[Q-e-developers] TARGET data structures in "Modules/recvec.f90"

Paolo Giannozzi giannozz at democritos.it
Wed Apr 25 16:56:56 CEST 2012


On Apr 25, 2012, at 16:38 , Lorenzo Paulatto wrote:

> I don't know the answer, but if you remove the ALLOCATABLE attribute

the TARGET attribute, I guess

> and  compile, the compiler will complain if they are POINTed anywhere

I agree: experiment beats theory also in computer science. As a rule,  
arrays
should be allocatable, not pointer, and have no attribute, unless  
there is a
reason for this. A typical reason is the presence of two arrays that  
may be
the same in some cases (e.g. single FFT grid), may be different in other
cases (e.g. double grid). In the former case, one array points to the  
other
and some memory is spared. Not sure it is a great idea, but I do not  
think
it is a bad one either.

P.

>
> On Wed, 25 Apr 2012 16:35:12 +0200, Filippo Spiga
> <spiga.filippo at gmail.com> wrote:
>
>> Dear QE Developers,
>>
>> I wonder if someone knows if data structures like "g" and "mill" in
>> "Modules/recvec.f90" have to be TARGET. Do we use them explicitly as
>> pointers somewhere in the code? Can we revert them as simple  
>> ALLOCATABLE
>> data structure?
>>
>> I performed a search but… well… there are many and many lines of  
>> code in
>> QE and my search did not get all the answer I was looking for…
>>
>> Cheers,
>> F.
>>
>> --
>> Filippo SPIGA
>>
>> «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
>>
>
>
> -- 
> Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris  
> Cédex 05
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---
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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