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

[Oleg Rubel]

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

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Faculty of Physics
Philipps University Marburg