Re: [ccp4bb] : Crystallographic Programs on AMD computers

- Protein crystallography

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Re: : Crystallographic Programs on AMD computers
From: "Edward A {- dot -} Berry" EABerry {- at -} LBL {- dot -} GOV
Date: 2007-04-12

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Subject: Re: : Crystallographic Programs on AMD computers
From: Kay Diederichs kay {- dot -} diederichs {- at -} UNI-KONSTANZ {- dot -} DE
Date: 2007-04-13

Subject: Re: : Crystallographic Programs on AMD computers
From: mjvdwoerd {- at -} NETSCAPE {- dot -} NET mjvdwoerd {- at -} NETSCAPE {- dot -} NET
Date: 2007-04-12

We have made the change to 64 bit computers and indeed it is a bit confusing to have to think 'twice' (32/64 bits). I guess that the argument can be made that eventually all computers will be 64 (or more) bit and therefore staying with 32 bits on a new computer is like holding back 'progress'? :-)
I agree with Kay that (today) there really is not all that much advantage to running under 64 bit.

We purchased the Intel Fortran compiler so we can compile and optimize CNS. I did some tests comparing CNS performance when compiled with g77 (which I could not get to work at all on 64 bit machines), gfortran (works, but not so fast), and Intel (works and very fast).

We felt that spending the money to purchase an Intel compiler for CNS was worthwhile. For academics and government they have special rates. All other programs I have used 'out of the box'.

We use the standard C-compiler. Intel sells those too, but I could not find as big a difference and saved that money.

Mark

-----Original Message-----
From: EABerry@LBL.GOV
To: CCP4BB@JISCMAIL.AC.UK
Sent: Thu, 12 Apr 2007 4:54 PM
Subject: Re: [ccp4bb] : Crystallographic Programs on AMD computers

Kay Diederichs wrote:
> > the CPU (AMD versus Intel) does not play any role for crystallographic > computing, but you'll have to decide whether you want to install the > 64bit or the 32bit version of RHEL4.
> 32bit programs run a bit faster on a 64bit operating system, and with a > 64bit OS you can run programs which require arrays of more than 3.5 GB > (seldomly needed in xtallography), but you will have to install in > parallel many 32- and 64bit libraries. This is no problem by itself, but > quite confusing at first ...
> So I recommend the 32bit version.
>
Any reccommendation for compilers ( c and fortran)?

Probably a dumb question, but is there any advantage in using the
64-bit-aware intel compilers on an AMD processor?

Ed

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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: : Crystallographic Programs on AMD computers
From: "Edward A {- dot -} Berry" EABerry {- at -} LBL {- dot -} GOV
Date: 2007-04-12

Next message:
Subject: Re: : Crystallographic Programs on AMD computers
From: Kay Diederichs kay {- dot -} diederichs {- at -} UNI-KONSTANZ {- dot -} DE
Date: 2007-04-13