Hi, I have never tried to compile gromacs with MKL, but you could try to configure with CFLAGS="-framework mkl"
Hope this helps, Rui Rodrigues On Wed, 5 May 2010 12:15:23 -0400, Emily Curtis wrote > I apologize in advance if this is a very stupid question. I am trying to > configure GROMACS on a mac. I have the intel MKL installed. > > *When I type the following:* > > ./configure --with-fft=mkl > CPPFLAGS="-I/Developer/opt/intel/Compiler/11.1/067/Frameworks/mkl/include" > LDFLAGS="-L/Developer/opt/intel/Compiler/11.1/067/Frameworks/mkl/lib" > > *I get the following error message (I am only including the last few lines): > * > * > * > * > checking for special C compiler options needed for large files... no > checking for _FILE_OFFSET_BITS value needed for large files... no > checking for _LARGEFILE_SOURCE value needed for large files... no > checking for sqrt in -lm... yes > checking for mkl.h... yes > checking for DftiComputeForward in -lmkl... no > configure: error: Cannot find Intel Math Kernel Library >= 6.0 > * > > I don't understand why it is not finding my Math Kernal Library. I also do > not understand what DftiComputeForward it is looking for. Do you think I am > simply pointing it to the wrong directory? I would really appreciate any > help or suggestions. > > Emily -- Webmail ESTG de Leiria (http://webmail.estg.ipleiria.pt) -- 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
