[Pw_forum] espresso 4.3.1 - segmentation fault in file set_irr.f90

Meenakshi Sundaram meenakshis at jncasr.ac.in
Thu Jun 2 13:18:02 CEST 2011


Dear All,
I am trying to run a phonon calculation using the following input file
for ph.x

phonon at all dynpoints
&inputph
tr2_ph=1.0d-14,
prefix='SrSnO3',
ldisp=.true.,
nq1=4, nq2=4, nq3=4,
amass(1)=87.62,
amass(2)=118.710,
amass(3)=15.9994,
outdir='/home/test/omkar/phonon/tmp',
fildyn='SrSnO3.dynpoint',
/

The error is pasted below:
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
ph.x 0000000000454B53 set_irr_ 292
set_irr.f90
ph.x 0000000000428ACB init_representati 91
init_representations.f90
ph.x 00000000004083EB check_initial_sta 156
check_initial_status.f90
ph.x 00000000004050E0 MAIN__ 89
phonon.f90
ph.x 000000000040502C Unknown Unknown Unknown
libc.so.6 0000003249C1D994 Unknown Unknown Unknown
ph.x 0000000000404F39 Unknown Unknown Unknown

When I tried using a lower version 4.0.4 it ran fine.

A couple of other observations. When I lowered or increased the size of
the q point mesh, the program executed without any problems in 4.3.1

I also tried localizing the problem, and I find that the 15th element of
num_rap_mode array gets some strange value of -1 after a call to
find_mode_sym.

Hope this information would be useful. If you need the input file for
pw.x please let me know.

Thank you for any help.

Regards
M. Meenakshi Sundaram
R&D Assistant
JNCASR



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