[CP2K:1178] How to compile cp2k with INTEL compilers and MKL.

Teodoro Laino teodor... at gmail.com
Fri Jul 11 16:56:07 CEST 2008


Dear ??,

as long as I can see from the posts on this mailing list the problem  
is rarely the  arch file.
The main problem is that INTEL compilers (as many others out there  
like PGI) are intrinsically bugged.
The more they release the more buggy they become.

So.. it's nice to have scripts that set environmental variable for  
you .. but it would be much nicer (from my
point of view) to have compilers that are able to do their job.
The situation becomes even more dramatic if you think that F90  
standard is roughly 20 years old..

Cheers
Teo

On 11 Jul 2008, at 16:47, fish wrote:

> After working with the INTEL compilers for several years, I am having
> much better luck with them.
> The MKL libraries are very convienent because they contain many of the
> commonly used math libraries in them.  You can make wrappers for
> FTTW3, SCALAPACK, BLAS which use the MKL libraries.  This does make
> compiling open source like CP2K much easier.
>
> The INTEL MPI library is also convienent for compiling parallel code.
>
> A nice example is provided by the INTEL which shows how to compile
> VASP with their compilers, math libraries and MPI.
>
> (See http://support.intel.com/support/performancetools/libraries/ 
> mkl/sb/CS-028850.htm.)
>
> This example should be helpful to someone trying to make an arch file
> for compiling cp2k with the INTEL compilers and libraries.

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