Re: [AMBER-Developers] reference os+compiler systems

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 10 Mar 2016 13:05:15 -0700

Benchmarks for my local machine (intel core i7-2600 3.4 GHz), x86_64.
Current GIT master (8685600c1b3862670b1de0549776a687c1520aea).
$AMBERHOME/benchmarks/dhfr

GNU: 5.3.1
./configure gnu
sander: 0.49 ns/day
pmemd: 1.13 ns/day

Intel: 14.0.0
./configure intel
sander: 0.55 ns/day
pmemd: 1.42 ns/day

About 1.1-1.2x - not as large as the speedup that Ross saw but still not bad.

I'll look at some cpptraj benchmarks in a bit.

-Dan

On Thu, Mar 10, 2016 at 12:53 PM, Gerald Monard
<Gerald.Monard.univ-lorraine.fr> wrote:
>
>
> On 03/10/2016 06:03 PM, David A Case wrote:
>> Could you say how much faster (for some example)? (Aside: you can use MKL
>> + gnu compilers, if that makes any difference).
>>
>> ...thx...dac
>
> I'll try to provide some benchmarks for next week.
> Best,
>
> Gerald.
>
>
> --
> ____________________________________________________________________________
>
> Prof. Gerald MONARD
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>
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-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Mar 10 2016 - 12:30:03 PST
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