[lammps-users] correct steps to write a function for gpu.

Hi all ,

i am willing to start writing a lammps function for gpu. Except the one i am willing to change do i have to have knowledge of some other basic parts of the code amd make changes there too? for example the main or the input etc..? Lets assume that the target is to change the pair style lj/cut/coul/long

Regards
Dimitris

Hi all ,

i am willing to start writing a lammps function for gpu. Except the one i am willing to change do i have to have knowledge of some other basic parts of the code amd make changes there too? for example the main or the input etc..? Lets assume that the target is to change the pair style lj/cut/coul/long

first of all you need a good understanding of MD and implementing MD.
second you need to understand the flow of code in LAMMPS, but
no details of the parsing etc. this is all fairly self-evident from looking
at the existing GPU code samples.

but before you start, first have a look at the lammps_cuda branch

http://code.google.com/p/gpulammps/wiki/Lammps_cuda_UI_Features

of the gpulammps effort.

http://code.google.com/p/gpulammps/

cheers,
    axel.