[Pw_forum] error in reading namelist system

[Gabriele Sclauzero]

Dear Elie,

   are you sure that this la2F keyword is part of the pw.x &system namelist? 
Anyway, it's always good practice to specify which version of QE you are using as well as the compiler.

If you are using version 4.3.2 with some versions of the Intel 12.x.x compiler, there could be some problems with the new handling of the input files.
Indeed, what I have observed is that lines longer than 80 characters are split when the original input is copied to the input_tmp.in file.
This can possibly lead to a wrong interpretation of your input.
Is this the case for you?


HTH

GS

Il giorno 22/mar/2012, alle ore 15.07, Elie M ha scritto:

> Dear all,
> 
> I am trying to run an scf calculation but the code complains:
> 
> " from  read_namelists  : error #        19
>       reading namelist system"
> 
> I have checked into my &system but could not find anything wrong. 
> 
> "&control
>     prefix='elphmono',
>     calculation='scf',
>     restart_mode='from_scratch',
>     verbosity='high',
>     tprnfor=.true.,
>     pseudo_dir = '/home_cluster/fis718/eliemouj/espresso-4.3.2/pseudo',
>     outdir='/home_cluster/fis718/eliemouj/espresso-4.3.2/monographene/MONODIR',
> 
>  /
>  &system
>     ibrav= 4, celldm(1) =4.608737, celldm(3)=4.53666, nat=2, ntyp= 1, ecutwfc =32, occupations='smearing', smearing='methfessel-paxton', degauss=0.01, la2F=.true.
> 
> /
>  &electrons
>     conv_thr=1.D-9,
>     mixing_beta=0.1D0,
> 
>  /
> 
> ATOMIC_SPECIES
>  C  12.0107  C.pbe-rrkjus.UPF
> 
> ATOMIC_POSITIONS crystal
> C   0.000000  0.000000  0.000000
> C   0.333333 -0.333333  0.000000
> 
> K_POINTS {automatic}
> 50 50 1  0 0 0 "
> Can anyone spot anything wrong with it. Thank you all
> 
> Elie Moukaes
> University of Nottingham
> NG7 2RD
> UK
> 
> 
>  
> 
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne







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