[Pw_forum] QE 6.0 compilation problem

[Michel Marcondes]

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 <p.giannozzi at gmail.com> 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 <arvifis at gmail.com> 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
>> 
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> 
> 
> 
> -- 
> 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
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