[gmx-users] gromacs gpu code

[Wayne Liang]

Dear developers,

I would like to write a new gromacs tool which can make use of GPU. I
have some experience for implementing new analysis tools since gmx3.3
(but only for cpu). I plan to write a cuda kernel that can be called
from standard c code (g_xxx.c).

I was trying to dig into nbnxn_cuda folder to find some hints of compiling
cuda and c codes together. However, the CMakeList.txt makes me a bit
confused.

I would like to know is there any templates (CMakeList) I can refer
to? or any other source that i can learn from? Thanks for all the
suggestions.


Best,

Chungwen