[Pw_forum] Matlab call pw.x

[Filipe Camargo Dalmatti Alves Lima]

Do you have mpi installed in machine?

type it in terminal:

locate mpirun

it should give you something like:

/usr/local/openmpi/bin/mpirun
/usr/local/openmpi/share/man/man1/mpirun.1

Regardless your linux provides a mpirun by default, I suggest you to
install it by yourself:

http://www.open-mpi.org/

You'll have more control over the settings.

I.M.H.O.: you should use the matlab to write files you need, then run the
job in terminal.

Best,






On Fri, Mar 7, 2014 at 1:30 PM, Lijuan He <helijuan130 at gmail.com> wrote:

> Dear everyone,
>
> I am trying to use Matlab to call pw.x but it does not work. My command
> line is
> system('~/espresso/bin/pw.x< ~/debug/H2+H.in >H2+H.out'). I know it
> probably because I need to first run mpi then call pw.x. But I cannot find
> the mpi. Anyone knows how to do this. Thanks very much.
>
> Best,
> Lijuan He
> Ph.D student in Georgia Tech
>
> _______________________________________________
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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
_________________________________________
Filipe Camargo Dalmatti Alves Lima
PhD Student
University of São Paulo, Physics Institute, Materials Physics Department,
Nanomol Group, Brazil.
Phones:    (11) 3091-6881  (USP)
                (11) 97408-2755 (Vivo)
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