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 > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
