[Pw_forum] Serial Diagonalization

Paolo Giannozzi giannozz at democritos.it
Fri Apr 13 12:33:30 CEST 2012


On Fri, 2012-04-13 at 11:17 +0100, Paul Jennings wrote:

> It is linked against ScaLAPACK from Cray's libsci.

in Modules/mp_global.f90, lines 575 and following, try to replace
this piece of code:

#if defined __SCALAPACK
       nproc_ortho_try = MAX( parent_nproc/2, 1 )
#else
       nproc_ortho_try = 1
#endif

with

       nproc_ortho_try = 1

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy




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