[Pw_forum] segmentation fault

[Stefano de Gironcoli]

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
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