[Pw_forum] overlap matrix

[Andrew Supka]

If you've compiled with scalapack...see if running projwfc.x with more than
one mpi proc but with the flag -northo 1 gives you the overlap matrix.

If you haven't compiled with scalapack northo will always be set to 1.

Andrew Supka
Central Michigan University

On Jan 20, 2018 8:33 PM, "Negar Ashari Astani" <negarastani at gmail.com>
wrote:

Dear Kevin,

Could be! I figured out that whenever I run with only one processor
everything is fine. However, the parallel implementation does not write the
overlap matrix. Also the output format is different. So I ended up running
projwfc.x only on one processor! Maybe there is something wrong with the
compilation and MKL libraries as you said!

Many thanks,

Negar


-- 
Negar Ashari-Astani, PhD
Sharif university of technology,
Department of Physics
Room 624
Tel: (+98)2166164504 <+98%2021%206616%204504>

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