[Pw_forum] Problem with parallel QE-5.0.2 on workstation
paolo.giannozzi at uniud.it
Thu Sep 11 13:51:49 CEST 2014
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
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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
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