[gmx-users] Building Gromacs

Mark Abraham mark.j.abraham at gmail.com
Wed Nov 14 05:31:27 CET 2018


On Mon, Nov 12, 2018 at 3:46 PM Jasper Jordan <hoseknows at gmail.com> wrote:

> I was sure that a month ago when I started down the path of building and
> making Gromacs available for our user community, that I read a statement
> that whenever there is a hardware change, you need to rebuild Gromacs. I
> took this quite literally. So I assume that if hardware isn't identical
> (make, model, etc) a rebuild is required.

That's not a statement you'd find in the GROMACS docs, so I presume you've
followed some blog post or similar. Buyer beware, in such cases.

Well, now I can't find the statement, and we're attempting to deploy to AWS
> where we might have 1 core, or 8, and we may have no GPUs, or 1, 8, or 16
> per instance. So people are asking why I need to rebuild, and I can't give
> them an answer because I can't find the statement any more.

As Justin said, the hardware generation matters, not the hardware count.


> Can somebody tell me if it is required? Was it required? Or is it just a
> misremembery that I need to just discard?
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