[QE-users] Problems to run QE in parallel

Paolo Giannozzi p.giannozzi at gmail.com
Tue Jul 10 22:54:57 CEST 2018


If you link intel mpi, you should use the version of "mpirun" provided by
intel to run the parallel code

Paolo

On Tue, Jul 10, 2018 at 8:02 PM, Anibal Bezerra <
anibal.bezerra at unifal-mg.edu.br> wrote:

> Dear all,
>
> I'm new on Quantum Espresso and I'm in trouble with configuring it to run
> in parallel. I've installed the mpich MPI and added the bin path to bashrc
> file. I've tested the MPI and it's working fine. However, after
> successfully configuring QE, detecting parallel environment, I've tried to
> run an example using mpiexec command (mpiexec -n 10...), and I got
>
> Parallel version(MPI), running on    1 processors
> MPI processes distributed on     1 nodes.
>
> Replicated 10 times on the out file.
>
> I've tried Intel's MPI, the same occurred. I've tried explicitly give the
> MPI's path to the configure without success.
>
> I really don't know how to proceed.
>
> Thanks in advance!
>
>
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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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