On Fri, Apr 5, 2013 at 10:51 PM, 陈照云 <chenzhaoyu...@gmail.com> wrote:
> Hi! > I have some questions. > 1. Is there any method for me to improve my mdrun performance? > I have read the manual,and tested some option of mdrun,such as > -rdd,-rcon,-dds,-gcom. But they doesn't work. I have no idea about that. > It is usually unnecessary to mess with these settings. We have absolutely no way to help you without knowing what system you're simulating, available hardware, etc. > 2. Can gromacs 4.6.1 support K20? > I want to use CPU+GPU. But I met some question when I compiled the mdrun > with k20.The question is that it can't find libopenmm.But I have installed > openmm5.1.I have no idea. > > OpenMM may not even build properly any more, and it certainly is not required to make use of GPU accelerators. K20 cards should definitely give you good performance. As I recall, Erik was using one in the webinar just a few days ago. -Justin -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
