| 8:12:00 AM PDT - Fri, Oct 7th 2016 |
|
Dear all,
as title suggest, I would like to ask about if there are plans for such a feature.
The thing is, that i'm working on a QM/MM package and such a feature (together/or with supporting communication with MPI_COMM_SPAWN or accepting mpi communicator passed by parent application) would be of great help.
Also, if not, could you maybe point out the difficulties of these things?
btw, this is not only the case of nwchem. Actually, I found only 1 program that supports these features - LAMMPS - which is classical MM code.
thank you
|