LSCAAWARE: Difference between revisions
No edit summary |
No edit summary |
||
| Line 6: | Line 6: | ||
---- | ---- | ||
For {{TAG|LSCAAWARE}}=.TRUE., VASP distributes the Hamilton matrix | For {{TAG|LSCAAWARE}}=.TRUE., VASP distributes the Hamilton matrix among the MPI ranks. | ||
For {{TAG|LSCAAWARE}}=.FALSE., each MPI ranks allocates the complete Hamiltonain. In both cases {{TAG|LSCALAPACK}} decides if ScaLAPACK routines are used for diagonalization. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 17:02, 26 August 2019
LSCAAWAVE = [logical]
| Default: LSCAAWARE | = .TRUE. | if VASP is compiled with scaLAPACK support (precompiler flag -DscaLAPACK) |
| = .FALSE. | otherwise |
Description: LSCAAWARE controls the distribution of the Hamilton matrix.
For LSCAAWARE=.TRUE., VASP distributes the Hamilton matrix among the MPI ranks. For LSCAAWARE=.FALSE., each MPI ranks allocates the complete Hamiltonain. In both cases LSCALAPACK decides if ScaLAPACK routines are used for diagonalization.
Related Tags and Sections
NPAR, NCORE, LPLANE, NSIM, KPAR, LSCALU, LSCALAPACK