What's the performance of Kremer-Grest(KG)model with DPD thermostat by using GPU in window?

Thanks, Trung!
I am sorry to consider your suggetion late for some personal reasons
I have read the Brown’s paper (2011) which discuss short range forces before I use GPU, and I know the basic process in GPU.
Addtionly. this paper is useful beginner to learn the parameters of package command.

Unfortunately, there is no benefit using newton off on

In fact, I accept your idea -" speedup from the GPU library will usually be modest"
Beacuse if pair cut is range from 1.12 (2^1/6) to 2.5, the GPU will be helpful!

But how about KK package?

Maybe I will get some idea from it

Thanks again

Yongjin, Ruan

Kokkos includes pair_style lj/cut and bond_style fene but not pair_style dpd/tstat. Why don’t you run some tests with Kokkos? It would be interesting to see the comparison.



what is the neigh time when you used “newton off on”?

I agree with Ray, you may want to try kokkos for this system.