Tutorial slides (PDF) - Clemson University

Success Story
GPAW will allow you to run multiple concurrent DFT calculations with
a single executable.
High-throughput computing (HTC) for catalytic materials screening.
Perform compositional sweeps trivially.
Manage the dispatch of many tasks without 3rd party software
Suppose 512-node partition, 2048 cores
Each DFT calculation requires 128 cores, no guarantee that
they all finish at the same time
Set-up for N >> 2048/128 calculations. As soon as one DFT
calculations finish, start another one until the job runs out of
wall-clock time.