[gmx-users] Mac OS X with MKL

[Emily Curtis]

Anthony,

Thank you very much!!!!  Your suggestions worked!  I really appreciate your
help...I have been trying to figure this out for hours!  Have a good night!

Emily

On Wed, May 5, 2010 at 9:55 PM, Anthony Cruz Balberdi <acb15885 at uprm.edu>wrote:

> Sorry for my bad english... That happens to me but in linux. If you
> are using mkl >= 10 you need to change the way the libraries are
> called. Search the configuration file for the lines were the mkl are
> called. Search for -lmkl and change -lmkl with -lmkl_i n t e l_lp64
> -lmkl_sequential -lmkl_core
>
> Also you will need to specified the path to the include and lib for mkl
> with
>
>  CPPFLAGS="-I/o p t / i n t e l /m k l / 1 0 . 0 . 2 . 0 1 8 / i n c l u d
> e /"
>
> LDFLAGS="-L/ o p t / i n t e l /m k l / 1 0 . 0 . 2 . 0 1 8 / l i b /
> e m 6 4 t "
>
>  But use the correct path. Hope this help. If you gat confused google
> for gromacs intel.
>
> Best regards
>
> Anthony
>
> On Wed, May 5, 2010 at 7:25 PM, Anthony Cruz Balberdi
> <anthony.cruz5 at upr.edu> wrote:
> > Sorry for my bad english... That happens to me but in linux. If you are
> using mkl >= 10 you need to change the way the libraries are called. Search
> the configuration file for the lines were the mkl are called. Search for
> -lmkl and change -lmkl with -lmkl_i n t e l_lp64 -lmkl_sequential -lmkl_core
> >
> > Also you will need to specified the path to the include and lib for mkl
> with
> >
> >  CPPFLAGS="-I/o p t / i n t e l /m k l / 1 0 . 0 . 2 . 0 1 8 / i n c l u
> d e /"
> >
> > LDFLAGS="-L/ o p t / i n t e l /m k l / 1 0 . 0 . 2 . 0 1 8 / l i b / e m
> 6 4 t "
> >
> >  But use the correct path. Hope this help. If you gat confused google for
> gromacs intel.
> >
> > Best regards
> >
> > Anthony
> >
> > -----Original Message-----
> > From: Justin A. Lemkul <jalemkul at vt.edu>
> > Sent: Wednesday, May 05, 2010 5:15 PM
> > To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> > Subject: Re: [gmx-users] Mac OS X with MKL
> >
> >
> >
> > Emily Curtis wrote:
> >> Hi.  I am also trying to build Gromacs with MKL on a Mac OS X.  I get
> the same error that you reported:
> >>
> >> checking for mkl.h... yes
> >> checking for DftiComputeForward in -lmkl... no
> >> configure: error: Cannot find Intel Math Kernel Library >= 6.0
> >>
> >>
> >> Did you ever figure out how to fix this?  I would really appreciate your
> help.
> >
> > I don't have much to contribute other than that this has been an issue
> for a
> > long time apparently:
> >
> > http://lists.gromacs.org/pipermail/gmx-users/2007-March/026158.html
> >
> > Those are the only tips I could find in the archive.
> >
> > Try using FFTW instead, maybe :)
> >
> > -Justin
> >
> >>
> >> Emily--
> >> gmx-users mailing list    gmx-users at gromacs.org
> >> http://lists.gromacs.org/mailman/listinfo/gmx-users
> >> Please search the archive at http://www.gromacs.org/search before
> posting!
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> >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> >>
> >
> > --
> > ========================================
> >
> > Justin A. Lemkul
> > Ph.D. Candidate
> > ICTAS Doctoral Scholar
> > MILES-IGERT Trainee
> > Department of Biochemistry
> > Virginia Tech
> > Blacksburg, VA
> > jalemkul[at]vt.edu | (540) 231-9080
> > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> >
> > ========================================
> > --
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> >
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