[CP2K:5948] cp2k trunk and intel 2015-u1

[Alin Marin Elena]

Great Iain,

I did not check yet the mp2 as I am still to build libint.. nobody
seems to use it here and I do not.

Alin
Without Questions there are no Answers!
______________________________________________________________________
Dr. Alin Marin ELENA
http://alin.elenaworld.net/
______________________________________________________________________


On 12 December 2014 at 11:28, Iain Bethune <ibet... at epcc.ed.ac.uk> wrote:
> 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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