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

2008-04-25 Thread 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

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

2008-04-25 Thread 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