To-Do List
8/21/2012
- libxc on gpu (lin)
- performance plot for RPBE (lin)
- work on either the mgga
- understand crash for large number of grid points
- read thru func_aux
- time PBE
- look at nvvp to understand bottleneck
- think about cleanup of p
- summarize pattern for moving functional to gnu
- better pattern for p_d?
- think about integrating with samuli
- multi-alpha zher (jun)
- paper (jun)
- create infrastructure for running convergence tests (aj)
- help with all the above (cpo)
- add Na2O4 calculation to AJ infrastructure
- understand default jacapo/gpaw parameters/algorithms/initial-values
8/15/2012
- libxc on gpu (lin)
- performance plot for RPBE (lin)
- work on either the mgga or the copying of "p"
- understand crash for large number of grid points
- read thru fund_aux
- time PBE
- look at nvvp to understand bottleneck
- think about cleanup of p
- summarize pattern for moving functional to gnu
- better pattern for p_d?
- evaluate possible gpu purchase (jun)
- multi-alpha zher (jun)
- paper and speeding up more (FFT?) (jun)
- create infrastructure for running convergence tests (aj)
- help with all the above (cpo)
- add Na2O4 calculation to AJ infrastructure
- understand default jacapo/gpaw parameters/algorithms/initial-values
...