[gmx-developers] The computer preferences

Коляденко Илья kolyadenko_ilya at mail.ru
Mon Oct 17 18:55:14 CEST 2016

Good day.
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.
With respect!!!
Kolyadenko  Ilya
kolyadenko_ilya at mail.ru  

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20161017/e64cf037/attachment.html>

More information about the gromacs.org_gmx-developers mailing list