[Pw_forum] error in find_mode_sym.f90

Bramha Pandey pandey.bramha at gmail.com
Tue Jan 29 09:27:56 CET 2013


Dear Prof. Paolo,
Thanks for your kind reply.
As per my search, i got the same error with svn espresso (version PHONON
v.5.0.2 (svn rev. 9881)) and by espresso-5.0.2 (PHONON v.5.0.2 (svn rev.
9392)) to run the examples01 and example02.
By seeing the out put of ph.x only prints
There are   3 irreducible representations

     Representation     1      2 modes -  To be done

     Representation     2      2 modes -  To be done

     Representation     3      2 modes -  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     1.92s CPU         2.35s WALL



     Representation #  1 modes #   1  2

     Self-consistent Calculation

after that at terminal the following error messages are appeared.

 running the scf calculation for Si... done
  running the phonon calculation at Gamma for Si...forrtl: severe (174):
SIGSEGV, segmentation fault occurred
Image              PC        Routine            Line
Source
ph.x               08076447  find_mode_sym_new         145
find_mode_sym.f90
ph.x               08151582  set_irr_new_              158  set_irr.f90
ph.x               0813D510  find_irrep_                32  find_irrep.f90
ph.x               0807AB66  init_representati         103
init_representations.f90
ph.x               0804E7FF  check_initial_sta         161
check_initial_status.f90
ph.x               0804B531  MAIN__                     91  phonon.f90
ph.x               0804B484  Unknown               Unknown  Unknown
libc.so.6          B68374D3  Unknown               Unknown  Unknown
 done
  running the phonon calculation at X for Si...forrtl: severe (174):
SIGSEGV, segmentation fault occurred

Stack trace terminated abnormally.
Error condition encountered during test: exit status = 174
Aborting

As per my knowledge the error is coming at 145 lines in 'find_mode_sym.f90
which is DO i=1,dim_rap(igroup).
Dear Sir now i am further helpless why this is occured as if i compared
with espresso-4.3.2(which runs without any problem) this line is written as
DO i=1,dim_rap.

As Prof. Dal has advised to add the patch given by you but it also doen't
help me may be i am not able to patach it correctly. As i patched
bramha at bramha-Inspiron-1545:~/espresso-5.0.2$  patch -p1 < "attachment.bin"
. this attachment.bin is in my espresso-5.0.2 directory.

P.S The pw.x calculation is done perfectly. for all the cases.

Sorry for such long message.
I am looking forward for your kind comments and help.

On Mon, Jan 28, 2013 at 2:13 AM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> it works for me. If it doesn't work for you, please find out why
> and report
>
> P.
>
> On Jan 27, 2013, at 16:41 , Bramha Pandey wrote:
>
> > Dear all Developers and users,
> > I was trying to run example01 in PHonon subdirectory in
> > espresso-5.0.2 ( PHONON v.5.0.2 (svn rev. 9392))
> > and got the following error,
> > running the scf calculation for Si... done
> >   running the phonon calculation at Gamma for Si...forrtl: severe
> > (174): SIGSEGV, segmentation fault occurred
> > Image              PC        Routine            Line        Source
> > ph.x               08076447  find_mode_sym_new         145
> > find_mode_sym.f90
> > ph.x               08151582  set_irr_new_              158
> > set_irr.f90
> > ph.x               0813D510  find_irrep_                32
> > find_irrep.f90
> > ph.x               0807AB66  init_representati         103
> > init_representations.f90
> > ph.x               0804E7FF  check_initial_sta         161
> > check_initial_status.f90
> > ph.x               0804B531  MAIN__                     91  phonon.f90
> > ph.x               0804B484  Unknown               Unknown  Unknown
> > libc.so.6          B68DE4D3  Unknown               Unknown  Unknown
> >  done
> >   running the phonon calculation at X for Si...forrtl: severe
> > (174): SIGSEGV, segmentation fault occurred
> > Error condition encountered during test: exit status = 174
> > Aborting
> > I have compiled espresso-5.0.2 with Intel compiler and gfortran
> > both and the same error was coming.
> > Any type of help is appreciated.
> >
> > P.S. when i was tried to run with espresso-4.3.2 (with gfortran),
> > it was working without any error.
> > --
> > Thanks and Regards
> > Bramha Prasad Pandey
> > Indian School of Mines(ISM)
> > Dhanbad, INDIA.
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



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