cp2k speedup on multicore machines

[cavallo]

Thanks Axel,

Clearly something was wrong in my machine. The problem was related to
something in mpich2. I rebuild it from scratch and things are much
better now.
Using the cp2k/tests/QS/benchmarks/  H2O-64.inp   H2O-256.inp as they
are, I got the following execution times and speedups:

                      H2O-64.inp         H2O-256.inp
                   secs                    secs
1 cores        2347    1.00         27518     1.00
2 cores        1286    1.83         16526     1.66
4 cores          863    2.72         16311     1.68

However, beside the MD steps, lot of time is spent in the starting 50
steps for scf wf optimization.

Since none of my exec times is close to yours, I wonder which test
your ran. Can you post the input/recipe if any change from that in the
cp2k test dir ? Beside speedup, I am also interested in absolute
execution times, of course, and your tests are sort of final target
for me, since you tested on a machine extremely similar to the one I
am testing now.

Final question is: what's better, amd or intel ? Any experience on
this ?
Thanks again,
Luigi