[CP2K:5789] Re: CP2K running slow

[Tanmoy Paul]

Thanks Samuel and Juerg for your inputs .

On Wed, Oct 29, 2014 at 3:32 PM, <hut... at chem.uzh.ch> wrote:

> Hi
>
> yes, check the timing information at the end of a short run.
> This will give some information on possible problems.
>
> You should also change the EWALD method from PME to SPME.
>
> regards
>
> Juerg
> --------------------------------------------------------------
> Juerg Hutter                         Phone : ++41 44 635 4491
> Institut für Chemie C                FAX   : ++41 44 635 6838
> Universität Zürich                   E-mail: hut... at chem.uzh.ch
> Winterthurerstrasse 190
> CH-8057 Zürich, Switzerland
> ---------------------------------------------------------------
>
> -----cp... at googlegroups.com wrote: -----
> To: cp... at googlegroups.com
> From: Samuel Andermatt
> Sent by: cp... at googlegroups.com
> Date: 10/29/2014 10:45AM
> Subject: [CP2K:5788] Re: CP2K running slow
>
> Sadly I do not know what exactly the reason for the performance issue is.
> An additional method to figure out the problem would be to make a short run
> and at the end of the output you will see the timings. It will give some
> information about the performance bottlenecks.
>
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