On Feb 23, 2011, at 6:16 AM, Tom Dupree wrote:
> Greetings all,
>
> I am new to Linux and wish to confirm some facts before I press on with the
> installation.
>
> In the installation guide,
> http://www.gromacs.org/Downloads/Installation_Instructions
> There is a line saying “...Where assembly loops are in use, GROMACS
> performance is largely independent of the compiler used. However the GCC
> 4.1.x series of compilers are broken for GROMACS, and these are provided with
> some commodity Linux clusters. Do not use these compilers!...”
>
> Firstly I assume this still applies to GROMACS version 4.5 and not just to
> earlier ones. (Confirm/deny?)
To my knowledge there are no workarounds for gcc 4.1.x compiler bugs in the
newer Gromacs
versions.
> Secondly I read this as GCC 4.2.x and greater should be fine. (confirm/deny?)
Yes. You could also use the Intel compiler which will typically give you one or
two percent
extra performance. But do not expect too much.
Carsten
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