OK! I've compilated gromacs-gpu from the source using that tutorial for the Debian OS http://verahill.blogspot.ru/2012/01/debian-testing-64-wheezy-compiling_20.html
The only thing that it lack is the installation mdrun_d-gpu but i'm not sure that double precission can be used with gpu. Could someone provide me with some tutorial which would show me basic mdrun options with the calculation on my gpu as well as some testing system? James 2013/1/6 Justin Lemkul <jalem...@vt.edu>: > > > On 1/6/13 7:41 AM, James Starlight wrote: >> >> Have someone tried to use gromacs-4.5-gpu binaries ? Would that >> packages work on debian or its better to build from sources ? :) >> > > The binaries online are very outdated. Compiling from source is rather > easy, and the website below has all the steps listed. > > > -Justin > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://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 -- 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