[CP2K:3859] MKL + Intel MPI with OpenMP

[Urban Borštnik]

Hi,

you should use serial MKL if you're not doing so.

Regards,
Urban.

On Wed, 2012-06-13 at 01:24 -0700, ribx wrote:
> Hello CP2K Community!
> 
> I am trying since days to get cp2k with MKL and Intel MPI up and
> running with OpenMP parallelization.
> 
> Its compiling, but my reference Benchmark "H2O-x.inp" does not
> converge. I guessed that its something with Intel MPI being not thread
> safe, but now it turned out, that its MKL. I have successfully
> netlib.org running and converging.
> 
> Another thing that irritates me is, that the pure MPI version with MKL
> is _way_ slower than the netlib.org versions of BLAS (13x). Does
> anyone observe this, too?
> 
> Btw, I am using the newest MKL, 10.3.10, is this a mistake?
> 
> best regards
> ribx
> 
> 
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