[CP2K:632] cp2k speedup on multicore machines

Nichols A. Romero naro... at gmail.com
Thu Jan 24 14:34:23 UTC 2008

It all depends on the sysetm size. Larger system sizes will scale better in

On Jan 24, 2008 9:12 AM, cavallo <lcav... at unisa.it> wrote:

> Dear All,
> I just started to work with cp2k, and I would like to know the speedup
> I can expect with cp2k on dual-core em64t and opteron machines.
> I tested a simple job on an em64t. Running on 2 cpus the speedup is
> 1.07 instead of 2. Going up to 4 cpus the speedup is 1.28 instead of
> 4.  Teo Laino was kind enough to test my input on a Cray, and he got a
> speedup of 1.50 on 2 cpus, and 2.79 on 4 cpus, which is definitely
> better.
> Since this is my first cp2k installation, I would like to know if the
> speedup I got is in line with other people experience on em64t and
> opterons multicore machines (I hope not), or I have to work to compile
> a better executable (in the case any tip is very wellcome). There's no
> problem of memory or hd access, since two serial jobs running
> simultaneously are not slowed down.
> So far, I compiled cp2k on a fedora 7, intel 10.0.025, intel-mkl
> libraries, and gcc compiled fftw3 and mpich2.
> Thanks,
> Luigi
> >

Nichols A. Romero, Ph.D.
DoD User Productivity Enhancement and Technology Transfer (PET) Group
High Performance Technologies, Inc.
Reston, VA
443-567-8328 (C)
410-278-2692 (O)
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