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 <[email protected]> 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 <[email protected]> > Sent: Wednesday, May 05, 2010 5:15 PM > To: Discussion list for GROMACS users <[email protected]> > 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 [email protected] >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to [email protected]. >> 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 > > ======================================== > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
