Dear Prof. Giovanni, 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. I am heartily very much thankfull to you with Prof. Andrea.
On Tue, Jan 29, 2013 at 6:14 PM, Giovanni Pizzi <giovanni.pizzi at epfl.ch>wrote: > Dear Bramha, > 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. > > As Andrea said, try to reconfigure quantum espresso adding the > --with-internal-blas --with-internal-lapack > flags to the ./configure and then recompile everything to see if the > problem disappears. > > 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. > > For further details see for instance this link: > http://www.macresearch.org/lapackblas-fortran-106#comment-17071 > > 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). > > Best, > > Giovanni Pizzi > > > > On 01/29/2013 11:48 AM, Bramha Pandey wrote: > > Dear Sir, > I am sending my make.sys file to you. Due to executable file i have change > it name make only. > Please find the attachment. > I am very grateful for your kind help. > > On Tue, Jan 29, 2013 at 2:43 PM, Andrea Dal Corso <dalcorso at sissa.it>wrote: > >> >> On Tue, 2013-01-29 at 13:57 +0530, Bramha Pandey wrote: >> > 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. >> > >> >> Please provide your make.sys, or try to link with the internal blas and >> lapack libraries. I do not know if this apply to your case, but I have >> seen an error similar to the one that you report due to a problem with >> the blas library. find_mode_sym is just the first routine that uses >> zdotc. >> >> HTH, >> >> Andrea >> >> >> >> >> >> > 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. >> > _______________________________________________ >> > Pw_forum mailing list >> > Pw_forum at pwscf.org >> > http://pwscf.org/mailman/listinfo/pw_forum >> -- >> Andrea Dal Corso Tel. 0039-040-3787428 >> SISSA, Via Bonomea 265 Fax. 0039-040-3787249 >> I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it >> >> >> _______________________________________________ >> 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. > > > _______________________________________________ > Pw_forum mailing listPw_forum at > pwscf.orghttp://pwscf.org/mailman/listinfo/pw_forum > > > > -- > Giovanni Pizzi > Post-doctoral Research Scientist > EPFL STI IMX THEOS > MXC 340 (B?timent MXC) > Station 12 > CH-1015 Lausanne (Switzerland) > Phone: +41 21 69 31124 > > > _______________________________________________ > 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. -------------- next part -------------- An HTML attachment was scrubbed... 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