[Pw_forum] Installation

[rauleg]

Install the QE in Ubuntu is easy.




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De: pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] en nombre de Sohail Ahmad [sohailphysics at yahoo.co.in]
Enviado: jueves, 24 de octubre de 2013 12:27 p.m.
Para: Plane Wave
Asunto: [Pw_forum] Installation

Dear Sir
I am trying to install QE on a dell laptop which fullfil all requirements (Compilers,,,,libraries)
I am not very good at linux , pls help

I followed the following steps
tar zxvf espresso-4.3.2.tar.gz
gunzip -c espresso-4.3.2.tar.gz
cd espresso-4.3.2
./configure
make all
gedit .bashrc &
PATH=$PATH:/home/sohail/espresso/espresso-4.3.2/bin

i downloaded example file and extracted within espresso-4.3.2 and named Examples
till this i didnot find any error
All other required things are available
After that i went to directory Examples/examples  and tried to run to check
/home/sohail/espresso/espresso-4.3.2/Examples/examples

i am getting following error

/home/sohail/espresso/espresso-4.3.2/Examples/examples/example01 : starting

This example shows how to use pw.x to calculate the total energy and
the band structure of four simple systems: Si, Al, Cu, Ni.

  executables directory: /home/sohail/espresso/espresso-4.3.2/Examples/bin
  pseudo directory:      /home/sohail/espresso/espresso-4.3.2/Examples/pseudo
  temporary directory:   /home/sohail/tmp
  checking that needed directories and files exist...
ERROR: /home/sohail/espresso/espresso-4.3.2/Examples/bin not existent or not a directory
Aborting

/home/sohail/espresso/espresso-4.3.2/Examples/examples/example02 : starting

This example shows how to use pw.x and ph.x to calculate phonon
frequencies at Gamma and X for Si and C in the diamond structure and
for fcc-Ni.

  executables directory: /home/sohail/espresso/espresso-4.3.2/Examples/bin
  pseudo directory:      /home/sohail/espresso/espresso-4.3.2/Examples/pseudo
  temporary directory:   /home/sohail/tmp

  checking that needed directories and files exist...
ERROR: /home/sohail/espresso/espresso-4.3.2/Examples/bin not existent or not a directory
Aborting

---------------------------------------------------------------------

Dr. Sohail Ahmad
Assistant Professor
Department of Physics
Faculty of Science, P. O. Box - 9004
King Khalid University
Abha, Saudi Arabia

Contact:   +966 (0) 556776986 (M)
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