I am trying to use Quantum ESPRESSO with GPU acceleration.
However, since I am new to this field, I do not know about the flags and variables that could be exported to get the optimum performance.
Here is a bunch of variables that were suggested to me.:
I, being a novice, do not understand how this work and I am pretty sure that the GPUs are not being utilized fully. I say this since I tried to run some basic profiling all of which indicate the same:
could not find the documentation about these.
I am using a slurm script to run my jobs. Every GPU node on the cluster has 2 Tesla V100-SXM2-16GB and 40CPU cores.
Could anyone shed some light on:
What all flags and variables are there that could be set, and how to decide which are the relevant ones for my program?
Where can I read more about these variables and flags?
Any insights would be much helpful.