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Hi,<div><br class="webkit-block-placeholder"></div><div>Well, I have a much simpler solution - there is no reason whatsoever to use fortran on ia32 or x86-64 since Gromacs will always use the much faster SSE assembly loops.</div><div><br class="webkit-block-placeholder"></div><div>Cheers,</div><div><br class="webkit-block-placeholder"></div><div>Erik</div><div><br class="webkit-block-placeholder"></div><div><br><div><div>On Sep 13, 2007, at 8:44 AM, Diego Enry wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">This works for me:<br><br>% vim /etc/ld.conf<br><br>/opt/intel/mkl/8.0/lib/em64t/ <<<= only if you have installed MKL<br>/opt/intel/fce/9.0/lib/<br>/opt/intel/cce/9.0/lib/<br><br>then run <br>% ldconfig<br> <br><br>If you wish, you may also add the 32bit libs:<br>/opt/intel/mkl/8.0/lib/32/ <<<= only if you have installed MKL<br> /opt/intel/fc/9.0/lib/ <br> /opt/intel/cc/9.0/lib/<br> <br><br><br><div><span class="gmail_quote">On 9/13/07, <b class="gmail_sendername">liu xin</b> <<a href="mailto:zgxjlx@gmail.com">zgxjlx@gmail.com</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"> Dear GMX-users:<br><br>I've searched the list but couldnt find something usful for me, and this is how I did it so far :<br><br>source /opt/intel/fce/version/bin/ifortvars.sh<br>export F77=ifort<br>export CPPFLAGS=-I/home/xin/programs/fftw312/include <br>export LDFLAGS=-L/home/dong/programs/fftw312/lib<br>configure --prefix=/home/xin/programs/gromacs331 --enable-fortran --enable-mpi<br>make mdrun<br>make install-mdrun<br><br>after the installation, I tried to do the mdrun: <br>mpirun -np 2 /home/xin/programs/gromacs331/mdrun -s ...<br>and then I got the following error message:<br>error while loading shared libraries: libsvml.so: cannot open shared object file: No such file or directory<br> <br>The OS of my pc is SUSE 9.3. And I found that the "missing" file, libsvml.so, was in /opt/intel/fce/version/lib<br>Is there something wrong with my steps? or shoould I add some FFLAGS? <br>I am not very familiar with fortran and Linux, any suggestions will be appreciated! <br><span class="sg"><br>Xin Liu<br> </span><br>_______________________________________________<br>gmx-users mailing list <a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a onclick="return top.js.OpenExtLink(window,event,this)" href="http://www.gromacs.org/mailman/listinfo/gmx-users" target="_blank"> http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at <a onclick="return top.js.OpenExtLink(window,event,this)" 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 onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:gmx-users-request@gromacs.org"> gmx-users-request@gromacs.org</a>.<br>Can't post? Read <a onclick="return top.js.OpenExtLink(window,event,this)" href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php </a><br></blockquote></div><br><br clear="all"><br>-- <br>Diego Enry B. Gomes<br>Laboratório de Modelagem e Dinamica Molecular<br>Universidade Federal do Rio de Janeiro - Brasil. <div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">_______________________________________________</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">gmx-users mailing list<span class="Apple-converted-space"> </span><a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Please search the archive at <a href="http://www.gromacs.org/search">http://www.gromacs.org/search</a> before posting!</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Please don't post (un)subscribe requests to the list. Use the<span class="Apple-converted-space"> </span></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a></div> </blockquote></div><br></div></body></html>