The ABINIT Users Mailing List ( CLOSED )

["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi,

I'm quite surprised. I was so sure one can run bandfft parallelized
jobs with PAW. Sorry for misleading you.

regards

PMA

On Mon, Jun 9, 2008 at 8:33 PM, Xuan Luo <xuan.us@gmail.com> wrote:
> Hi PMA,
>
> Thank you for your help. It is a good resource for me to learn new features
> of ABINIT. I compiling ABINIT with the band fft parallelization. However, I
> found it is limited to  "No spin-polarization, No PAW calculations."
>
> It didn't fit my needs,  and I hope it will in the near future.
>
> Keep helping!
>
> Rose
>
> On Sat, Jun 7, 2008 at 7:15 AM, Anglade Pierre-Matthieu <anglade@gmail.com>
> wrote:
>>
>> Hi,
>>
>> I guess I can't understand  correctly your question. However if you
>> really don't want to try by yourself (compiling Abinit with the band
>> fft parallelization enabled and running your PAW case) you may want to
>> read one or another presentation using it. For instance, you'll find
>> it used in the slides of F. Bottin on this page :
>> http://www.abinit.org/workshop_07/program.html
>> Or you may prefer reading directly the code (?) here :
>>
>> http://www.abinit.org/package/robodoc/18seqpar/lobpcgccwf_F90.html#robo_top_of_doc
>> http://www.abinit.org/package/robodoc/18seqpar/lobpcgwf_F90.html#robo617
>> ...
>>
>> Hope this fits your needs ?
>>
>> regards
>>
>> PMA
>> On Fri, Jun 6, 2008 at 8:24 PM, Xuan Luo <xuan.us@gmail.com> wrote:
>> > Thank you for your reply.
>> > But what's your point?
>> > It is true that band-by-band parallelization is available for some
>> > simple
>> > cases.
>> > However, my question is whether it is available for PAW since CG
>> > algorithm
>> > couldn't be used in PAW.
>> >
>> > Please reply me if you know the answer.
>> >
>> > Thanks!
>> >
>> > On Fri, Jun 6, 2008 at 10:26 AM, Anglade Pierre-Matthieu
>> > <anglade@gmail.com>
>> > wrote:
>> >>
>> >> Yes it is. For more information please have a look at :
>> >> http://www.abinit.org/Infos_v5.5/tutorial/lesson_parallelism.html.
>> >>
>> >> regards
>> >>
>> >> PMA
>> >>
>> >>
>> >> On Fri, Jun 6, 2008 at 2:20 PM, Xuan Luo <xuan.us@gmail.com> wrote:
>> >> > Dear All,
>> >> >
>> >> > Could you please confirm band-by-band parallelization is available
>> >> >  for
>> >> > PAW?
>> >> >
>> >> > It seems that only CG algorithm can do band-by-band parallelization.
>> >> >
>> >> > Thank you for your input.
>> >> >
>> >> > Rose
>> >> >
>> >>
>> >>
>> >>
>> >> --
>> >> Pierre-Matthieu Anglade
>> >
>> >
>>
>>
>>
>> --
>> Pierre-Matthieu Anglade
>
>



-- 
Pierre-Matthieu Anglade