[Pw_forum] segmentation fault XSpectra and GIPAW

V.Sokolov vence.s at gmail.com
Thu Sep 15 11:46:02 CEST 2016


Paolo Giannozzi wrote:
> 1. is it reproducible on other machines?
> 2. what is there at line 68 of gen_us_dj.f90 and line143 of 
> xanes_dipole.f90?
>
> Paolo
>
> On Tue, May 24, 2016 at 6:48 PM, Lorenzo Donà 
> <lorechimica91 at hotmail.it <mailto:lorechimica91 at hotmail.it>> wrote:
>
>     Dear all I have configured QE 5.4 on ubuntu 12.04 in this way :
>     ./configure MPIF90=mpiifort FC=ifort F77=ifort CC=icc CXX=icpc
>     -with-internal-blas -with-intenal-lapack
>
>     and I have run PW and Phonon examples without problem but when I
>     run XSpectra examples i found 3 segmentation fault of this type
>     for diamond SiO2 NiO but not segmentation fault occurred for Cu_L23:
>     Image             PC                Routine Line        Source
>     xspectra.x         0000000000AB9319  Unknown Unknown  Unknown
>     xspectra.x         0000000000AB7BEE  Unknown Unknown  Unknown
>     xspectra.x         0000000000A60252  Unknown Unknown  Unknown
>     xspectra.x         00000000009F47D3  Unknown Unknown  Unknown
>     xspectra.x         00000000009FB9AB  Unknown Unknown  Unknown
>     libpthread.so.0   00007F336DC6F340  Unknown               Unknown
>     Unknown
>     xspectra.x         0000000000437000  xanes_dipole_ 143 
>     xanes_dipole.f90
>     xspectra.x         0000000000405E3E  MAIN__ 308  xspectra.f90
>     xspectra.x         0000000000403BA6  Unknown Unknown  Unknown
>     libc.so.6         00007F336D5B5EC5  Unknown Unknown  Unknown
>     xspectra.x         0000000000403A99  Unknown Unknown  Unknown
>     Error condition encountered during test: exit status = 174
>     Aborting
>
>

I got just the same xspectra segfault for examples NiO, SiO2_USPP and 
diamond (QE 5.4, 5.3 and 5.2, ifort, linux 4.7.2).
Dear Paolo and other developers, is it possible to fix the problem?

Thanks in advance,
V.Sokolov,
Fiber Optics Research Center, Moscow





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