Re: [AMBER] Intel Compiler and MKL

From: Scott Brozell <>
Date: Fri, 27 Mar 2015 16:04:44 -0400


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


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?

AMBER mailing list
Received on Fri Mar 27 2015 - 13:30:02 PDT
Custom Search