[Pw_forum] Problem with parallel QE-5.0.2 on workstation
elliotsmenkah at yahoo.com
Fri Sep 12 20:51:49 CEST 2014
Thank you for the information but how do I make my mpi-aware compiler
take care of it please.
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
> 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
>> 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
>> 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.
>> These are the configuration and Install steps I did for the
>> 1. ./configure --prefix /usr
>> 2. sudo make -j4 all install
>> and when it was done, I moved into my espresso directory to do the
>> 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: *** [fft_custom.o] Error 1
>> make: Leaving directory
>> make: *** [mods] Error 2
>> Can you please help me out in a step-by-step procedure.
>> Thank you.
>> Kind Regards,
>> Elliot S. Menkah
>> Research Student - Computational Chemistry/ Computational Material Science
>> Theoretical and Computational Chemistry
>> Dept. of Chemistry
>> Kwame Nkrumah UNiversity of Sci. and Tech.
>> Tel: +233 243-055-717
>> Alt Email: elliotsmenkah at gmail.com
>> elliotsmenkah at hotmail.com
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
Elliot S. Menkah
Research Student - Computational Chemistry/ Computational Material Science
Theoretical and Computational Chemistry
Dept. of Chemistry
Kwame Nkrumah UNiversity of Sci. and Tech.
Tel: +233 243-055-717
Alt Email: elliotsmenkah at gmail.com
elliotsmenkah at hotmail.com
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