[Wien] Can NMATMAX ba a universal number for MPI-version? / Thank you

[Oleg Rubel]

Oh, now I understand. Thank you for the reply.

Oleg Rubel

On Fri, 25 Apr 2008, Peter Blaha wrote:

> This is already done!
>
>  nmatmax1=nmatmax1*sqrt(NPE*1.d0)
>
> But of course you still need a "meaningful" NMATMAX at the beginning.
>
> Oleg Rubel schrieb:
>> Dear Wien2k Users and Developers,
>>
>> I calculated some case in which my RKmax was reduced due to 'Matrix size'
>>> NMATMAX. That was a serial version. I moved to MPI and met the same
>> problem. In the case of MPI, I would expect that NMATMAX applies to the
>> piece of the global matrix stored on a particular node, and thus larger
>> 'Matrix size' is possible. But it seems to be not a case. Of course I can
>> recompile lapw1 with a larger NMATMAX for lapw1(c)_mpi, but again it
>> depends on the number of nodes involved and cannot be a universal number.
>>
>> Should the rules of applying NMATMAX to MPI version be changed?
>>
>>
>> Any suggestions are welcome.
>>
>> Thank you in advance
>>
>> Oleg Rubel
>>
>> ===========================
>> Faculty of Physics
>> Philipps University Marburg
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>
> -- 
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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