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

Samuel Poncé samuel.ponce at uclouvain.be
Tue Jun 14 22:28:16 CEST 2022


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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