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 > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------