[gmx-users] Re: [gmx-developers] Gromacs 4.6.1 ATLAS/CUDA detection problems...

[Evren Yurtesen IB]

On Thu, 7 Mar 2013, Berk Hess wrote:

>
> Hi,
>
> Note that the linear algebra in Gromacs is limited to eigenvalue solving in two analysis tools,
> the MD engine does not use any (large) linear algebra.
> So linear algebra library performance is irrelevant, except for the cases where users
> would want to repeated uses one of the two tools with large systems.
> Even then, our built-in code is not bad.
>
> Cheers,
>
> Berk

Hello,

I am not sure what you are suggesting as a fix to the problem? Do you mean 
the support for ATLAS should/will be removed as a fix because it is not 
very useful performancewise (and non-functional) anyway?

Thanks,
Evren