Re: [AMBER] Intel Compiler and MKL

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Fri, 27 Mar 2015 17:14:22 -0400

Hi,

I see your context now.
If you want linking to MKL and this exists on your computer:
/opt/intel/composer_xe_2015.1.133/mkl
then you should set MKL_HOME to it.

More or less, since Intel compilers version 11, MKL has been bundled with
the compilers and the compilers have offered the option -mkl for linking.
Amber will start to support that in the next release, but until then you
must use the MKL_HOME approach.

scott

On Fri, Mar 27, 2015 at 04:39:16PM -0400, Novosielski, Ryan wrote:
> Yeah, I saw that, but I wasn???t sure if using the Intel compiler would automatically cause that to happen. I know that the script for the Intel compiler adds include PATHs for it (eg.: INCLUDE=/opt/intel/composer_xe_2015.1.133/mkl/include). Looks like mine was not built with the Intel MKL however:
>
> MKL=
> MKL_PROCESSOR=
>
> > On Mar 27, 2015, at 4:04 PM, Scott Brozell <sbrozell.rci.rutgers.edu> wrote:
> >
> > Hi,
> >
> > You need to specify, currently by defining the environment variable MKL_HOME.
> >> From ./configure --help
> >
> > MKL_HOME If set then link in Intel's MKL libraries (intel, gnu)
> >
> > E.g. for bash,
> >
> > export MKL_HOME=/usr/local/intel/composer_xe_2011_sp1.10.319/mkl
> >
> > To verify inspect the configure output or search for mkl in $AMBERHOME/config.h
> >
> > scott
> >
> > On Fri, Mar 27, 2015 at 02:03:32PM -0400, Novosielski, Ryan wrote:
> >> Pretty simple question: if I have built with the Intel compiler, do I also need to specify/be sure I???m using the Intel MKL if I want to be, or does that happen automatically? What is the easiest way to check what happened?

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Received on Fri Mar 27 2015 - 14:30:03 PDT
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