[CP2K:7218] CPU time in CP2K output

Iain Bethune ibet... at epcc.ed.ac.uk
Fri Dec 4 16:15:59 UTC 2015

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.


- Iain


Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
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> 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
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