Re: [AMBER] configuring AmberTools 1.5 for Intel MKL

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 13 May 2011 01:02:30 +0200

On Thu, May 12, 2011 at 6:13 PM, Brendan Duggan <bmduggan.musc.edu> wrote:

> Recently I have been installing AmberTools 1.5 on some 32 bit machines
> running Fedora 14. I am using the Intel 12.0 compilers. Executing
> "./configure -nomtkpp intel" produces a config.h file which has "32"
> instead
> of "ia32" in some of the FLIBSF lines. In the configure script under the
> heading "Configure the MKL and GOTO libraries:" I find the following two
> lines:
>
> mkll="$MKL_HOME/lib/32"
> mkl_processor="32"
>
> Should these two lines have "ia32" instead of "32"?
>

If the directory $MKL_HOME/lib/32 does NOT exist and $MKL_HOME/lib/ia32
DOES, then yes, it should be ia32 instead. This is increasingly becoming a
less common platform, so may slip through the cracks when the configure
script is modified.

Also, Intel isn't satisfied unless they change compiler/library behavior
every other version/revision, so it could be that you need ia32 for the MKL
shipped with ifort 12, but 32 is needed for ifort 11 and lower...

HTH,
Jason


> Brendan
> _______________________________________________
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> AMBER.ambermd.org
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu May 12 2011 - 16:30:02 PDT
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