Dear Dr. Paolo Giannozzi Thank you for fixing this issue. After checking the make.sys file absolutely the same is found and corrected now. Now it is doing well for me.
On Fri, Apr 5, 2013 at 4:23 PM, Paolo Giannozzi <paolo.giannozzi at uniud.it>wrote: > On Fri, 2013-04-05 at 14:31 +0530, Krishna chaitanya wrote: > > > configure:3970: WARNING: parallel compiler mpif90 uses gfortran, but > > serial compiler ifort was detected > > configure:3972: WARNING: assuming F90=gfortran, discarding ifort > > so it's compiled with gfortran, not intel. Recently I have heard about > a potential problem with gfortran+MKL that might explain your error. > Go into the make.sys file, locate line starting with "BLAS_LIBS". > If it looks like this: > BLAS_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core > change it as follows > BLAS_LIBS = -lmkl_gf_lp64 -lmkl_sequential -lmkl_core > remove all executable (*.x) files, recompile > > P. > -- > Paolo Giannozzi, Dept. 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 > -- With Best Regards Dr. G. Krishna Chaitanya Assistant Professor School of Chemical Sciences SRTM University Nanded-431 606 India. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130408/3c894d32/attachment.html
