<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">Hi Erik,<DIV><BR class="khtml-block-placeholder"></DIV><DIV>Thanks for the tips, but I still can't get it to find MKL. Although I did get the CPPFLAGS to work once I realized that I had inadvertantly used a "-L" in the line instead of the "-I". </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Anyway, it still can't seem to find the MKL libraries, I've tried all of the following:</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal normal normal 12px/normal Helvetica; min-height: 14px; "><BR></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><FONT class="Apple-style-span" face="Courier">export LDFLAGS=-L/Library/Frameworks/Intel_MKL.framework/Libraries/universal/lib</FONT></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><FONT class="Apple-style-span" face="Courier">export LDFLAGS=-L/Library/Frameworks/Intel_MKL.framework/Libraries/em64t/lib</FONT></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><FONT class="Apple-style-span" face="Courier">export LDFLAGS=-L/Library/Frameworks/Intel_MKL.framework/Libraries/32/lib</FONT></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><BR class="khtml-block-placeholder"></DIV><DIV><DIV><SPAN class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; ">but I get the following:</SPAN></DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><FONT class="Apple-style-span" face="Courier">configure: Using built-in math library with intel compiler</FONT></DIV><DIV><FONT class="Apple-style-span" face="Courier">checking for mkl_dfti.h... yes</FONT></DIV><DIV><FONT class="Apple-style-span" face="Courier">checking for DftiComputeForward in -lmkl... no</FONT></DIV><DIV><FONT class="Apple-style-span" face="Courier">configure: error: Cannot find Intel Math Kernel Library >= 6.0</FONT></DIV><DIV><SPAN class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><BR class="Apple-interchange-newline"><P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px">Where is it looking for MKL by default? Maybe I can just create symlinks to that location?<BR></P><P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR class="khtml-block-placeholder"></P><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Warner Yuen</FONT></P><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Scientific Computing Consultant</FONT></P><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Apple Computer</FONT></P><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">email: <A href="mailto:wyuen@apple.com">wyuen@apple.com</A></FONT></P><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Tel: 408.718.2859</FONT></P><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Fax: 408.715.0133</FONT></P><BR class="Apple-interchange-newline"></SPAN> </DIV><BR><DIV><DIV>On Mar 6, 2007, at 1:53 AM, <A href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</A> wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite"><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Message: 4</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Date: Tue, 6 Mar 2007 09:09:00 +0100</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">From: Erik Lindahl <<A href="mailto:lindahl@cbr.su.se">lindahl@cbr.su.se</A>></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Subject: Re: [gmx-users] Mac OS X with MKL</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">To: Discussion list for GROMACS users <<A href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A>></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Message-ID: <<A href="mailto:AE25986A-2F84-4E5D-9907-91088C34ABC8@cbr.su.se">AE25986A-2F84-4E5D-9907-91088C34ABC8@cbr.su.se</A>></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Hi Warner,</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">On Mar 6, 2007, at 8:04 AM, Warner Yuen wrote:</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <BLOCKQUOTE type="cite"><P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Hi Gromacs folks,</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">I'm trying to build Gromacs with MKL on Mac OS X. I am running the <SPAN class="Apple-converted-space"> </SPAN></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">configuration with:</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">./configure --prefix=/Users/wyuen/west/gromacs/gromacs_icc64 --<SPAN class="Apple-converted-space"> </SPAN></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">enable-mpi --enable-float --with-fft=mkl</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">But I am getting the following error:</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">checking for mkl_dfti.h... yes</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">checking for DftiComputeForward in -lmkl... no</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">configure: error: Cannot find Intel Math Kernel Library >= 6.0</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Does anyone know where or how to set things so it'll know where to <SPAN class="Apple-converted-space"> </SPAN></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">find the libraries? BTW, it only found "mkl_dfti.h" because I <SPAN class="Apple-converted-space"> </SPAN></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 10.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">altered the configure file.</FONT></P> </BLOCKQUOTE><P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">That is a very bad idea - configure is autogenerated and should never <SPAN class="Apple-converted-space"> </SPAN></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">be touched :-)</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">configure simply searches in the default include and library paths <SPAN class="Apple-converted-space"> </SPAN></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">set up for the compiler/system, so what you need to do (for any <SPAN class="Apple-converted-space"> </SPAN></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">external library) is to tell it where to find the header file before <SPAN class="Apple-converted-space"> </SPAN></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">running configure:</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">export CPPFLAGS=-I/opt/intel/.../include</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">and then the library to link with:</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">export LDFLAGS=-L/opt/intel/.../lib</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">If you have multiple library/include locations to search they should <SPAN class="Apple-converted-space"> </SPAN></FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">be separated with ":".</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Cheers,</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><BR></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">Erik</FONT></P> </BLOCKQUOTE></DIV><BR></DIV></BODY></HTML>