[Pw_forum] question on parallelism options and scaling factor

[pascal boulet]

Dear Paolo,

Thank you for your quick answer.

All the best,
Pascal



Le 06/02/2013 10:17, Paolo Giannozzi a écrit :
> On Feb 5, 2013, at 22:12 , pascal boulet wrote:
>
>> I guess the best thing to do is to parallelize the calculation on
>> the bands
> "band" parallelization is currently implemented only for some
> specific cases.
> Same for "image" parallelization.
>
> There is no quick and easy answer to your question. Your calculation is
> relatively small, so you should likely exploit k-point (-npool 4) and
> FFT
> parallelization, using a few processors. How many it depends upon the
> size of your FFT grids. Here some explanations:
>     http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/tutorial_para.pdf
> See also the general user guide, chapter 3:
>     http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/
> and the user guide for PWscf, sec. 4.4 and 4.5:
>     http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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>

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