<div id=":1ve" class="ii gt"><div id=":1vd"><pre><font size="2">Thank you, I have been to that page probably a good 100 times by now. <br><br>Was the 'No.' response with regards to my primary question? Or to the one within the parentheses?<br>
<br>Suppose I remove my existing installation and reinstall, I am hoping to figure out when/where exactly should I specify --program-suffix=_mpi so as to not overwrite the pre-existing serial mdrun as I have mistakenly done so with my current installation. <br>
<br><br></font><div class="im"><font><font size="2"><i>./configure --enable-mpi --program-suffix=_mpi<br></i><i>make mdrun<br></i><i>make install-mdrun<br></i><i>make links</i></font></font><br><br></div>Lastly, if the above set of commands are incorrect, or will not carry out what I intend (to build a separate mdrun_mpi executable apart from the existing mdrun after a normal build), I am kindly requesting for a suitable revision.<br>
<br><br><font size="2"><br>Thanks,<br>Justin<div class="im"><br><br>On 26/01/2011 8:50 AM, Justin Kat wrote:<br>><i> Alright. So meaning I should have instead issued:<br></i>><i><br></i>><i> ./configure --enable-mpi --program-suffix=_mpi<br>
<br><br></i>><i> make mdrun<br></i>><i> make install-mdrun<br></i>><i> make links<br></i>><i><br></i>><i> to have installed an MPI-enabled executable called mdrun_mpi apart <br></i>><i> from the existing mdrun executable? (Would I also need to append the <br>
<br><br></i>><i> _mpi suffix when issuing the first two make and make install commands <br></i>><i> above?<br></i><br></div>No. See <a href="http://www.gromacs.org/Downloads/Installation_Instructions" target="_blank">http://www.gromacs.org/Downloads/Installation_Instructions</a><br>
<br><br><br>Mark<br><br>><i><br></i>><i> Thanks,<br></i>><i> Justin<br></i>><i><br></i>><i> On Mon, Jan 24, 2011 at 8:08 PM, Justin A. Lemkul <<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">jalemkul at vt.edu</a> <br>
<br><br></i><div><div><span id="q_12dc38705a06f020_5" class="h4">- Show quoted text -</span></div><div class="h5">><i> <mailto:<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">jalemkul at vt.edu</a>>> wrote:<br>
</i>><i><br></i>><i><br></i>><i><br></i>><i> Justin Kat wrote:<br><br></i>><i> > Thank you for the reply!<br><br></i>><i> ><br></i>><i> > hmm mdrun_mpi does not appear in the list of executables in<br>
</i>><i> > /usr/local/gromacs/bin (and well therefore not in /usr/local/bin).<br></i>><i> ><br><br><br></i>><i> > Which set of installation commands that I used should have<br></i>><i> compiled the<br>
</i>><i> > mdrun_mpi executable? And how should I go about getting the<br></i>><i> mdrun_mpi<br><br><br></i>><i> > executable at this point?<br></i>><i> ><br></i>><i><br></i>><i> I see it now. When you configured with --enable-mpi, you didn't<br>
</i>><i> specify<br></i>><i> --program-suffix=_mpi, so the installation procedure over-wrote<br><br><br></i>><i> your existing<br></i>><i> (serial) mdrun with an MPI-enabled one simply called "mdrun." The<br>
</i>><i> configure<br></i>><i> output should have warned you about this. You could, in theory,<br><br><br></i>><i> simply re-name<br></i>><i> your existing executable "mdrun_mpi" and then re-install a serial<br>
</i>><i> mdrun, if you<br></i>><i> need it.<br></i>><i><br></i>><i> -Justin<br><br><br></i>><i><br></i>><i> --<br></i>><i> ========================================<br></i>><i><br>
</i>><i> Justin A. Lemkul<br></i>><i> Ph.D. Candidate<br></i>><i> ICTAS Doctoral Scholar<br><br><br></i>><i> MILES-IGERT Trainee<br></i>><i> Department of Biochemistry<br></i>><i> Virginia Tech<br>
</i>><i> Blacksburg, VA<br></i></div></div>><i> jalemkul[at]<a href="http://vt.edu/" target="_blank">vt.edu</a> <<a href="http://vt.edu/" target="_blank">http://vt.edu</a>> | (540) 231-9080<br><br><br>
</i><div class="im">><i> <a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br></i>><i><br></i>><i> ========================================<br>
<br><br></i>><i> --<br></i></div>><i> gmx-users mailing list <a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">gmx-users at gromacs.org</a><br></i>><i> <mailto:<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">gmx-users at gromacs.org</a>><br>
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