[Pw_forum] How to start and use QE open source simulation

[Giovanni Cantele]

yoseph Getachew wrote:
> Dear All ,
>
> sorry but this is a very low level question.
>
> would you please inform me as to how i can install,configure, and make
> all the necessary steps so that i can be able to run simulations. i
> have tried to use the QE website but i ended up in so much more
> inconsistencies.
>   
actually, it is rather hard to help you, due to loss of information.
Which kind of inconsistencies? In compiling QE? At run time?
It seems to me that lot of information can be found here:
http://www.quantum-espresso.org/wiki/index.php/Installation
there are also compiler/architecture-related issues mentioned there.
The user guide is also reported within the distribution 
(Doc/user_guide.html).
> for example where and how  can i get and install fortan and c.
on which system? Do you have a Linux distribution? Maybe ubuntu?
I've the Intel fortran/C compiler that I freely downloaded from the 
Intel web site,
I guest it is still free.
Another possibility is gfortran, I would install it on my PC using
sudo apt-get install gfortran
but a different command is needed for other linux distributions.
> xcrysden
> which binary or static files should i use  and how should i install them.
>   
are you sure that what reported on the web site is useless for you?
Go to (did you already do it?)
http://www.xcrysden.org/doc/install.html
I find many sections:
*Installation Instructions 
<http://www.xcrysden.org/doc/install.html#__toc__0>*
    */How to Install the Compiled Package 
<http://www.xcrysden.org/doc/install.html#__toc__1>/*
        /FOR IMPATIENT: minimal installation instructions 
<http://www.xcrysden.org/doc/install.html#__toc__2>/
        /A Bit Longer Installation Instructions 
<http://www.xcrysden.org/doc/install.html#__toc__3>/
        /What xcConfigure does? 
<http://www.xcrysden.org/doc/install.html#__toc__4>/
    */How to Install the Source Package 
<http://www.xcrysden.org/doc/install.html#__toc__5>/*
        /Trouble Shooting 
<http://www.xcrysden.org/doc/install.html#__toc__6>/

Someone also had the patience to suggest installation instructions for both
impatient and patient users!!!!!
Did you follow all the suggested steps, and in case which was the one 
failing?
         
> i need your specific advise on this to catch up with everybody.
>
> Regards,
> Yoseph Getachew
> ArbaMinch University,
> Department of Physics
>   
>
>   

Best regards,

    Giovanni

-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: giovanni.cantele at cnr.it
        giovanni.cantele at na.infn.it
Web: http://people.na.infn.it/~cantele
Research Group: http://www.nanomat.unina.it
Skype contact: giocan74