[Pw_forum] error-but nothing

[Eyvaz Isaev]

Hi,

More likely, you start a job on IBM SP. If so, it is a
known error, and  you should edit your input file
according 

&CONTROL
...
...
&end

and etc.

Bests,
Eyvaz.

--- Á٠ס <zhupwscf at yahoo.com.cn> wrote:

> Dear Dr. :
>         I have attached the input,output and the
> error files of the TiC in the affix as following:
>  
> The output file of TiC:
>
***************************************************************
> .Program PWSCF     v.2.1.3  starts ...
>      Today is 27Apr2005 at 21: 8:32 
>      Ultrasoft (Vanderbilt) Pseudopotentials
>      Current dimensions of program pwscf are:
>      ntypx =10   npk =40000  lmax = 3
>      nchix = 6  ndmx = 2000  nbrx =14 nqfx = 8
> 
>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from  read_namelists  : error #       136
>       reading namelist control 
> 
>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      stopping ...
>
*********************************************************************************
>  
> The input file of TiC:
>
************************************************************************************
>  &CONTROL
>                        title = TiC ,
>                  calculation = 'vc-relax' ,
>                 restart_mode = 'from_scratch' ,
>                       outdir =
> '/home/zul2/Tic-pwscf/' ,
>                   pseudo_dir =
> '/home/zul2/pwscf/fhi98PP/bin/Elements/Ham/' ,
>  /
>  &SYSTEM
>                        ibrav = 2,
>                            A = 4 ,
>                            B = 4 ,
>                            C = 4 ,
>                        cosAB = 0 ,
>                        cosAC = 0 ,
>                        cosBC = 0 ,
>                          nat = 2,
>                         ntyp = 2,
>                      ecutwfc = 20 ,
>                      ecutrho = 60 ,
>                        nspin = 2 ,
>    starting_magnetization(1) = 0,
>    starting_magnetization(2) = 0,
>  /
>  &ELECTRONS
>             electron_maxstep = 100,
>  /
>  &IONS
>  /
>  &CELL
>  /
> ATOMIC_SPECIES
>    Ti   22.00000  22-Ti:h.ini 
>     C    6.00000  06-C:h.ini 
> ATOMIC_POSITIONS crystal 
>    Ti      0.000000000    0.000000000    0.000000000
>    
>     C      0.500000000    0.500000000    0.500000000
>    
> K_POINTS gamma 
>
***********************************************************************************
> 
> 
> Eyvaz Isaev <eyvaz_isaev at yahoo.com> дµÀ:
> Dear Zhu,
> 
> There is a "nearsightseeing" principle in condensed
> matter physics. According to this principle I don't
> see your output file, therefore, I do not feel (or
> see) an error.
> 
> Bests,
> Eyvaz.
> 
> 
> --- §¢§» §¹#1038;
> wrote:
> > Dear Eyvaz:
> > I'm grateful to you for helping me.
> > There is not pseudopotential for Co atom
> > except for fhi98pp pseudopotential of Co atom. The
> > output file said nothing but just error 136,
> > 
> > Best regards!
> > Yours sincerely,
> > L.Zhu
> > 
> > Eyvaz Isaev 
> §²#1169;?#1040;:
> > Hello,
> > 
> > It means that it does not depend on PsP, at least.
> 
> > I suggest, nobody will be able to say something 
> > until you send your ouput file.
> > 
> > Bests,
> > Eyvaz.
> > 
> > --- ?#1118;§» ?#8470;#1038;
> > wrote:
> > > Dear everyone:
> > > I'm a new user of pwscf, I use the fhi98pp 
> > > pseudopotential ,but there is an error 136, and
> > say
> > > nothing, I user other pseudopotential ,it's the
> > > same error. I don't know what's wrong.
> > > 
> > > 
> > > Best regards!
> > > 
> > > 
> > > 
> > > 
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