[gmx-developers] Writing a new analysis tool utilizing GPU

Wayne Liang chungwen.liang at gmail.com
Wed Jul 1 12:26:24 CEST 2015

Dear developers,

I would like to program a new gromacs tool which can make use of GPU. I
have some experience to implement 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

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.


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