How to install Virtual Box and Import OVA file

 How to install VirtualBox and Import OVA file 

Steps to Follow:

1. Download the latest version of VirtualBox  from here

2. Download the .OVA file (sent to your mail) 

3. Check "Virtualization Technology" is enabled in your system. 

    

        For Ubuntu/Linux : in terminal type --> 

           $ sudo apt-get install cpu-checker

           $ sudo kvm-ok

          "Virtualization is enable" if, its output showing:

 

$ sudo kvm-ok
INFO: /dev/kvm exists
KVM acceleration can be used

 

For window OS :Right click on windows bottom panel ---> click on taskbar --> Performance ----> near the mouse pointer you can see that "Virtualization  Disabled"

4. If Virtualization is not enabled then you have to enable it from BIOS.

   

   a)  Shut Down the OS

   b)  Press the BIOS key ( generally it is F10 (for HP)or F12 (Lenovo)or F2 (for others) But, Please cross check on google for your laptop/Desktop model)

   c) In BIOS ----> Configuration ---> Virtualization Technology ---> enable it if  disabled

5. If your virtualization is enabled, then go ahead and " INSTALL VIRTUALBOX"

 

6. Open VirtualBox ---> file --->  Import Appliance ---> select your .ova file

 

7.  Change the Parameters values:  Processors= 2 , Ram = 2048

 

8. Import

 

 

 

 

 

 

 

 

How to Install Qunatum Espresso in Ubuntu 18.04/20.04

 

How to install Quantum Espresso in Ubuntu 20.04

Hi Friends!

Today I will write a script to install the Quantum Espresso  latest version in Ubuntu 18.04/20.04.

Important Notes:

• Always use LTS version of Ubuntu. Never use odd versions of Ubuntu (17.10, 19.10 or 21.10) for your research.
  
• If your internet speed is not good then you better download the files from the given link manually. From terminal it may take time to download the files.
• If you are using manual download method then please put the downloaded files in "qe" directory inside home directory.
  

#Step-0: Download the files

             Installation script                    click here  

          Optional ( for slow internet download the below files )

            Openmpi                                   click here

             Quantum espresso                   click here

 

Note: 

     in case of manual download please put a comment sign(#) before wget in step 2 & 3. 

    e. g.  #wget -O ~/qe/openmpi-4.0.5.tar.gz https://download.open-mpi..........

     and      #wget -O ~/qe/qe6.tar.gz https://codeload.github.com/QEF/q-e/tar.gz/........

#Step-1: Prerequisite for Quantum Espresso

mkdir -p ~/qe/             # create a directory name qe inside home
sudo apt-get install -y gcc gfortran
sudo apt-get install -y build-essential
sudo apt-get install -y libfftw3-dev
sudo apt-get install -y libblas3
sudo apt-get install -y libblas-dev
sudo apt-get install -y liblapack-dev

#Step-2: Installation of openmpi-4.0.5

wget -O ~/qe/openmpi-4.0.5.tar.gz https://download.open-mpi.org/release/open-mpi/v4.0/openmpi-4.0.5.tar.gz
tar -xvzf ~/qe/openmpi-4.0.5.tar.gz -C ~/qe/
cd ~/qe/openmpi-4.0.5
./configure
make install
echo "export PATH=\$PATH:~/qe/openmpi-4.0.5/bin" >> .bashrc # inserting openmpi path in .bashrc file

#Step-3: Installation of QE-6.6

wget -O ~/qe/qe6.tar.gz https://codeload.github.com/QEF/q-e/tar.gz/qe-6.6
tar -xvzf ~/qe/qe6.tar.gz -C ~/qe/
mv ~/qe/q-e-qe-6.6 ~/qe/qe6.6
cd ~/qe/qe6.6
./configure --enable-parallel=no --enable-openmp=yes
make all
echo "export PATH=\$PATH:~/qe/qe6.6/bin" >> .bashrc