cp2k speedup on multicore machines

Axel akoh... at gmail.com
Fri Jan 25 13:32:35 UTC 2008


befor being able to make any comments or data to compare to,
please provide more information about how you compiled cp2k.
which compiler, which flags, which libraries etc. some specs
about the hardware, particularly cpu and memory would be great, too.

these days it is not that easy to say, i have an x GHz cpu
and you have a 2x GHz cpu, so you should be running twice as fast.
same goes for multi-core. under some, unfavorable, circumstances,
the second core can be a complete waste.


On Jan 25, 12:57 am, cavallo <lcav... at unisa.it> wrote:
> I tried the QS H2O-256 benchmark, and cp2k on 2 cpus is even slower.
> 1 cpu   = 22579 secs
> 2 cpus = 24942 secs
> The em64t is equipped with 8MB of ram. Don't know if this can be a
> bottleneck with 256 waters.
> Anyone having some bechmark ? Also absolute execution time, 1 cpu is
> wellcome
> Thanks
> Luigi

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