[Pw_forum] ev.x with parallel execution

[Ali KACHMAR]

Hi,

is ev.x now different from what have you used for MgO? 

Best,
Ali
Date: Tue, 26 Feb 2013 13:58:50 +0000
From: tsakhrawi at yahoo.com
To: Pw_forum at pwscf.org
Subject: [Pw_forum] ev.x  with parallel execution

dear all, 
I go to use parallel executions, i can execute pw.x, dos.x, .... but not ev.x !!!there is any idea how to proceed??
thanks in advance
================
Sakhraoui TaoufikLMCNFaculty of science 
Monastir, Tunisia================


> From: giannozz at democritos.it
> Date: Sat, 1 Dec 2012 16:33:23 +0100
> To: tsakhrawi at yahoo.com; pw_forum at pwscf.org
> Subject: Re: [Pw_forum] ev.x problem with MgO
> 
> 
> On Dec 1, 2012, at 10:49 , Sakhrawi Taoufek wrote:
> 
> > the problem is that only in the case of compound MgO, it gives me  
> > no result
> 
> if you do not show the data file read by ev.x, it is hard to say  
> anything
> 
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 

Date: Sat, 1 Dec 2012 18:24:54 +0530
From: pandey.bramha at gmail.com
To: tsakhrawi at yahoo.com; pw_forum at pwscf.org
Subject: Re: [Pw_forum] ev.x problem with MgO

What type of error messages you are obtaining?

On Sat, Dec 1, 2012 at 3:19 PM, Sakhrawi Taoufek <tsakhrawi at yahoo.com> wrote:

Dear all, 
I try to optimize the lattice parameter of different compounds, i fit with ev.x, the problem is that only in the case of compound MgO, it gives me no result???!!!!!!!!
############################################
[***@*** MgO_cc]$ ../../../bin/ev.x 
     Lattice parameter or Volume are in (au, Ang) > 

here you give au or Ang depending on your data file. 

     Enter type of bravais lattice (fcc, bcc, sc, hex) > bcc
     Enter type of equation of state :

     1=birch1, 2=birch2, 3=keane, 4=murnaghan > 4
     Input file > mgo.etot_vs_alatIf you are puting write Input file, definitely it will ask for output file name also. 





#############################################
There is any idea??any suggestion will be appreciated.
Thanks--------------------------------
Sakhraoui Taoufik
Ph.D student Faculty of Sciences of
 MonastirDepartment of Physics
L.M.C.NMonastir, Tunisia

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





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-- 
Thanks and Regards
Bramha Prasad Pandey
Indian School of Mines(ISM)

Dhanbad, INDIA.Date: Sat, 1 Dec 2012 09:49:34 +0000
From: tsakhrawi at yahoo.com
To: Pw_forum at pwscf.org
Subject: [Pw_forum] ev.x problem with MgO

Dear all, 
I try to optimize the lattice parameter of different compounds, i fit with ev.x, the problem is that only in the case of compound MgO, it gives me no result???!!!!!!!!############################################
[***@*** MgO_cc]$ ../../../bin/ev.x 
     Lattice parameter or Volume are in (au, Ang) > 
     Enter type of bravais lattice (fcc, bcc, sc, hex) > bcc
     Enter type of equation of state :
     1=birch1, 2=birch2, 3=keane, 4=murnaghan > 4
     Input file > mgo.etot_vs_alat

#############################################
There is any idea??any suggestion will be appreciated.Thanks--------------------------------
Sakhraoui TaoufikPh.D student Faculty of Sciences of
 MonastirDepartment of PhysicsL.M.C.NMonastir, Tunisia
--------------------------------


 		 	   		  
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