Re: [Pw_forum] QE-GPU

[Filippo Spiga]

Dear Yelena,

On Dec 30, 2014, at 9:12 PM, yelena  wrote:
> Just to be sure, QE-GPU supports only up to 3.5 architecture?

QE fully supports 2.x and 3.x. Compute capability 1.3 may still work but there 
are not that much cards around, consider it deprecated. Compute Capability 3.5 
(K20, K40, K80) is the best.


> I've recently had opportunity to test some new nvidia cards (5.0 and 
> 5.2) but as I've tried to compile QE i've saw it is not supported.
> Is there any workaround? Patch maybe? I was so excited to test them 
> with QE :)

Maxwell architecture is not optimized for double precision (or FP64). If you 
really want to give it a try drop me an email tomorrow or Friday and I will let 
you know what files you have to change after run the configure (I am curious as 
well and I will be surprised if Maxwell is better than Kepler!) 

Have a nice New Year's eve and New Year's Day.

Cheers,
Filippo

--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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[Pw_forum] WEIGHT OF Q POINTS IN PHONON CALCULATION

[Umesh Roy]

Dear All,
  Can anybody help me for the following cases
 1. What is the role of nq (specified weight of q points for a particular q
point) if we want to calculate phonons along a particular direction?
 2. In case if I don't want to use weight of  q points , how one can
calculate phonons at a list of q points along a particular direction?


Thankyou

Umesh Chandra Roy
Ph.d Scholar, School of Physical Sciences
Jawaharlal Nehru University, New Delhi
India 110067
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