[Pw_forum] segmentation fault

[Pingo Mutombo]

Dear Stefano and Gianni,
I am actually outside my institute and I cannot login to my machine  to
make the change you suggested.I will do it once I returned back from my
vacation and I will let you know about any eventual success.
Many thanks for your assistance.
Regards,
                   Pingo

On Wed, 18 Dec 2002,
Stefano de Gironcoli wrote:

> dear Pingo,
>
>         where does the program crash ?
>         which routine ? can you trace back the problem to some extent ?
>         is it a memory problem ?  how much memory do you have on your machine ?
>         does the problem disappear if you reduce the cutoff ?
>
>      regards,
>          Stefano de Gironcoli
>
> Mutombo wrote:
>
> > Dear list,
> > I am getting this error message when I run the PWSCF code (pw1.1.2) :
> >
> > forrtl: severe (174): SIGSEGV, segmentation fault occurred
> >
> > My system is Alpha-Linux .
> > How can I solve this? Here the input file I  am using. I got it  from another group
> > using the same code. It worked for them very well. CONTO SCF : bulk electronic structure
> >
> >  Sn/Si(111)
> >   &INPUT   ibrav=  4, celldm(1)=12.5680,celldm(3)=2.5,nat=22,ntyp=3,
> >      pseudop(1)='Sn.lda',
> >    pseudop(2)='Si.vbc',
> >     pseudop(3)='H.lda',
> >      pseudo_dir = '../../../PWSCF/pseudo/',
> >      fixatom=0,
> >      isolve=1,
> >      iswitch=1,
> >      nbnd=40,
> >      degauss=0.002,
> >      ltaucry=.false.,
> >     lxkcry=.true.,
> >      tmp_dir='/tmp/',
> >     ecut(1) =12.0,
> >      beta(1) = 0.3,
> >      tr2 =  1.0d-16,
> >      lforce=.true., lstres=.false.,
> >     output_pot='sqrtpot',
> >  /
> >     0.000000000  -0.000000000   1.178356164  1
> >    -0.155714495  -0.269705458   0.932688714  2
> >     0.311428962  -0.000000000   0.932688714  2
> >    -0.155714495   0.269705458   0.932688714  2
> >     0.000000000  -0.000000000   0.789570385  2
> >    -0.500000000  -0.288675135   0.859209179  2
> >     0.500000000   0.288675135   0.859209179  2
> >     0.000000000  -0.000000000   0.468890247  2
> >    -0.500000000  -0.288675135   0.523201586  2
> >     0.500000000   0.288675135   0.523201586  2
> >    -0.338959747  -0.000000000   0.414491591  2
> >     0.169479884  -0.293547752   0.414491591  2
> >     0.169479884   0.293547752   0.414491591  2
> >    -0.336726252  -0.000000000   0.085119367  2
> >     0.168363136  -0.291613492   0.085119367  2
> >     0.168363136   0.291613492   0.085119367  2
> >    -0.166666667  -0.288675135  -0.006575914  2
> >    -0.166666667   0.288675135  -0.006575914  2
> >     0.333333333   0.000000000  -0.006575914  2
> >    -0.166666667  -0.288675135  -0.221469463  3
> >    -0.166666667   0.288675135  -0.221469463  3
> >     0.333333333   0.000000000  -0.221469463  3
> >   'Sn' 1 1 1.0
> >   'Si'  1 2 1.0
> >   'H'  1 3 1.0
> >  0
> >  3 3 1 0 0 0Regards,
> > Pingo---------------------------------------------------------------------------------------------------------------------------------------
> >
> > Dr. Pingo Mutombo
> > Institute of Physics
> > Academy of Sciences of the Czech republic
> > Cukrovarnicka 10
> > 162 53 Praha 6
>