Inpgen feature: parallelization suggestion to inp.xml
Inpgen should write into the inp.xml file a parallelization suggestion for the given system. So many mpis so many openmp... ggf the inpgen input file could take some further information about the machine as input, or write suggestions for several machines ... With this one can check in the output if the user used something close to suggested or not.
One drawback of this is that one can use the same inp.xml file for a different machine with a different fleur code, where the optimal parallelization might be different...
If you think of other/better ways to do this lets discuss this here.
In general such a feature is useful for the user and necessary for automatization, if one wants to avoid, over parallelization or cpu time wasting.