Good day for everybody, who use Gromacs. I want to ask you about hardware of my work computer. I want to create a supercomputer and I need some help.
The first: What kind of Programming interfaces/languages solutions used for GPU acceleration I need for use Gromacs 5.0, and for good computing power (Anaconda(Python), CUDA C, CUDA C++, MatLab, jCUDA, OPENGL and etc)?
The second: What is video card most prefer for use Gromacs(Tesla k40, Jetson TX1 and TK1, Quadro M5000, Titan X and other)? The third: Which libraries I must to use for good and stable Gromacs work(I tell about CUDA Math Librarary, ArrayFire NVBIO etc)? And, if it not very hard for you, please, tell what computer hardware I need for good and fast computing on Gromacs at all. I understand, that the questions is not ordinary, but please you, try to help, and discribe the problems more fully.
