Hi,
yet another parallelization issue. As far as i understand, subroutine cdiaghg
for davidson diagonalization is not parallelized
by default (in recent versions) and this is for good, as enabling parallel
algorithm ('david + para ') only increases computation time (almost always for
me).
Profiling shows this routine takes 1/2 -2/3 exec times for big jobs running
in parallel on 8-core dual Xeon clovertown 2.66GHz machine, so some working
parallelization algorithm could give sizeable performance boost.
I'd like to hear any comments from respected developers concerning this issue.
Best Regards,
Alexander Shaposhnikov
