The ABINIT Users Mailing List ( CLOSED )

[Nico Mittenzwey <nico.mittenzwey@s2001.tu-chemnitz.de>]

pratik_8mar@yahoo.com wrote:
> we are buying computer system(Intel xeon processor based workstation) for ab initio calculations. 
> so which will work better ? multicore(dual core / quad core) or single core processor?
> my system will be of  about 30 atoms - optical properties using TDDFT .

The more cores you have the faster abinit ( in the case of a multicore 
you should use abinip ) will run.

You can also just start n different calculations with abinit 	 
simultaneously where n is the number of your cores (just have enough 
memory available).

regards
Nico