[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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