[Pw_forum] problem with bands.x

[Krishna chaitanya]

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
>
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>



-- 
With Best Regards

Dr. G. Krishna Chaitanya
Assistant Professor
School of Chemical Sciences
SRTM University
Nanded-431 606
India.
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