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
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