Re: [AMBER] configuring AmberTools 1.5 for Intel MKL

From: Brendan Duggan <bmduggan.musc.edu>
Date: Thu, 12 May 2011 21:24:01 -0400

Thanks Jason. Changing the config.h file to match the directory names on my
machines is what I have been doing, but I wasn't sure if this was a common
problem or not.

Just out of curiousity, what is the more common platform?

brendan

On Thu, May 12, 2011 at 7:02 PM, Jason Swails <jason.swails.gmail.com>wrote:

> 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
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu May 12 2011 - 18:30:03 PDT
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