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 >> _______________________________________________ >> 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/ > -------------------------------------------------------------------------- > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > >