[gmx-users] Building Gromacs

paul buscemi pbuscemi at q.com
Tue Nov 13 00:57:50 CET 2018

This may be entirely misleading, but I have Gromacs 2018.3 loaded onto a SSD.  This seems to be quite portable between machines I have access to ( during some builds ) ranging from an i5 4core, I7-8 core, i7-12 core and AMD 16 core 32 threads  - all with expected scaling in speed and all cores used during MD.  So I am not sure why you must rebuild.


> On Nov 12, 2018, at 3:45 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.
> 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.
> 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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