NAMD on Bluegene

From: Thomas Lemmin (
Date: Fri Mar 16 2012 - 12:39:16 CDT


I am performing some benchmarks of NAMD 2.7b1 on a Bluegene/P.
I tested two systems; One with 500K atoms and one with 1M atoms. The
scaling is good, but I might have some memory problems.

Did anyone benchmark such systems on Bluegene/P with 2GB of memory per node?
Can I trust the memory usage displayed in the following line:

Info: Initial time: 4096 CPUs 0.03012 s/step 0.174305 days/ns 145.43 MB memory

Is this the memory used per process.


Thomas Lemmin

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