Dear all:
I was trying to build gromacs 4.0 on a cray-xt4 machine, the same one
as the benchmark in the gromacs4 paper (). However, my timing for a
similar system, ~100,000 atoms, is almost 3 times slower than in the
paper. For example, I only got ~25 ns/day with 128 cpus. So is there
any special flags, or tricks I can use during the configuration for
detailed tuning?
Thank you very much,
Bin
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