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[lammps-users] regarding scaling up LAMMPS on CPU/GPU
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[lammps-users] regarding scaling up LAMMPS on CPU/GPU


From: Quang Ha <quang.t.ha.20@...24...>
Date: Tue, 4 Jul 2017 12:37:10 -0400

Hi all,

Happy 4th July!

Anyhow, I just have some questions regarding the scaling up potential of LAMMPS. I found the benchmark documentation here: http://lammps.sandia.gov/bench.html

According to the results, it seems like LAMMPS scales better on CPU compared to GPU. Is this always the case, like do we always expect LAMMPS to perform better on, say, KNL when compared to, say, Titan X? Reasons for asking simply because I need to specify the nodes for the supercomputer I am applying to use, so it would be better to use the one which I can the most efficient resutls out of. 

Or have my interpretation of the benchmark been wrong? Would love to hear some opinions, please.

Many thanks,
Quang