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Re: [abinit-forum] many atoms optimization


Chronological Thread 
  • From: Xenophon Krokidis <Xenophon.Krokidis@scienomics.com>
  • To: jiangx3@rpi.edu
  • Cc: forum@abinit.org
  • Subject: Re: [abinit-forum] many atoms optimization
  • Date: Fri, 19 Mar 2010 15:57:36 +0100
  • Organization: Scienomics

Title: Signature text
Hi Xueping Jiang,

try to run in parallel.

Regards,

Xenophon




jiangx3@rpi.edu wrote:
201003191426.o2JEQDee021056@smtp6.server.rpi.edu" type="cite">
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




  
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