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 & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
