NAMD on Bluegene

From: Thomas Lemmin (thomas.lemmin_at_gmail.com)
Date: Fri Mar 16 2012 - 12:39:16 CDT

• Next message: amin_at_imtech.res.in: "Simulations with alpha methylated amino acids"
• Previous message: Giacomo Fiorin: "Re: ABF - coordNum collective variable"
• Next in thread: Axel Kohlmeyer: "Re: NAMD on Bluegene"
• Reply: Axel Kohlmeyer: "Re: NAMD on Bluegene"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi,

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.

Regards

Thomas Lemmin

• Next message: amin_at_imtech.res.in: "Simulations with alpha methylated amino acids"
• Previous message: Giacomo Fiorin: "Re: ABF - coordNum collective variable"
• Next in thread: Axel Kohlmeyer: "Re: NAMD on Bluegene"
• Reply: Axel Kohlmeyer: "Re: NAMD on Bluegene"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:21:46 CST