[Pw_forum] Problem with parallel QE-5.0.2 on workstation

[Paolo Giannozzi]

There is some mismatch in your MPI configuration, I guess.
"mpi_max" is defined in file mpif.h, part of the MPI library,
that is included in file Modules/parallel_include.f90. Your 
mpi-aware compiler should take care of it

P.

On Wed, 2014-09-10 at 10:15 -0400, Elliot Menkah wrote:
> Hi Everyone,
> I'm trying to compile a parallel version of Quantum Espresso(QE)
> version  5.0.2 on the my i7 laptop and also later do that on quad core
> desktops.
> 
> I already know how to compile it in its serial form but I want it in
> parallel so I read around and followed a few posts but I have some few
> problems in getting it done.
> 
> I'm using ubuntu 14.04 LTS and I have installed gfortran
> 
> Openmp:
> I've compiled openmp on the system and it runs well. I have even tried
> to compile some of the example codes(hello_c.c) and run them and I'm
> successful with that.
> 
> FFTW:
> These are the configuration and Install steps I did for the
> fftw-3.3.4:
> 1.    ./configure --prefix /usr
> 2.     sudo make -j4 all install
> 
> and when it was done, I moved into my espresso directory to do the
> following:
> 
> Quantum Espresso:
> 1.    ./configure --prefix=/home/elliot/espresso-para/espresso-5.0.2/
> --with-internal-blas  --with-internal-lapack --with-scalapack
> --enable-openmp --enable-parallel  FFT_LIBS=/usr/lib/libfftw3.a
> 
> 2.    make all
> 
> But when I invoke make all, I get the error below:
> 
> Error: Symbol 'mpi_max' at (1) has no IMPLICIT type
> make[1]: *** [fft_custom.o] Error 1
> make[1]: Leaving directory
> `/home/elliot/espresso-para/espresso-5.0.2/Modules'
> make: *** [mods] Error 2
> 
> Can you please help me out in a step-by-step procedure.
> 
> Thank you.
> 
> Kind Regards,
> 
> Elliot
> -- 
> Elliot S. Menkah
> Research Student - Computational Chemistry/ Computational Material Science
> Theoretical and Computational Chemistry
> Dept. of Chemistry
> Kwame Nkrumah UNiversity of Sci. and Tech.
> Kumasi
> Ghana
> 
> Tel: +233 243-055-717
> 
> Alt Email: elliotsmenkah at gmail.com
>            elliotsmenkah at hotmail.com
> 
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222