On 04/11/2022 01:00, Yang Liu wrote:

In my case, QE (before 7.1) never used parallel subspace diagonalization algorithm without turning on scalapack during compilation.

I don't think this is true. Maybe the default behavior has changed when nothing is specified on the command line (-nd N), but if you specify the number of processors for parallel subspace diagonalization, the behavior should be the same, scalapack or no scalapack.

Paolo
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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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