[QE-developers] Large memory requirements for matdyn.f90 for QE versions >6.3

[Holzwarth, Natalie]

Thanks very much for looking into this.    I will try it with QE 7.0.
Very much appreciated.    Natalie

N. A. W. Holzwarth                                       email:
natalie at wfu.edu
Department of Physics                                  web:
http://www.wfu.edu/~natalie
Wake Forest University                                 phone:
1-336-758-5510
Winston-Salem, NC 27109 USA                     office: Rm. 300 Olin
Physical Lab


On Tue, Jun 14, 2022 at 4:28 PM Samuel Poncé <samuel.ponce at uclouvain.be>
wrote:

> Dear Natalie,
>
> I confirm the memory issue (I ran your calculation).
>
> You can make it work by using
> asr = 'simple',
>
> The 'crystal' ASR does use quite a lot of memory in case of many atoms
> (and also because you are doing a DOS).
>
> However the problem should be the same with QE 6.3 as the 'crystal' ASR
> was implemented long ago and has not changed.
>
> Hope this helps,
> Samuel
>
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