[QE-users] Problems to run QE in parallel

[Paolo Giannozzi]

On Wed, Jul 11, 2018 at 4:07 PM, Anibal Bezerra <
anibal.bezerra at unifal-mg.edu.br> wrote:

>
> Is there anything else I could check for?
>
>
The only thing to be checked for is that the mpi libraries (linked by your
compiler) and run-time environment (mpirun, mpiexec, mpiwhatever) are
compatible.

Paolo


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.gm
> ail.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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-- 
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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