Dear Prof. Giovanni,<br>You have made my day. Really your first advice i.e ./configure --with-internal-blas --with-internal-lapack is help me to get rid of from above error.<br> I am heartily very much thankfull to you with Prof. Andrea.<br>
<br><div class="gmail_quote">On Tue, Jan 29, 2013 at 6:14 PM, Giovanni Pizzi <span dir="ltr"><<a href="mailto:giovanni.pizzi@epfl.ch" target="_blank">giovanni.pizzi@epfl.ch</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<div>Dear Bramha,<br>
as Andrea Dal Corso already pointed out, this may be due to
incompatibilities with the linking to the blas libraries. It
appears that you are using your system-provided blas and lapack
libraries.<br>
<br>
As Andrea said, try to reconfigure quantum espresso adding the <br>
--with-internal-blas --with-internal-lapack<br>
flags to the ./configure and then recompile everything to see if
the problem disappears. <br>
<br>
In fact, there is a known incompatibility problem between the
calling convention for functions that return complex values: one
is the one used by g77/f2c, where in practice the compiler
converts such functions to subroutines with a further parameter
for the return value; gfortran instead produces a normal function
returning a value (and maybe also ifort?). If your system
libraries were compiled using g77, and you instead use gfortran
(or possibly ifort?) your code may crash or produce random
results. This typically happens with zdotc, which is one the most
commonly used complex-returning functions in blas+lapack.<br>
<br>
For further details see for instance this link:<br>
<a href="http://www.macresearch.org/lapackblas-fortran-106#comment-17071" target="_blank">http://www.macresearch.org/lapackblas-fortran-106#comment-17071</a><br>
<br>
Otherwise, another trick that you can try if you use gfortran and
you confirm that this is the problem, is to add the -ff2c flag to
all compilations with gfortran. But the best probably is to use
libraries compiled with the same compiler, or at least libraries
that are verified to work with your compiler (in your case, since
it appears that you use ifort, you may want to link to the proper
intel MKL libraries).<br>
<br>
Best,<br>
<br>
Giovanni Pizzi<div><div class="h5"><br>
<br>
<br>
On 01/29/2013 11:48 AM, Bramha Pandey wrote:<br>
</div></div></div><div><div class="h5">
<blockquote type="cite">
Dear Sir, <br>
I am sending my make.sys file to you. Due to executable file i
have change it name make only.<br>
Please find the attachment.<br>
I am very grateful for your kind help.<br>
<br>
<div class="gmail_quote">On Tue, Jan 29, 2013 at 2:43 PM, Andrea
Dal Corso <span dir="ltr"><<a href="mailto:dalcorso@sissa.it" target="_blank">dalcorso@sissa.it</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div><br>
On Tue, 2013-01-29 at 13:57 +0530, Bramha Pandey wrote:<br>
> Dear Prof. Paolo,<br>
> Thanks for your kind reply.<br>
> As per my search, i got the same error with svn
espresso (version<br>
> PHONON v.5.0.2 (svn rev. 9881)) and by espresso-5.0.2
(PHONON v.5.0.2<br>
> (svn rev. 9392)) to run the examples01 and example02.<br>
> By seeing the out put of ph.x only prints<br>
> There are 3 irreducible representations<br>
><br>
> Representation 1 2 modes - To be done<br>
><br>
> Representation 2 2 modes - To be done<br>
><br>
> Representation 3 2 modes - To be done<br>
><br>
><br>
><br>
> Alpha used in Ewald sum = 0.7000<br>
> PHONON : 1.92s CPU 2.35s WALL<br>
><br>
><br>
><br>
> Representation # 1 modes # 1 2<br>
><br>
> Self-consistent Calculation<br>
><br>
> after that at terminal the following error messages
are appeared.<br>
><br>
> running the scf calculation for Si... done<br>
> running the phonon calculation at Gamma for
Si...forrtl: severe<br>
> (174): SIGSEGV, segmentation fault occurred<br>
> Image PC Routine Line<br>
> Source<br>
> ph.x 08076447 find_mode_sym_new
145<br>
> find_mode_sym.f90<br>
> ph.x 08151582 set_irr_new_
158<br>
> set_irr.f90<br>
> ph.x 0813D510 find_irrep_
32<br>
> find_irrep.f90<br>
> ph.x 0807AB66 init_representati
103<br>
> init_representations.f90<br>
> ph.x 0804E7FF check_initial_sta
161<br>
> check_initial_status.f90<br>
> ph.x 0804B531 MAIN__
91 phonon.f90<br>
> ph.x 0804B484 Unknown
Unknown Unknown<br>
> libc.so.6 B68374D3 Unknown
Unknown Unknown<br>
> done<br>
> running the phonon calculation at X for
Si...forrtl: severe (174):<br>
> SIGSEGV, segmentation fault occurred<br>
><br>
> Stack trace terminated abnormally.<br>
> Error condition encountered during test: exit status
= 174<br>
> Aborting<br>
><br>
> As per my knowledge the error is coming at 145 lines
in<br>
> 'find_mode_sym.f90 which is DO i=1,dim_rap(igroup).<br>
> Dear Sir now i am further helpless why this is
occured as if i<br>
> compared with espresso-4.3.2(which runs without any
problem) this line<br>
> is written as DO i=1,dim_rap.<br>
><br>
<br>
