[QE-users] Problems to run QE in parallel

Anibal Bezerra anibal.bezerra at unifal-mg.edu.br
Wed Jul 11 16:07:11 CEST 2018


Dear Paulo,

Thanks a lot for the quick response!! Even using the command "mpirun" when
I complied QE using Intel's MPI, I got the same output.

I've started the compiling and making process from the beginning, after
uninstalled Intel's MPI, Mpich, installed Mpich's MPI again re-configured
QE. When I tried to run the silicon test, using both "mpiexec" and "mpirun"
I got replicated

Parallel version(MPI), running on    1 processors
MPI processes distributed on     1 nodes.

Is there anything else I could check for?

Thanks again!!

Anibal

Message: 5
Date: Tue, 10 Jul 2018 22:54:57 +0200
From: Paolo Giannozzi <p.giannozzi at gmail.com>
To: Quantum Espresso users Forum <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] Problems to run QE in parallel
Message-ID:
        <CAPMgbCuL9-dPJZXdOxnDYNrsfa_U3O1__8n8sCi81-UJ6dNAUg at mail.gmail.com>
Content-Type: text/plain; charset="utf-8"

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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