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

[Peter Blaha]

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
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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