[gmx-users] Do need to recompile GROMACS with hardware changes

Mark Abraham mark.j.abraham at gmail.com
Wed Nov 14 05:24:07 CET 2018


On Tue, Nov 13, 2018 at 8:15 AM Darin Lory-External <
darin.lory at regeneron.com> wrote:

> To Distribution:
> Do you need to recompile GROMACS with any hardware changes, i.e. 1 GPU to
> 8 GPU or 16 GPUs.

No. You might require a recompilation if the generation of the hardware
changes, or the available libraries or drivers are of a different version
or in a different place.

My coworker says he saw this requirement in the documentation.  But with
> the new release 2018.4, it's not there.

There's no requirement to do so. But doing so ensures no problems and
maximum performance. Depends what you know about your execution environment.


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