[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20220614/1d15a747/attachment.html>
More information about the developers
mailing list