[Pw_forum] Problem with parallel QE-5.0.2 on workstation

[Elliot Menkah]

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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