[CP2K:5925] cp2k trunk and intel 2015-u1

Iain Bethune ibet... at epcc.ed.ac.uk
Tue Dec 9 22:07:37 UTC 2014

Hi Alin, 

We only have the 2015.0 release on our automated tester at present (ifort 15.0.0, impi 5.0.1, mkl 11.2.0).  There are a couple of outstanding bugs which will cause crashes when running an OpenMP build (ssmp or psmp).  See http://cp2k-www.epcc.ed.ac.uk for arch files that work in these cases.  However, if you are not using OpenMP (i.e. sopt, popt) then the whole code should run OK when compiled with -O2.

If you could debug a little further and provide a short test case & compiler flags that would recreate the problem that would be great and I would be happy to submit a bug to Intel.  In our experience it is often the optimiser that breaks things and if might be worth recompiling the file where the crash occurs with -O0 or -O1 as a workaround.


- Iain


Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
Twitter: @IainBethune
Web: http://www2.epcc.ed.ac.uk/~ibethune
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> On 9 Dec 2014, at 10:34, Alin Marin Elena <alinm... at gmail.com> wrote:
> Dear All,
> I have built the cp2k trunk with intel 2015-u1 (this is intel 15.0.1,
> intel mpi 5.0.2 and intel mkl 11.2.1).
> I get a segmentation fault at the start of md loop. Did anyone else notice it?
> If there is any interest in joining debug efforts I will share the backtrace.
> regards,
> Alin
> Without Questions there are no Answers!
> ______________________________________________________________________
> Dr. Alin Marin ELENA
> http://alin.elenaworld.net/
> ______________________________________________________________________
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