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["Xuan Luo" <xuan.us@gmail.com>]

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