Gaussian 16 A.03 GNU/Linux AVX2 [2016, ENG]
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
AVX2-enabled CPU: Haswell, Ryzen and later
NVIDIA Kepler GPU (optionally): Geforce GTX Titan {, Black, Z}, Quadro K6000, Tesla K {40, 80}
Description: Gaussian is a popular program for calculations related to the electronic structure of matter.
Free alternative: ORCA, GAMESS US, NWChem
install
Run the calculation:
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
AVX2-enabled CPU: Haswell, Ryzen and later
NVIDIA Kepler GPU (optionally): Geforce GTX Titan {, Black, Z}, Quadro K6000, Tesla K {40, 80}
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
Code:
$GAUSS_EXEDIR/g16 example.inp