[Pw_forum] Installation ERROR
Lorenzo.Paulatto at impmc.upmc.fr
Wed Aug 31 15:32:59 CEST 2011
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
./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
> 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.
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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