[CP2K:5932] cp2k trunk and intel 2015-u1

[Iain Bethune]

Hi Alin,

The crash you hit should be fixed in the next release (15.0.2), due in February.  The MP2-related one should already be fixed in 15.0.1 according to Intel, although we have not yet verified this.

Cheers

- Iain

--

Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
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> On 9 Dec 2014, at 23:44, Alin Marin Elena <alinm... at gmail.com> wrote:
> 
> Hi Iain,
> 
> thermostat_utils.F and test H2O-meta-mindisp.inp
> is the one I have found as being the offender but I see you already
> know about it, reducing optimisation makes it pass. I did not test
> anythng with MP2 yet.
> 
> regards,
> Alin
> Without Questions there are no Answers!
> ______________________________________________________________________
> Dr. Alin Marin ELENA
> http://alin.elenaworld.net/
> ______________________________________________________________________
> 
> 
> On 9 December 2014 at 22:07, Iain Bethune <ibet... at epcc.ed.ac.uk> wrote:
>> 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.
>> 
>> Cheers
>> 
>> - Iain
>> 
>> --
>> 
>> Iain Bethune
>> Project Manager, EPCC
>> 
>> Email: ibet... at epcc.ed.ac.uk
>> Twitter: @IainBethune
>> Web: http://www2.epcc.ed.ac.uk/~ibethune
>> Tel/Fax: +44 (0)131 650 5201/6555
>> Mob: +44 (0)7598317015
>> Addr: 2404 JCMB, The King's Buildings, Peter Guthrie Tait Road, Edinburgh, EH9 3FD
>> 
>>> 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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