</div>
</div>
Please provide your make.sys, or try to link with the internal
blas and<br>
lapack libraries. I do not know if this apply to your case,
but I have<br>
seen an error similar to the one that you report due to a
problem with<br>
the blas library. find_mode_sym is just the first routine that
uses<br>
zdotc.<br>
<br>
HTH,<br>
<br>
Andrea<br>
<div>
<div><br>
<br>
<br>
<br>
<br>
> As Prof. Dal has advised to add the patch given by
you but it also<br>
> doen't help me may be i am not able to patach it
correctly. As i<br>
> patched<br>
> <a href="mailto:bramha@bramha-Inspiron-1545:~/espresso-5.0.2$" target="_blank">bramha@bramha-Inspiron-1545:~/espresso-5.0.2$</a> patch
-p1 <<br>
> "attachment.bin" . this attachment.bin is in my
espresso-5.0.2<br>
> directory.<br>
><br>
> P.S The pw.x calculation is done perfectly. for all
the cases.<br>
><br>
> Sorry for such long message.<br>
> I am looking forward for your kind comments and help.<br>
><br>
> On Mon, Jan 28, 2013 at 2:13 AM, Paolo Giannozzi<br>
> <<a href="mailto:giannozz@democritos.it" target="_blank">giannozz@democritos.it</a>>
wrote:<br>
> it works for me. If it doesn't work for you,
please find out<br>
> why<br>
> and report<br>
><br>
> P.<br>
><br>
> On Jan 27, 2013, at 16:41 , Bramha Pandey
wrote:<br>
><br>
> > Dear all Developers and users,<br>
> > I was trying to run example01 in PHonon
subdirectory in<br>
> > espresso-5.0.2 ( PHONON v.5.0.2 (svn
rev. 9392))<br>
> > and got the following error,<br>
> > running the scf calculation for Si...
done<br>
> > running the phonon calculation at
Gamma for Si...forrtl:<br>
> severe<br>
> > (174): SIGSEGV, segmentation fault
occurred<br>
> > Image PC Routine
Line<br>
> Source<br>
> > ph.x 08076447
find_mode_sym_new 145<br>
> > find_mode_sym.f90<br>
> > ph.x 08151582
set_irr_new_ 158<br>
> > set_irr.f90<br>
> > ph.x 0813D510 find_irrep_
32<br>
> > find_irrep.f90<br>
> > ph.x 0807AB66
init_representati 103<br>
> > init_representations.f90<br>
> > ph.x 0804E7FF
check_initial_sta 161<br>
> > check_initial_status.f90<br>
> > ph.x 0804B531 MAIN__
91<br>
> phonon.f90<br>
> > ph.x 0804B484 Unknown
Unknown<br>
> Unknown<br>
> > libc.so.6 B68DE4D3 Unknown
Unknown<br>
> Unknown<br>
> > done<br>
> > running the phonon calculation at X
for Si...forrtl:<br>
> severe<br>
> > (174): SIGSEGV, segmentation fault
occurred<br>
> > Error condition encountered during test:
exit status = 174<br>
> > Aborting<br>
> > I have compiled espresso-5.0.2 with
Intel compiler and<br>
> gfortran<br>
> > both and the same error was coming.<br>
> > Any type of help is appreciated.<br>
> ><br>
> > P.S. when i was tried to run with
espresso-4.3.2 (with<br>
> gfortran),<br>
> > it was working without any error.<br>
> > --<br>
> > Thanks and Regards<br>
> > Bramha Prasad Pandey<br>
> > Indian School of Mines(ISM)<br>
> > Dhanbad, INDIA.<br>
><br>
> >
_______________________________________________<br>
> > Pw_forum mailing list<br>
> > <a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
> > <a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br>
><br>
><br>
> ---<br>
> Paolo Giannozzi, Dept of
Chemistry&Physics&Environment,<br>
> Univ. Udine, via delle Scienze 208, 33100
Udine, Italy<br>
> Phone +39-0432-558216, fax +39-0432-558222<br>
><br>
><br>
><br>
><br>
>
_______________________________________________<br>
> Pw_forum mailing list<br>
> <a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
> <a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br>
><br>
><br>
><br>
><br>
> --<br>
> Thanks and Regards<br>
> Bramha Prasad Pandey<br>
> Indian School of Mines(ISM)<br>
> Dhanbad, INDIA.<br>
> _______________________________________________<br>
> Pw_forum mailing list<br>
> <a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
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--<br>
</div>
</div>
Andrea Dal Corso Tel. 0039-040-3787428<br>
SISSA, Via Bonomea 265 Fax. 0039-040-3787249<br>
I-34136 Trieste (Italy) e-mail: <a href="mailto:dalcorso@sissa.it" target="_blank">dalcorso@sissa.it</a><br>
<div>
<div><br>
<br>
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</div>
</div>
</blockquote>
</div>
<br>
<br clear="all">
<br>
-- <br>
Thanks and Regards<br>
Bramha Prasad Pandey<br>
Indian School of Mines(ISM)<br>
Dhanbad, INDIA.<br>
<br>
<fieldset></fieldset>
<br>
<pre>_______________________________________________
Pw_forum mailing list
<a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a></pre>
</blockquote>
<br>
<br>
</div></div><span class="HOEnZb"><font color="#888888"><pre cols="72">--
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 340 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31124</pre>
</font></span></div>
<br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><br>-- <br>Thanks and Regards<br>Bramha Prasad Pandey<br>Indian School of Mines(ISM)<br>
Dhanbad, INDIA.<br>