[Pw_forum] Parallel configure does not work

[jorge.gallardo at cab.cnea.gov.ar]

Hello All!

I'm trying to compile Quantum Espresso with the new "Intel® Fortran
Composer XE for Linux" (formerly Intel® Fortran Compiler) with the OpenMPI
libraries previously installed, on an Intel i7 multicore processor
machine. But when I try

 ./configure LIBDIRS= "/opt/intel/mkl/lib/intel64
/usr/lib/openmpi/lib/openmpi"

where

/opt/intel/mkl/lib/intel64

and

/usr/lib/openmpi/lib/openmpi

are respectively the folders where mkl and open-mpi libraries are, I get

"
...

MKL not found
in /usr/lib/openmpi/lib/openmpi: checking for library containing dgemm... no
MKL not found
in /opt/intel/mkl/lib/intel64: checking for library containing dgemm...
-lmkl_intel_lp64
checking for library containing dspev... none required
setting BLAS_LIBS... -L/opt/intel/mkl/lib/intel64 -lmkl_intel_lp64
-lmkl_sequential -lmkl_core
setting LAPACK_LIBS...
checking for library containing dfftw_execute_dft... no
in /usr/lib/openmpi/lib/openmpi: checking for library containing
dfftw_execute_dft... no
in /opt/intel/mkl/lib/intel64: checking for library containing
dfftw_execute_dft... no
in /usr/local/lib: checking for library containing dfftw_execute_dft... no

...

checking for library containing mpi_init... no
setting MPI_LIBS...
checking for library containing mpi_init... (cached) no

...

The following libraries have been found:
  BLAS_LIBS=-L/opt/intel/mkl/lib/intel64 -lmkl_intel_lp64 
-lmkl_sequential -lmkl_core
  LAPACK_LIBS=
  FFT_LIBS=
Please check if this is what you expect.

...

Parallel environment not detected \(is this a parallel machine?\).\
Configured for compilation of serial executables.

...
"

meaning, I think, that only a few mkl-library-files where found and none
of open-mpi, so the parallel compilation is not posible with this
configuration.

Have you any idea how can I tell properly to the configuration script,
where the open-mpi, and intel-mkl-library-files are, in order to compile
for a parallel machine?


Tank you in advance!


____

Lic. Jorge A. García Gallardo
Materiales Metalicos y Nanoestructurados
TeMaDi
Bariloche Atomic Center
CNEA