inc.
    Developer website: gaussian.com/gaussian16
    Digit capacity: 64bit
    Interface Language: English
    Tabletka: not required
    System requirements: GNU / Linux x86_64
    SSE4.2-enabled CPU: Nehalem, Bulldozer and newer
    Description: Gaussian is a popular program for calculations related to the electronic structure of matter.
    Free alternative: ORCA, GAMESS US, NWChem


    install
    Code:
    mkdir -p $HOME/opt/gaussian/scr
export g16root=$HOME/opt/gaussian
tar xvjf G16-A03-AVX2.tbz -C $g16root
export GAUSS_EXEDIR=$g16root/g16
export GAUSS_SCRDIR=$g16root/scr
chmod -R 700 $GAUSS_EXEDIR
cd $GAUSS_EXEDIR
./bsd/install
    Running calculation
    Code:
      $GAUSS_EXEDIR/g16 example.inp
 

df
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    Tags: gaussian, linux, sse4
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