[CP2K:7218] CPU time in CP2K output

[Iain Bethune]

Hi Yannis,

All of the CP2K timing outputs are in wall-clock time i.e. how much time has elapsed.  They do not measure CPU time i.e. how much time the CP2K process has been running on the CPU(s), and they are not multiplied up by the number of cores.  So for MD a step with CPU TIME = 100s means that step took 100s, irrespective of the number of processors that were used.

Cheers

- Iain

--

Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
Twitter: @IainBethune @PrimeGrid @CP2Kproject
Web: http://www2.epcc.ed.ac.uk/~ibethune
Tel/Fax: +44 (0)131 650 5201/6555
Mob: +44 (0)7598317015
Addr: 2404 JCMB, The King's Buildings, Peter Guthrie Tait Road, Edinburgh, EH9 3FD

> On 4 Dec 2015, at 16:09, iskarmou <dcya... at hotmail.com> wrote:
> 
> Dear all,
> 
> I am trying to do some tests in order to find the optimum
> number of cores for my parallel CP2K calculations.
> In the output, together with the energy, temprature, etc
> there is the instantaneous and average value of CPU TIME(s).
> Is it CPU TIME per core or not?
> 
> Best regards
> 
> Yannis
> 
> 
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at http://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.


-- 
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.