[Pw_forum] segmentation fault

Mutombo mutombo at fzu.cz
Wed Dec 18 16:40:20 CET 2002


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 0

Regards,
                            Pingo

---------------------------------------------------------------------------------------------------------------------------------------
Dr. Pingo Mutombo
Institute of Physics
Academy of Sciences of the Czech republic
Cukrovarnicka 10
162 53 Praha 6
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