slides - Quantum Espresso

MASSIVE PARALLELISM is it an ISSUE ?Any consideration about that from experienced people?What follows is an open question on something I do not have directknowledge of, with the hope that the previous talk on ASE frameworkalready answered to it.QE is natively parallel, and massively parallel calculations areobviously required for state-of-the-arte large simulations.I know Python can be executed on parallel machines (both withshared- and distributed- memory).However, since I do not have direct experience on that, I do notknow how feasible it is to perform real production simulationusing ASE as gluing framework.ASE is it more suitable to handle medium/small sims that run ondesktop/in-house machines?Luca Tornatore : interfacing Quantum Espresso with ASE ■ QE Developers meeting – January, 9th 2013