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

Marius Retegan marius.s... at gmail.com
Wed Sep 23 17:43:08 UTC 2009

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.

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 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.htm>

More information about the CP2K-user mailing list