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