cp2k speedup on multicore machines

[cavallo]

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