[Pw_forum] Parallel configure does not work

[GAO Zhe]

Put your MPI binary directory into environment variable.
For example, if your OpenMPI installed at ~/OpenMPI, then you can add PATH=$PATH:~/OpenMPI/bin into the end of file ~/.bashrc and re-config QE again.
BTW: it may be better that OpenMPI was also compiled by ifort.




At 2011-04-16 04:33:22，jorge.gallardo at cab.cnea.gov.ar wrote:

>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
>
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>Pw_forum at pwscf.org
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