cp2k speedup on multicore machines

[Matt W]

Do you have an example of any code running well on 2 cores?

Matt

On Jan 26, 7:31 pm, cavallo <lcav... at unisa.it> wrote:
> Thanks to all.
>
> Yes, 8MB is a typo, the machine is 8GB ram. It is a HP proliant dl140,
> with 2 em64t Intel Xeon CPU 5160  @ 3.00GHz from /proc/cpuinfo.
>
> This is the kernel/compilers/libraries I used to compile cp2k, and
> after this you can find the compiling options I used.
> I preparred a mpich2 machine file as
> 10.10.10.119 cpu=2   or  with two lines with the ip, and after I
> mpdboot -n 2 -f mpi.file I see this with ps x.
>
> python2.5 /home/programs/mpich2/64/1.0.6p1/bin/mpd.py --ncpus=2 -e -d
>
> Any idea ?
> Thanks,
> Luigi
>
> Linux k119 2.6.21-1.3194.fc7 #1 SMP Wed May 23 22:47:07 EDT 2007
> x86_64 x86_64 x86_64 GNU/Linux
> gcc version 4.1.2 20070925 (Red Hat 4.1.2-27)
> ifort Build 20070613 Package ID: l_fc_c_10.0.025
> intel mkl 10.0.1.014
> fftw-3.1.2
> mpich2-1.0.6p1
>
> INTEL_INC= /home/programs/intel/64/fce/10.0.025/include/
> FFTW3_INC= /home/programs/fftw3/em64t/include/
>
> MKL_LIB=   /home/programs/intel/64/mkl/10.0.1.014/lib/em64t/
> FFTW3_LIB= /home/programs/fftw3/em64t/lib/
>
> CC       = cc
> CPP      =
> FC       = mpif90
> LD       = mpif90
> AR       = ar -r
> DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -
> D__FFTW3
> CPPFLAGS =  -I$(INTEL_INC) -I$(FFTW3_INC)
> FCFLAGS  = $(DFLAGS) -I$(INTEL_INC)  -I$(FFTW3_INC) -O3 -xW -heap-
> arrays 64 -funroll-loops -fpp -free
> LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC) -L$(MKL_LIB)
>
> LIBS     = $(MKL_LIB)/libmkl_scalapack.a \
>            $(MKL_LIB)/libmkl_blacs.a \
>            $(MKL_LIB)/libmkl_em64t.a \
>            $(MKL_LIB)/libguide.a \
>            -lpthread \
>            $(FFTW3_LIB)/libfftw3.a