[QE-developers] [QE-user] Speeding up QE calculations

Yuvam Bhateja yuvamb16 at gmail.com
Sat Jun 6 16:18:31 CEST 2020


Hey everyone,

I want to simulate my system consist of more than 200-300 atoms and will
require performing VC relax, relax, etc, all types of calculation.
I am using a cluster with 8 core CPU, 42 GB RAM (RAM can be increased but
CPU cores cannot) and no GPU.
I tried GPU acceleration but for some other reason it didn't work.
Can someone suggest how to speedup my calculations?
Any tips and hits will be appreciated.

Regards
Yuvam Bhateja
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