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 Z?rich, 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
