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[lammps-users] How to accelerate the calculation speed by using existing hardware ?
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[lammps-users] How to accelerate the calculation speed by using existing hardware ?


From: 王淑婷 <wangshuting@...6572...>
Date: Mon, 10 Jul 2017 10:40:24 +0800 (GMT+08:00)

Dear lammps-users,

Now I have several intel xeon processors e5 v4 with 280 cores. I find that the calculation speed is the fastest by using 54 cores when I use hybrid force field. 

I still have a NVIDIA Tesla P100 GPU. When the force field is tersoff, the calculation speed tested by one GPU core and one CPU core is four times higher than the 28 CPU cores. But when the force field is hybrid, the calculation speed tested by one GPU and one CPU core is two times lower than the 28 CPU cores. 

I don't know how to use existing hardware to accelerate the calculation speed when my force field is hybrid. It's OK if I should buy some more hardware. Could you please give me some suggestions? Thank you for your help in advance.

Yours sincerely 
Shuting Wang