Anthony,<div><br></div><div>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!</div><div><br></div><div>Emily<br><br><div class="gmail_quote">
On Wed, May 5, 2010 at 9:55 PM, Anthony Cruz Balberdi <span dir="ltr"><<a href="mailto:acb15885@uprm.edu">acb15885@uprm.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Sorry for my bad english... That happens to me but in linux. If you<br>
are using mkl >= 10 you need to change the way the libraries are<br>
called. Search the configuration file for the lines were the mkl are<br>
called. Search for -lmkl and change -lmkl with -lmkl_i n t e l_lp64<br>
-lmkl_sequential -lmkl_core<br>
<br>
Also you will need to specified the path to the include and lib for mkl with<br>
<br>
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 /"<br>
<br>
LDFLAGS="-L/ o p t / i n t e l /m k l / 1 0 . 0 . 2 . 0 1 8 / l i b /<br>
e m 6 4 t "<br>
<br>
But use the correct path. Hope this help. If you gat confused google<br>
for gromacs intel.<br>
<br>
Best regards<br>
<br>
Anthony<br>
<br>
On Wed, May 5, 2010 at 7:25 PM, Anthony Cruz Balberdi<br>
<<a href="mailto:anthony.cruz5@upr.edu">anthony.cruz5@upr.edu</a>> wrote:<br>
> 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<br>
><br>
> Also you will need to specified the path to the include and lib for mkl with<br>
><br>
> 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 /"<br>
><br>
> 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 "<br>
><br>
> But use the correct path. Hope this help. If you gat confused google for gromacs intel.<br>
><br>
> Best regards<br>
><br>
> Anthony<br>
<div class="im">><br>
> -----Original Message-----<br>
> From: Justin A. Lemkul <<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>><br>
> Sent: Wednesday, May 05, 2010 5:15 PM<br>
> To: Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>><br>
> Subject: Re: [gmx-users] Mac OS X with MKL<br>
><br>
><br>
><br>
> Emily Curtis wrote:<br>
>> Hi. I am also trying to build Gromacs with MKL on a Mac OS X. I get the same error that you reported:<br>
>><br>
>> checking for mkl.h... yes<br>
>> checking for DftiComputeForward in -lmkl... no<br>
>> configure: error: Cannot find Intel Math Kernel Library >= 6.0<br>
>><br>
>><br>
>> Did you ever figure out how to fix this? I would really appreciate your help.<br>
><br>
> I don't have much to contribute other than that this has been an issue for a<br>
> long time apparently:<br>
><br>
> <a href="http://lists.gromacs.org/pipermail/gmx-users/2007-March/026158.html" target="_blank">http://lists.gromacs.org/pipermail/gmx-users/2007-March/026158.html</a><br>
><br>
> Those are the only tips I could find in the archive.<br>
><br>
> Try using FFTW instead, maybe :)<br>
><br>
</div>> -Justin<br>
><br>
>><br>
>> Emily--<br>
<div class="im">>> gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>
>> <a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>
>> Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> before posting!<br>
>> Please don't post (un)subscribe requests to the list. Use the<br>
>> www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br>
>> Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a><br>
>><br>
><br>
</div>> --<br>
<div class="im">> ========================================<br>
><br>
> Justin A. Lemkul<br>
> Ph.D. Candidate<br>
> ICTAS Doctoral Scholar<br>
> MILES-IGERT Trainee<br>
> Department of Biochemistry<br>
> Virginia Tech<br>
> Blacksburg, VA<br>
> jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | (540) 231-9080<br>
> <a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br>
><br>
> ========================================<br>
> --<br>
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</div></div></blockquote></div><br></div>