[Pw_forum] svn espresso - segmentation fault in file set_irr.f90
Bramha Pandey
pandey.bramha at gmail.com
Mon Dec 31 15:39:51 CET 2012
Dear All Developers and Users,
when i am trying to run the ph.x code it was giving the following error:::
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line
Source
ph.x 0806AC10 find_mode_sym_ 125
find_mode_sym.f90
ph.x 080A48AB set_irr_ 210 set_irr.f90
ph.x 0806F82D init_representati 91
init_representations.f90
ph.x 0804E82C check_initial_sta 156
check_initial_status.f90
ph.x 0804B531 MAIN__ 90 phonon.f90
ph.x 0804B484 Unknown Unknown Unknown
libc.so.6 B68B74D3 Unknown Unknown Unknown
when i was searched at forum, find that it is a bug
http://www.democritos.it/pipermail/pw_forum/2011-June/020746.html
told by Dear Prof. *Andrea.*
Same problem i am facing in latest svn v.5.0.2 (svn rev. 9735). I am
wondered whether it is fixed or it is coming due to some problem in input.
i am giving my input file.
&CONTROL
calculation='scf',
tstress=.t.,tprnfor=.t.,
outdir='$TMPDIR/',
pseudo_dir='$pseudo/'
/
&SYSTEM
ibrav=2,
celldm(1)=$alat,
nat= 2, ntyp= 2,
ecutwfc=50.0, nosym=.true.,
ecutrho=450
/
&ELECTRONS
mixing_mode = 'plain'
mixing_beta = 0.7
conv_thr = 1.0d-10
/
ATOMIC_SPECIES
Mg 24.3050 Mg.pz-bhs.UPF
O 15.9994 O.pz-mt.UPF
ATOMIC_POSITIONS {crystal}
Mg 0.0 0.0 0.0
O 0.5 0.0 0.0
K_POINTS {automatic}
4 4 4 0 0 0
EOF
$BINDIR/ph.x >>ph.out08<<EOF
NaMgF3
&inputph
ldisp=.true.,
nq1=4,nq2=4,nq3=4,
tr2_ph = 1.0d-14,
amass(1)=24.3050,
amass(2)=15.9994,
outdir='$TMPDIR/',
fildyn='mgo.dyn'
/
EOF
Please Show me the ray of hope to tackle with this problem. i shall be
highly obliged to you.
Last but not least 'Happy New Year to all my Dear Developers and Users'.
--
Thanks and Regards
Bramha Prasad Pandey
Indian School of Mines(ISM)
Dhanbad, INDIA.
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