[gmx-users] Gromacs-4 benchmarking

2010-08-10 Thread vivek sharma
Hi There,
I want to benchmark the scalability and speed for gromacs-4 on our cluster.
I want to know if there is any benchmarking activity already goin on? I have
browsed and got benchmarking for gromacs-3 and it seems that gromacs-4 is
much more scalable and faster than gromacs-3.
Can somebody suggest me with the standard dataset that can be used for
benchmarking?

thanks,
Vivek
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Re: [gmx-users] Gromacs-4 benchmarking

2010-08-10 Thread Mark Abraham


- Original Message -
From: vivek sharma viveksharma.i...@gmail.com
Date: Tuesday, August 10, 2010 16:41
Subject: [gmx-users] Gromacs-4 benchmarking
To: Discussion list for GROMACS users gmx-users@gromacs.org

 Hi There,
 I want to benchmark the scalability and speed for gromacs-4 on our cluster. 
 I want to know if there is any benchmarking activity already goin on? I have 
 browsed and got benchmarking for gromacs-3 and it seems that gromacs-4 is 
 much more scalable and faster than gromacs-3. 
Can somebody suggest me with the standard dataset that can be used for 
 benchmarking?

The old benchmark suite is long out of date. Unless you're planning hardware 
purchases, the usual thing of actual interest is how fast your actual 
simulation systems of interest run on your actual hardware, and you are best 
placed to gather that data. :-) An external benchmark might be nice, but 
chances are there's so much difference between what it tested and what you 
need, that any conclusions would need a big grain of salt, and you'd still have 
to go and test for yourself...

Mark

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Re: [gmx-users] Gromacs-4 benchmarking

2010-08-10 Thread Rossen Apostolov

 On 8/10/10 8:40 AM, vivek sharma wrote:

Hi There,
I want to benchmark the scalability and speed for gromacs-4 on our 
cluster.
I want to know if there is any benchmarking activity already goin on? 
I have browsed and got benchmarking for gromacs-3 and it seems that 
gromacs-4 is much more scalable and faster than gromacs-3.
Can somebody suggest me with the standard dataset that can be used for 
benchmarking?


thanks,
Vivek
We have a benchmarking suite under development and we'll post an 
announcement when it's ready.


Rossen
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