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 <[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 > > 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 >
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