Hello Arles, I had the same problem compiling espresso with intel fortran 2016, and I solved the problem compiling with parallel studio 2015 update 6.
Best regards, Michel Marcondes Physicist University of São Paulo http://lattes.cnpq.br/9541158390223884 > On Mar 9, 2017, at 06:23, Paolo Giannozzi <[email protected]> wrote: > > I don't think it is a compilation problem. There might be a mismatch > of MPI libraries. I would check that "mpirun" is consistent with the > MPI libraries (intel mpi or openmpi) you linked. In any event, it is > not a problem of QE itself > > Paolo > >> On Wed, Mar 8, 2017 at 10:26 PM, Arles V. Gil Rebaza <[email protected]> >> wrote: >> Dear QE user, i've compiled QE 6.0 using fortran intel 2016 on i7 computer >> with ubuntu 16 . >> The compilation finished fine using, >> >> ./configure --enable-parallel --with-scalapack=intel >> >> when i try to run >> >>>> mpirun -np 1 pw.in -in scf.in >> >> the calculation finish ok, but when i increase -np 2 (o more) the >> calculation only start and stop >> >> >> >> Program PWSCF v.6.0 (svn rev. 13079) starts on 8Mar2017 at 18: 1:13 >> >> This program is part of the open-source Quantum ESPRESSO suite >> for quantum simulation of materials; please cite >> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); >> URL http://www.quantum-espresso.org";, >> in publications or presentations arising from this work. More details >> at >> http://www.quantum-espresso.org/quote >> >> Parallel version (MPI), running on 2 processors >> R & G space division: proc/nbgrp/npool/nimage = 2 >> Reading input from scf.in >> >> >> >> any comment or suggestion is welcome!!! >> >> >> >> Arles V. Gil Rebaza >> IFLP - Argentina >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
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