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

Marius Retegan marius.s... at gmail.com
Wed Sep 23 19:43:08 CEST 2009


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
>
> >
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20090923/ae703c16/attachment.html>


More information about the CP2K-user mailing list