[Wien] ELPA

[Arthur H. Edwards]

At approximately what dimension does ELPA become useful. I plan on doing single point, total energy calculations to calculate hyperfine parameters for ~216 atom cells of SiC, GaN/AlN with defects having symmetry of C3v, or C2v. I will be computiing on an MPI system with between hundreds and thousands of nodes, each with between 16 and 32 processors. We use openmpi and openblas.


Thanks,

Art Edwards
-- 
  Arthur H. Edwards
  edwardsah3 at fastmail.fm