Hai,
I am a researcher and i am using quantum ATK since 1 year and my question is "It is becoming to make Plane wave simulations and it's taking a very long time to produce results, so times it.s showing errors also. Is there any way the make the simulation complete faster and shall i need make any changes in Job manager at no.of MPI processors and no.of MPI processors per node and also please the tell how much i should the values of no.of MPI processors and no.of MPI processors per node to complete simulation faster".
