[Pw_forum] Segmentation fault (core dumped) to run a script

[Bramha Pandey]

Dear Developers and users,
When i am trying to run one simple script, i get the Segmentation fault
(core dumped) for the two value (9.8 and 9.9) of alat.
The following script which i am using
#!/bin/sh
####################################################################
#
# define the following variables according to your needs
#
#espresso_dir=/home/bramha/espresso-5.0.1
#outdir1=/home/bramha/tmp
#pseudo_dir=/home/bramha/espresso-5.0.1/pseudo
####################################################################

for alat in   9.8 9.9  10.0 10.1 10.2 10.3 10.4 10.5 10.6 10.7  ; do

# self-consistent calculation
cat > si.scf.in << EOF
 &control
restart_mode='from_scratch',
    prefix='silicon',
    pseudo_dir = '/home/bramha/espresso-5.0.1/pseudo',
    outdir='/home/bramha/tmp'
 /
 &system
    ibrav=  2, celldm(1) =$alat, nat=  2, ntyp= 1,
    ecutwfc = 20.0,
 /
 &electrons
 /
ATOMIC_SPECIES
 Si  28.086  Si.pz-vbc.UPF
ATOMIC_POSITIONS
 Si 0.00 0.00 0.00
 Si 0.25 0.25 0.25
K_POINTS automatic
   4 4 4 1 1 1
EOF

/home/bramha/espresso-5.0.1/bin/pw.x < si.scf.in > si.scf.out

grep -e 'lattice parameter' -e ! si.scf.out | \
     awk '/lattice/{alat=$(NF-1)}/!/{print alat, $(NF-1)}' >>
si.etot_vs_alat

done

Please any type of comments are appreciated.

-- 
Thanks and Regards
Bramha Prasad Pandey
Ph.D Student Indian School of Mines(ISM)
Dhanbad, INDIA.
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