[Wien] MKL error

[Luis Ogando]

Dear Yundi,

   Thank you for your help !
   I am now discussing this with the TI team.
   All the best,
              Luis


Em qui, 30 de ago de 2018 às 18:18, Yundi Quan <yquan at ucdavis.edu> escreveu:

> The input parameters for DSTEIN2 can be found here
>
> http://www.netlib.org/scalapack/explore-html/dc/deb/dstein2_8f_source.html
>
> Parameter 4 and 6 are M and IBLOCK respectively. The number of MPI
> processes probably is too large.
>
>
>
>
>
> On Thu, Aug 30, 2018 at 12:01 PM, Luis Ogando <lcodacal at gmail.com> wrote:
>
>> Dear Wien2k community,
>>
>>    I am calculating a large system (100 atoms) with only one K-point.
>>    When I try the job with 288 MPI processes, it goes smoothly but
>> exceeds the allowed calculation time.
>>    On the other hand, when I try the same calculation with 1152 MPI
>> processes, I get the following message during lapw1 execution:
>>
>> Intel MKL ERROR: Parameter 6 was incorrect on entry to DSTEIN2.Intel MKL
>> ERROR: Parameter 4 was incorrect on entry to DSTEIN2.
>>
>>    Does anyone have any hint to solve this problem ?
>>    All the best,
>>               Luis
>>
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>>
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