LSCALU: Difference between revisions
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{{TAG|LSCAAWARE}} | {{TAG|LSCAAWARE}} | ||
{{sc|LSCALU|Examples|Examples that use this tag}} | |||
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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]][[Category:parallelization]] | [[Category:INCAR]][[Category:parallelization]] | ||
Revision as of 10:31, 20 March 2017
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).
In many cases, the scaLAPACK LU decomposition based is slower than the serial LU decomposition (compare the timing ORTHCH in the respective OUTCAR files). Hence the default is LSCALU=.FALSE. (subspace rotations, however, are still done using scaLAPACK).
Related Tags and Sections
NPAR, NCORE, LPLANE, NSIM, KPAR, LSCALAPACK, LSCAAWARE