[CP2K:2298] CP2K build with Intel Compiler and MKL

[Marius Retegan]

Hi,
Yes I've experience something similar, altough the compiler version is
9.1.036 and MKL version is 9.0. The machine is an Itanium 2.
Marius

On Wed, Sep 23, 2009 at 7:23 PM, Ondrej Marsalek
<ondrej.... at gmail.com>wrote:

>
> Dear all,
>
> I have found that my build of CP2K with the Intel Fortran Compiler
> 10.1.018 and MKL 10.0.4.023 has trouble passing the tests (NaNs appear
> and so on). Apparently, it is miscompiled. The same setup has worked
> (passed all the tests) about a year. I have only updated CP2K from CVS
> and used a recent OpenMPI (1.3.3). I have intentionally kept the
> versions the same as before, to have something that is known to work.
> I have two questions related to that.
>
> Has anyone else experienced a similar problem?
>
> Does anyone have a tested combination of recent Intel compiler and MKL
> versions, perhaps together with an arch file that I could use as
> inspiration?
>
> Thanks for any replies,
> Ondrej
>
> >
>
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