performance on Linux Opteron cluster

[LIANG Yunfeng]

Dear All,

The analyst help me set up cp2k (with the PGI compiler) in Linux Opteron
cluster with Infiniband interconnect, where each node has 2 Opteron CPUs (
2.40GHz) and 2 GB of memory.

He gives the reports as below:

Running on 2 processors, this completed the 32H2O-md.inp
problem in about 32 minutes....

I also ran it on 4 processors, which took a little over 20 minutes.
I then ran it on 8 processors and found it took just under 20 minutes.
So, the program is not scaling very well as the number of processors
is increased.

....

I think cp2k is still heavily bounded with OpenMP, so the performance can
only be like the above, am I right?

Thank you
Sincerely, Yunfeng
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