[gmx-users] gromacs on GPU

[James Starlight]

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 <jalemkul at 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 The binaries online are very outdated.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
>
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