[Pw_forum] Matlab call pw.x

[Sclauzero Gabriele]

Dear Lijuan,

   Please try to explain better your problem. What does it happen when you run that command within Matlab? Do you get an error message? Nothing happens? ...?
I don't think the problem is mpi, the code should work anyway on one processor. It works on my Ubuntu desktop with QE 5.0.3 and Matlab R2011b.

I would suggest to write the full path, rather than using "~".

HTH


GS

Dear Filipe,

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.

Best,
Lijuan He
PhD student in Georgia Tech


2014-03-07 18:16 GMT-05:00 Filipe Camargo Dalmatti Alves Lima <flima at if.usp.br<mailto:flima at if.usp.br>>:
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,


Dr. Gabriele Sclauzero
Materials Theory - ETHZ
ETH Zurich, HIT G 43.2
Wolfgang-Pauli-Str. 27
8093 Zürich, Switzerland

Phone +41 44 633 94 10
Fax +41 44 633 14 59
gabriele.sclauzero at mat.ethz.ch<mailto:gabriele.sclauzero at mat.ethz.ch>
www.theory.mat.ethz.ch