MD runs at different clusters

From: Monika Sharma (
Date: Fri Dec 07 2007 - 04:04:35 CST

Dear All,
I just want to know the effect of using different cluster machines for
same problem.
Suppose we have different clusters of different machine, with one kind
of machines in one cluster and other kind of machines in other cluster
and likewise. For instance, one of IBM powerpc, one of AMD 64 bit, and
other of SGI IA64 (PS: just for example sake). Now we want our protein
system to evolve at different temperatures say 300K, 400K, 500K. And in
order to reduce time, we give runs for each temperature at the three
different clusters. And in the end, we want to compare the results
altogether for that protein system.
Now my question is that will it be fine if we compare the results at the
end from the different clusters? Because i think that MD is quite
chaotic, so different clusters should give different results, and it can
be quite diverse. But then how can one reduce the time if one has to
wait for completion of one run to give runs at the same cluster? And how
much reliable will the study be if done in so manner??

Thanks in advance,

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