[Pw_forum] Segmentation fault in Berry Phase calculation

[yukihiro_okuno at fujifilm.co.jp]

Dear PWScf Users.

I'm now calculationg Berry Phase of PZT with shear stress (
so the structure of crystal is monoclinic) in order to
get piezoelectric coefficient e15.

But when I do the Berry Phase calculation, calculation was crushed
with segmentation fault.

Why such a problem occurs?
Are there any need to correct  memory allocation in the program ?

My enviroment is

compiler Intel FCC 8.1
OS         linux FedoraCore
math lib  mkl721


My input file is as follow
(with the stress = 0 case)

:scf calculation


&control
    calculation  = 'scf',
    restart_mode = 'from_scratch',
    pseudo_dir   = '/home/okuno/PWSCF/espresso-3.2/pseudo/',
    outdir       = './',
    prefix='PZT'
 /
 &system
    ibrav=12
    celldm(1)=7.57696068724
    celldm(2)=2.09
    celldm(3)=1.00
    celldm(4)=0.00
    nat=10
    ntyp=4
    nbnd=44
    ecutwfc=60.0
    ecutrho = 600.0
    occupations = 'fixed'
    degauss=0.00
 /
 &electrons
    conv_thr = 1e-10,
    mixing_beta=0.3,
 /
ATOMIC_SPECIES
  Pb  207.2     pb_ps.uspp.UPF
  Zr  91.224    zr_ps.uspp.UPF
  Ti  47.867    ti_ps.uspp.UPF
  O   15.9994   o_ps.uspp.UPF
ATOMIC_POSITIONS {crystal}
Pb       0.000000000   0.006012264   0.000000000
Pb       0.000000000   0.537853199   0.000000000
Zr       0.500000000   0.244190014   0.500000000
Ti       0.500000000   0.740640879   0.500000000
O        0.500000000   0.951075914   0.500000000
O        0.500000000   0.478306726   0.500000000
O        0.500000000   0.189000664   0.000000000
O        0.000000000   0.189000664   0.500000000
O        0.500000000   0.711889837   0.000000000
O        0.000000000   0.711889837   0.500000000
K_POINTS {automatic}
  6 6 6 0 0 0


For berry phase calculation.

&control
    calculation  = 'nscf'
    restart_mode = 'from_scratch'
    pseudo_dir   = '/home/okuno/PWSCF/espresso-3.2/pseudo/'
    outdir       = './'
    lberry  = .true.
    gdir = 2
    nppstr = 10
    prefix = 'PZT'
 /
 &system
    ibrav=12
    celldm(1)=7.57696068724
    celldm(2)=2.09
    celldm(3)=1.00
    celldm(4)=0.00
    nat=10
    ntyp=4
    nbnd=44
    ecutwfc=60.0
    ecutrho = 600.0
    occupations = 'fixed'
    degauss=0.00
 /
 &electrons
    conv_thr = 1e-8,
    mixing_beta=0.3,
 /
ATOMIC_SPECIES
  Pb  207.2     pb_ps.uspp.UPF
  Zr  91.224    zr_ps.uspp.UPF
  Ti  47.867    ti_ps.uspp.UPF
  O   15.9994   o_ps.uspp.UPF
ATOMIC_POSITIONS {crystal}
Pb       0.000000000   0.006012264   0.000000000
Pb       0.000000000   0.537853199   0.000000000
Zr       0.500000000   0.244190014   0.500000000
Ti       0.500000000   0.740640879   0.500000000
O        0.500000000   0.951075914   0.500000000
O        0.500000000   0.478306726   0.500000000
O        0.500000000   0.189000664   0.000000000
O        0.000000000   0.189000664   0.500000000
O        0.500000000   0.711889837   0.000000000
O        0.000000000   0.711889837   0.500000000
K_POINTS {automatic}
  6 6 6 0 0 0