Versions Compared

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.

...

  • 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 lceanup 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

...