Improving NAMD scaling on Ranger

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pdblood

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Jul 9, 2010, 1:09:10 AM7/9/10
to VSCSE Petascale Programming 2010
Here are the environment variables that improve scaling of NAMD on
Ranger by 15-30%. This only works for mvapich 1, it does *not* work
with mvapich 2. I have tested these with mvapich 1.0.1. Set these in
your batch script before invoking ibrun:

export VIADEV_SMP_EAGERSIZE=64
export VIADEV_SMPI_LENGTH_QUEUE=256
export VIADEV_ADAPTIVE_RDMA_LIMIT=0
export VIADEV_RENDEZVOUS_THRESHOLD=50000

See this webpage for my benchmarks and scripts for running NAMD on
Ranger, Kraken, and Abe:

https://portal.teragrid.org/web/user-support/namd_benchmark


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