[gmx-users] g_cluster and g_hbond calculation on GPU

Mark Abraham mark.j.abraham at gmail.com
Wed Aug 9 15:24:28 CEST 2017


Please don't re-post the same questions from different emails. You already
got the answer that no analysis tools have been ported to run on GPUs.


On Wed, Aug 9, 2017 at 3:04 PM Kishwar Hayat Khan <kishwar1973 at gmail.com>

> Hi Everyone,
> I would like to run g_cluster and g_hbond calculation on GPU boards. I
> could only find -nthreads option to fasten my calculations, Is it possible
> to use GPU boards for this like mdrun.
> reg
> Kish
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