Re: [gmx-users] Barcelona vs Xeon

2007-11-29 Thread Martin Höfling
Thanks Carsten and Berk for your hints!

since availability of barcelona cpu's is poor and your hints point out that 
xeon will perform better (in future), I'think it's the right choice atm.

Best
Martin

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Re: [gmx-users] Barcelona vs Xeon

2007-11-28 Thread Berk Hess

Hi,

For Gromacs 4.0, which will come out in a few months, the situation will be
quite different. The parallelization has been much improved and automatic
sorting of atoms optimizes the memory access a lot.
Both these things have much more effect on the Core2 CPUs which don't
have hypertransport or a built in memory controller.
So both the scaling and the absolute will go up significantly for Core2
and only slightly for AMD CPUs.

Berk.


From: Carsten Kutzner <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users 
To: Discussion list for GROMACS users 
Subject: Re: [gmx-users] Barcelona vs Xeon
Date: Wed, 28 Nov 2007 09:55:05 +0100

Hi Martin,

we have carried out benchmarks on a Barcelona 2.0 GHz versus a 2.3 GHz
Clovertown. Here are numbers for an 8 atom system with PME
electrostatics and Gromacs 3.3.1.

On the Barcelona we get a performance of 0.38, 0.71, 1.27 and 2.40
ns/day for 1, 2, 4, and 8 CPUs, respectively. On the Clovertown we get
0.52, 0.97, 1.75, and 2.74 ns/day. So indeed the scaling on the AMDs is
much better on 8 CPUs (80% compared to 66%), but the absolute
performance is better on the Intels.

For a 2.0 GHz Clovertown the absolute performance on 8 CPUs is probably
nearly the same as on a Barcelona, but the single-CPU performance will
still be better on the Clovertown. One has to keep in mind, however,
that this is just a single benchmark and other MD systems might show a
different scaling behaviour.

Carsten



Martin Höfling wrote:
> Hi all,
>
> Barcelona 1.9GHz vs Xeon 2.0GHz
>
> has anyone here benchmarked these two available 8-core solutions? 
Speed/core

> wins probably the intel side but what about scaling on 8 cores? Has the
> NUMA/Hypertransport architecture an advantage here?
>
> In price, they are very similar. Xeon is of course available with higher
> frequencies but also increases in cost/cpu very fast.
>
> Best
>Martin
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--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics Department
Am Fassberg 11
37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/research/dep/grubmueller/
http://www.gwdg.de/~ckutzne
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Re: [gmx-users] Barcelona vs Xeon

2007-11-28 Thread Carsten Kutzner
Hi Martin,

we have carried out benchmarks on a Barcelona 2.0 GHz versus a 2.3 GHz
Clovertown. Here are numbers for an 8 atom system with PME
electrostatics and Gromacs 3.3.1.

On the Barcelona we get a performance of 0.38, 0.71, 1.27 and 2.40
ns/day for 1, 2, 4, and 8 CPUs, respectively. On the Clovertown we get
0.52, 0.97, 1.75, and 2.74 ns/day. So indeed the scaling on the AMDs is
much better on 8 CPUs (80% compared to 66%), but the absolute
performance is better on the Intels.

For a 2.0 GHz Clovertown the absolute performance on 8 CPUs is probably
nearly the same as on a Barcelona, but the single-CPU performance will
still be better on the Clovertown. One has to keep in mind, however,
that this is just a single benchmark and other MD systems might show a
different scaling behaviour.

Carsten



Martin Höfling wrote:
> Hi all,
> 
> Barcelona 1.9GHz vs Xeon 2.0GHz
> 
> has anyone here benchmarked these two available 8-core solutions? Speed/core 
> wins probably the intel side but what about scaling on 8 cores? Has the 
> NUMA/Hypertransport architecture an advantage here?
> 
> In price, they are very similar. Xeon is of course available with higher 
> frequencies but also increases in cost/cpu very fast.
> 
> Best
>   Martin
> ___
> gmx-users mailing listgmx-users@gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to [EMAIL PROTECTED]
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

-- 
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics Department
Am Fassberg 11
37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/research/dep/grubmueller/
http://www.gwdg.de/~ckutzne
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