[Pw_forum] QE installation with OpenMPI

[Amer Hamzaoui]

Dear Aldo
Try this
./configure  --enable-parallel MPIF90=mpiifort --with-scalapack=intel
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Amer HAMZAOUI Departement of physics UFAS1 - ALGERIA
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    Le Mardi 24 janvier 2017 17h28, Aldo Ugolotti <a.ugolotti at campus.unimib.it> a écrit :
 

 Dear QE users,

I am trying to install QE on a parallel machine; I have already compiled 
the OpenMPI(v 2.0.1) library and tested it with some simple codes 
without problems. When I compile QE by this command:

./configure FC=mpifort F77=mpifort CC=mpicc

I get this warning message:

checking version of mpif90... gfortran gcc version 5.4.0 20160609 
(Ubuntu 5.4.0-6ubuntu1~16.04.4)
configure: WARNING: parallel compiler mpif90 uses gfortran, but serial 
compiler mpifort was detected
configure: WARNING: assuming F90=gfortran, discarding mpifort

and QE has problems in running in parallelization.

If I don't specify the compilers' flags I find no warning but I still 
have the same parallelization issue, that means that the calculation in 
not starting on the host (I can only see an orted process) and I have an 
mpirun process on the master.

Can you help me in solving this puzzle?

Thanks in advance,

-- 
Aldo Ugolotti

Department of Materials Science,
University of Milano-Bicocca,
U5, Via R. Cozzi 55,
20125 Milano, Italy.

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