Very interesting, I certainly hope that my problem is this and not
some kind of error. I'll put the program on some more nodes and run
some tests and see what runs fastest.
My only experience so far with MPI is with LAMMPS, and the simulation
I ran had an almost linear speedup from 1 -> 10 m
Are you saying t(single-process execution) < t(4-process execution)
for identical problems on each (same total amount of data)?
There's rarely a speedup in such a case-- processing the same
amount of data while shipping some fraction of it over
a slow network between processing steps is almost cer
If your problem size is not large enough than any MPI program will
perform worse on a "large number" of nodes because of the overhead
involved in setting up the problem and network latency. Sometimes
that "large number" is as small as two :)
I am not at all familiar with DL POLY, but if you make
We have a few users using DLPOLY with OMPI. Running just fine.
Watch out what kind of simulation you are doing like all MD
software, not all simulations are better in parallel. In some the
comunication overhead is much worse than running on just one cpu. I
see this all the time. You co
Hello,
Does anyone have experience using DL POLY with OpenMPI? I've gotten
it to compile, but when I run a simulation using mpirun with two dual-
processor machines, it runs a little *slower* than on one CPU on one
machine! Yet the program is running two instances on each node. Any
idea
