[Vasp] How to install the Vasp code

 

 

Vasp code is a non free code

 

First of all we need to add the path to the  ~/.bashrc  file

VASPROOT=/home/algerien1970/abinitio/vasp.5.4.1/bin
export PATH=$PATH:$VASPROOT

 

To compile the vasp code we need to install the intel compiler 2020

To get the compiler download the 4 following parts:

 Part-01-1GB

 Part-02-1GB

 Part-03-1GB

Part-04-123MB 

You have to extract the 4 parts in 1 directory

To install the compiler do as follows:

 * change to the parallel_studio directory and run install script

algerien1970@linux-wipm:~/abinitio/Intel_2020 /parallel_studio_xe_2020_update4_cluster_edition> ./install.sh

We need to use this license file

The intel compiler will be installed in the home directory with intel name 

We need to add the following lines in  ~/.bashrc file

source /home/algerien-1970/intel/bin/compilervars.sh intel64
source /home/algerien-1970/intel/bin/iccvars.sh intel64
source /home/algerien-1970/intel/bin/ifortvars.sh intel64
source /home/algerien-1970/intel/mkl/bin/mklvars.sh intel64
source /home/algerien-1970/intel/impi/2019.9.304/intel64/bin/mpivars.sh intel64

 

and source the file

algerien1970@linux-huzz:~/abinitio> source ~/.bashrc

 

Needed packages

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https://vasp-algerien1970.blogspot.com/2022/02/how-to-install-vasp-code.html