LSCALU: Difference between revisions

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For {{TAG|LSCALU}}=.TRUE. the LU decomposition in the orthormalization of the wave functions is done in parallel, using scaLAPACK routines.
For {{TAG|LSCALU}}=.TRUE. the LU decomposition in the orthormalization of the wave functions is done in parallel, using scaLAPACK routines.
Provided, of course, {{TAG|LSCALAPACK}}=.TRUE. and VASP was compiled with scaLAPACK support (precompiler flag: -DscaLAPACK).
Provided, of course, {{TAG|LSCALAPACK}}=.TRUE. and VASP was compiled with scaLAPACK support ([[Precompiler_flags|precompiler flag]]: -DscaLAPACK).


== Related Tags and Sections ==
== Related Tags and Sections ==

Revision as of 16:15, 5 April 2014

LSCALU = [logical]
Default: LSCALU = .FALSE. 

Description: LSCALU switches on the parallel LU decomposition (using scaLAPACK) in the orthonormalization of the wave functions.


For LSCALU=.TRUE. the LU decomposition in the orthormalization of the wave functions is done in parallel, using scaLAPACK routines. Provided, of course, LSCALAPACK=.TRUE. and VASP was compiled with scaLAPACK support (precompiler flag: -DscaLAPACK).

Related Tags and Sections

NPAR, NCORE, LPLANE, NSIM, KPAR, LSCALAPACK, LSCAAWARE


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