LSCALU: Difference between revisions
Vaspmaster (talk | contribs) No edit summary |
|||
| (3 intermediate revisions by the same user not shown) | |||
| Line 11: | Line 11: | ||
(subspace rotations, however, are still done using scaLAPACK). | (subspace rotations, however, are still done using scaLAPACK). | ||
== Related | == Related tags and articles == | ||
{{TAG|NPAR}}, | {{TAG|NPAR}}, | ||
{{TAG|NCORE}}, | {{TAG|NCORE}}, | ||
| Line 20: | Line 20: | ||
{{TAG|LSCAAWARE}} | {{TAG|LSCAAWARE}} | ||
{{sc|LSCALU|Examples|Examples that use this tag}} | |||
---- | ---- | ||
[[Category:INCAR]][[Category:parallelization]] | [[Category:INCAR tag]][[Category:Performance]][[Category:parallelization]] | ||
Latest revision as of 14:40, 8 April 2022
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 articles
NPAR, NCORE, LPLANE, NSIM, KPAR, LSCALAPACK, LSCAAWARE