[QE-users] scf convergency depends on the number of mpi processes !!!

[Paolo Giannozzi]

On 29/11/2022 06:01, Mahmoud Payami Shabestari wrote:

> Could you please give me an advice on how can I compile PWscf with any 
> desired higher precisions than the default?

I don't think you can do that by just changing some compiler options: 
the code is too large, there will be some instruction or library call or 
whatever that does not work for extended precision. Even if you succeed, 
the code will become too slow. I would rather try to figure out which 
specific routines give different results if compiled with no optimization

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