chandran karunakaran wrote:
Dear Gromacs users
We are interested in doing long time MD using parallel
computation.Can we use the Gromacs 3.2.1 version in
the parallel computation system. We would appreciate
if you suggest what type of parallel computing system
to be bought to implement in Gromacs.
Lacking a strong scientific reason (e.g. continuity with previous work)
you should not be planning to use a version that's 3 or 4 years old.
GROMACS 4.x is much faster.
That said, pretty much anything will be reasonable, but don't skimp on
your network. Even gigabit ethernet is not very useful. Search the
archives for posts recommending Infiniband.
Mark
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