[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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