[gmx-users] gromacs on GPU

[James Starlight]

Have someone tried to use gromacs-4.5-gpu binaries ? Would that
packages work on debian or its better to build from sources ? :)

James

2013/1/6 Justin Lemkul <jalemkul at vt.edu>:
>
>
> On 1/6/13 4:48 AM, James Starlight wrote:
>>
>> Dear Gromacs Users!
>>
>>
>> I want to install gromacs 4.55 on my Debian OS with the GPU support
>> (I'd like to make some calculations on the GeForce 670 gpu).
>>
>>
>> I have cuda-toolkit as well as openMM 4.01 installed from the binaries
>> as well as gromac's sources. Could you provide me with some tutorial
>> where I could found such step-by-step installation of the Gromacs with
>> gpu.
>>
>
> http://www.gromacs.org/Documentation/Installation_Instructions_4.5/GPUs#Installing_and_running_GROMACS-GPU
>
> -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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