From: Andrew Pearson (andrew.j.pearson_at_gmail.com)
Date: Fri Feb 22 2013 - 12:29:58 CST
I'm investigating scaling problems with NAMD. I'm running precompiled
linux-64-tcp binaries on a linux cluster with 12-core nodes using "charmrun
+p $NPROCS ++mpiexec".
I know scaling problems have been covered, but I can't find the answer to
my specific question. No matter how many cores I use or how many nodes
they are spread over, at the top of stdout charm++ always reports "Running
on # unique compute nodes (24-way SMP)". It gets # correct, but it's
always 24-way SMP. Is this supposed to be this way? If so, why?
Everyone seems to say that you should recompile NAMD with your own MPI
library, but I don't seem to have problems running NAMD jobs to completion
with charmrun + OpenMPI built with intel (except for the scaling). Could
using the precompiled binaries result in scaling problems?
Thank you.
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