Configure QUANTUM ESPRESSO Parallel execution Setup/Installation procedure

To install QE with Parallel: 
extract QE download from [www.quantum-espresso.org] & Extract.
goto inside qe-6.6

or Download From Here

................. Open a Terminal .....................

>>sudo apt-get update
>>sudo apt-get upgrade
>>sudo apt-get install gfortran
>>./configure
>>sudo apt-get install openmpi-bin openmpi-doc libopenmpi-dev

[you must have to install libopenmpi-dev or intel mpi  so that the mpi can communicate with processor otherwise it will be serial]

>>./configure 
>>make all
......................

If after configuration if it shows (./configure)

Parallel environment detected successfully.\
Configured for compilation of parallel executables.

For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).
--------------------------------------------------------------------
configure: success

Then
.................................
Done
................................

 If after configuration if it shows (./configure)

 

 "Parallel environment not detected \(is this a parallel machine?\).\
Configured for compilation of serial executables."

it means you didn't install libopenmpi-dev or like this application that can communicate with processor !try to install libopenmpi-dev
 

 >>./configure --enable-openmpi

>> make all

 
Then
.................................
Done
................................

 

NB: 

Command 'make' not found, but can be installed with:

Then RUN:

sudo apt install make     
sudo apt install make-guile

 

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 Example:

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For Run a Code must add "mpirun" at first like

>>mpirun /home/qe-3.3/bin/pw.x -in aln.scf.in>aln.scf.out
or
>>mpirun -np 4 /home/qe-3.3/bin/pw.x -in aln.scf.in>aln.scf.out
or
>>mpirun --use-hwthread-cpus -np 4 /home/qe-3.3/bin/pw.x -in aln.scf.in>aln.scf.out


here "/home/qe-3.3/bin/"  is the path to QE folder
here aln.scf.in is the input file , [i ran terminal inside the folder where "aln.scf.in" file is in]
......................................

or you need to run this when you open a terminal outside of the folder where the file is
>>mpirun -np 4 /home/qe-3.3/bin/pw.x -in /home/desktop/abc/aln.scf.in> /home/desktop/abc/aln.scf.out
.............................
Just using mpirun can use only half of your cores !!
if you use
"--use-hwthread-cpus" you can use all the processors parallay.
.................................................
after running any file you will get the following lines in your output file :

Program PWSCF v.6.3 starts on 13May2019 at 18:49:19

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     4 processors    <<<<<<<<<<<<<<< this is the confirmation.
........................................................
performance of just mpirun -np (half of the number of your processor) gives the best output like if you  have 8 processor
then write as
>> mpirun -np 4 /path/pw.x -in /path/scf.in > /path/scf.out
........................................................

thanks everyone, any query email me :  jikrulrzs13eeekuet@gmail.com
>>>THE END<<< @jikrul

NB: i am using ubuntu 19.0...    i tried kubuntu 18.0.... also