167. WIEN2K Parallel
Performance
H size 56,000 (25GB)
Runtime (16x8 processors)
Local (Infiniband) 3h:48
Cloud (10Gbps) 1h:30 ($40)
1200 atom unit cell; SCALAPACK+MPI
diagonalization, matrix size 50k-100k
Credit: K. Jorissen, F. D. Villa, and J. J. Rehr (U. Washington)