[phenixbb] Hardward phenix.refine

Xiao Lei xiaoleiusc at gmail.com
Tue Apr 12 21:52:14 PDT 2016


Hi Collin,

If you prefer both fast system and 3D coot or pymol, using Linux.  I do not
know if you can set up 3D in Mac.

On Tue, Apr 12, 2016 at 9:47 PM, Ray Changrui Lu <changrui at gmail.com> wrote:

> Dear Colin,
>
>
> I agree with everything Tim and Kay said above. i5 or i7 of the same
> frequency and core count will perform similarly with Xeons (even across all
> generations of intel core/xeon processors). Adding more cores will help the
> refining process (under linux and mac only), but unless the computer is
> being used simultaneously by multiple users, I do not see the
> cost-effectiveness in running a 36-core/72-thread dual Xeon E5.
>
> As to the OS choice, another interesting point regarding cost arises. Top
> performance Mac you can buy as of April 2016 is a 12-core 2.7Ghz Xeon (a
> 3-year old processor), setting you back a whooping 9000 USD. With the help
> of a tech-savvy student or postdoc, you can easily build something that
> runs circles around that mac pro with 1/3 of the cost. However you will
> have to live with Linux, which is not half bad if you get used to it.
>
> I personally still prefer OSX and I run an old dell optiplex with a
> quad-core i5 (apple won't be happy but it is their fault for not updating
> their product). It only took me half a day to put OSX and all
> crystallization software I need on it and everything run like a dream. Due
> to the lack of performance and high price of Mac Pros, if you want a fast
> Mac, building a hackintosh is your only choice as of today.
>
> Hope it helps.
>
> Changrui
>
> On Wed, Apr 13, 2016 at 3:57 AM, Kay Diederichs <
> kay.diederichs at uni-konstanz.de> wrote:
>
>> Colin,
>>
>> check out the first option in the FAQ at
>> https://www.phenix-online.org/documentation/faqs/refine.html
>>
>> A core i7 and a Xeon of the same generation are equally fast if their
>> frequency is the same. The main differences are that
>> - Xeon E3 supports ECC memory (most core i* don't)
>> - Xeon E5 supports Dual-CPU (core i* is just one)
>> - Xeon E7 supports multi-CPU and is very expensive
>> - most Xeons don't have built-in graphics whereas most core i* do
>> There are many other small differences but most of them irrelevant;
>> inspect the Wikipedia pages!
>>
>> Xeons won't be faster with phenix.refine; a core i7 already has enough
>> cores - to increase their usage you'll have to recompile as per the FAQ.
>>
>> HTH,
>>
>> Kay
>>
>> >
>> > Message: 1
>> > Date: Mon, 11 Apr 2016 07:56:39 +0000
>> > From: Colin Levy <C.Levy at manchester.ac.uk>
>> > To: "phenixbb at phenix-online.org" <phenixbb at phenix-online.org>
>> > Subject: [phenixbb] Hardward phenix.refine
>> > Message-ID: <773C4580-FA01-4246-86E9-2D73AFD98421 at manchester.ac.uk>
>> > Content-Type: text/plain; charset="us-ascii"
>> >
>> > Dear all,
>> >
>> > Having read the FAQ regarding hardware I have a few ideas but would
>> greatly appreciate any input from the community or developers.
>> >
>> > Would anyone like to suggest the best configuration of hardware for
>> running phenix.refine? I mainly operate in OSX but have no issue with
>> switching operating system if I can get a faster setup.  My current
>> thoughts are either something running a 4GHz Quad core i7 or an alternative
>> would be a 3.7GHz Quad-Core Intel Xeon E5 (iMac v Mac Pro) or equivalent
>> Linux builds.
>> >
>> > I know that the i7 is reasonably fast as I have this setup in a
>> different machine and phenix.refine runs reasonably quickly but as ever I
>> would like it to be faster. Budget is not unlimited by any means but I
>> would be interested in learning what an optimal setup might look like.
>> >
>> > Many thanks,
>> >
>> > Colin
>> >
>> >
>> > Manchester
>> > Protein
>> > Structure
>> > Facility
>> >
>> > Dr. Colin W. Levy
>> > MIB G034
>> > Tel.  0161 275 5090
>> > Mob.07786 197 554
>> > c.levy at manchester.ac.uk<mailto:c.levy at manchester.ac.uk>
>> >
>> >  Manchester Institute of Biotechnology | University of Manchester |
>> 3.020 Garside Building | 131 Princess Street | Manchester | M1 7DN
>>
>>
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>
>
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