[Pw_forum] Matlab call pw.x
helijuan130 at gmail.com
Tue Mar 11 16:19:33 CET 2014
Thanks. I do have mpi installed. But I still cannot use Matlab to call pw.x
directly. Instead I use Matlab to submit the job file. It works now. But
the thing is that I need to make Matlab wait till the job finish.
PhD student in Georgia Tech
2014-03-07 18:16 GMT-05:00 Filipe Camargo Dalmatti Alves Lima <
flima at if.usp.br>:
> Do you have mpi installed in machine?
> type it in terminal:
> locate mpirun
> it should give you something like:
> Regardless your linux provides a mpirun by default, I suggest you to
> install it by yourself:
> 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.
> 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.
>> Lijuan He
>> Ph.D student in Georgia Tech
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
> 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)
> Pw_forum mailing list
> Pw_forum at pwscf.org
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