To-Do List
9/5/2012 and 9/12/2012
- libxc on gpu (lin)
- do mgga (summarize pattern for moving functional to gpu)
- figure out how to get nested param-size (will change "p" struct for this, in general it would be a function to deep-copy params)
- figure out how to get p_d into the functional (will change "p" struct for this)
- kinetic functionals
- understand PBE instruction replays and constants-memory
- think about cleanup of p
- summarize pattern for moving functional to gnugpu
- better pattern for p_d?
- think about integrating with samuli
- integrate multi-alpha zher (jun)
- run nvvp
- look at occupancy calculator (get registers from nvvp)
- think of new ideas to speed-up
- explore the parameter space: threads-per-block, tile-size
- paper (jun)
- create infrastructure for running convergence tests (aj)
- help with all the above (cpo)
- work on understanding jacapo density mixing
...