[CP2K:5775] CP2K running slow

Michael Banck mba... at debian.org
Thu Oct 30 09:58:26 UTC 2014


On Tue, Oct 28, 2014 at 07:10:43AM -0700, Tanmoy Paul wrote:
>                             I am new to this field . I have installed cp2k 
> using "sudo apt-get install cp2k" .

So you are using a prepackaged version.  Which distribution, which
version of that distribution and on which architecture?

The packaged versions have to run on as many configurations as possible,
so are not highly optimized.  It might make sense to look into compiling
CP2K yourself if the performance is not acceptable.


Michael



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