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Re: [abinit-forum] many atoms optimization


Chronological Thread 
  • From: jiangx3@rpi.edu
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] many atoms optimization
  • Date: Tue, 23 Mar 2010 10:15:53 -0400
  • Organization: Rensselaer Polytechnic Institute

Dear Hanyu,
What do you mean by "cluster"? Do you have any explanation website for
this? because I just learn this, I encounter many problems for the first
time.

Thank you very much!

Best regards,
Xueping Jiang

==============Original message text===============
On Sun, 21 Mar 2010 1:29:35 EDT Hanyu wrote:

you have to try to find the better cluster to calculate many atoms system.

On Fri, Mar 19, 2010 at 10:57 PM, Xenophon Krokidis
<Xenophon.Krokidis@scienomics.com> wrote:
> Hi Xueping Jiang,
>
> try to run in parallel.
>
> Regards,
>
> Xenophon
>
>
>
>
> jiangx3@rpi.edu wrote:
>
> Dear All,
>
> I am optimizing a system with 72 atoms in a supercell. With the large
> size of supercell and also many atoms inside, it is calculating really
> slowly. So Is there any way to optimize large systems faster? If someone
> has any suggestion, would you please tell me? Thanks in advance!
>
>
> Best regards,
> Xueping Jiang
>
>
>
>
>



--
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=**=-=**=-=**=-=*=-=*=-=*=-=*=-=*=-
Hanyu Liu(刘寒雨),
MS.
State key Laboratory of Superhard Materials, Jilin University, China
Email: liuhanyu08@mails.jlu.edu.cn ouuing@gmail.com

===========End of original message text===========






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