[QE-developers] Is an fp32 version of quantum espresso possible?

[Yash Rachamalla]

Greetings,

I am an undergraduate student trying to learn quantum espresso. I installed
it on my workstation but noticed my nvidia gpu was only drawing 40w of
power at 100% usage. I figured out it was because quantum espresso only
uses fp64 and not fp32. On enterprise hardware this isn't a problem since
fp64 is only half the throughput of fp32, but consumer gpu are designed for
graphics. On consumer nvidia gpus since kepler, fp64 has 1/64th the
throughput of fp32.

I was wondering if making an fp32 build is feasible? I am not planning any
publications, and I don't really need ultraprecise calculations. I am just
looking for a quick performance uplift.

Yash
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