[Pw_forum] Installation ERROR

[Lorenzo Paulatto]

On Wed, 31 Aug 2011 15:18:35 +0200, Raghuvir R S Pissurlenkar  
<raghuvir at bcpindia.org> wrote:
> I am trying to compile with Intel Compilers (Intel Compose XE 12 the  
> free version) but I recieve an error during configuration, that the
>
> configure: WARNING: parallel compiler mpif90 uses gfortran, but serial  
> compiler ifort was detected
> configure: WARNING: assuming F90=gfortran, discarding ifort
>
> I believe this is not good; So I am trying to download Intel Parallel  
> Studio (Is this the one that will help solve the problem for mpi90 issue  
> ??)


The message says that the compiler used to compile openmp is gfortran: if  
you want to compile the parallel versione of QE you must use the same. If  
you want to compile QE in parallel with ifort you have only one possible  
solution: recompile openmp with ifort and reinstall it.

If I remember correctly, this is done by running the openmp configure like  
this:
./configure CC=icc CXX=icpc F77=ifort FC=ifort

> Also Since I have installed the MKL libraries now the configuration shows
>
> The following libraries have been found:
>   BLAS_LIBS=  -lmkl_intel_lp64  -lmkl_sequential -lmkl_core
>   LAPACK_LIBS=
>   FFT_LIBS=
>
> I mean the libraries that have come with QE are not used. Is that fine  
> or do I specify them too ??


This is fine: mkl libraries are normally way faster than the included  
plain BLAS/LAPACK libraries.

If possible, I would suggest you contact directly some experience person  
at your institution to help you with the compilation.

Finally please provide your affiliation (institution/function) when  
writing this mailing list, it is just to keep track of our user base.

best regards


-- 
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05