Re: [AMBER] configuring AmberTools 1.5 for Intel MKL

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 13 May 2011 08:17:44 +0200

On Fri, May 13, 2011 at 3:24 AM, Brendan Duggan <bmduggan.musc.edu> wrote:

> 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?
>

64-bit :).


>
> 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
> > > _______________________________________________
> > > AMBER mailing list
> > > 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
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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 - 23:30:03 PDT
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