[Pw_forum] Problem with parallel QE-5.0.2 on workstation

[Elliot Menkah]

Hello Paolo,
Thank you for the information but how do I make my mpi-aware compiler
take care of it please.

Thank you.


On 09/11/2014 11:51 AM, Paolo Giannozzi wrote:
> 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
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
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-- 
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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