Alright. So meaning I should have instead issued:<br><br><pre style="font-family: arial,helvetica,sans-serif;"><font size="2">./configure --enable-mpi --program-suffix=_mpi <code></code></font></pre><pre style="font-family: arial,helvetica,sans-serif;">
<font size="2">make mdrun</font></pre>
<pre style="font-family: arial,helvetica,sans-serif;"><font size="2">make install-mdrun</font></pre><pre><font style="font-family: arial,helvetica,sans-serif;" size="2">make links</font></pre><br>to have installed an MPI-enabled executable called mdrun_mpi apart from the existing mdrun executable? (Would I also need to append the _mpi suffix when issuing the first two make and make install commands above?<br>
<br>Thanks,<br>Justin<br><br><div class="gmail_quote">On Mon, Jan 24, 2011 at 8:08 PM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div class="im"><br>
<br>
Justin Kat wrote:<br>
> Thank you for the reply!<br>
><br>
> hmm mdrun_mpi does not appear in the list of executables in<br>
> /usr/local/gromacs/bin (and well therefore not in /usr/local/bin).<br>
><br>
> Which set of installation commands that I used should have compiled the<br>
> mdrun_mpi executable? And how should I go about getting the mdrun_mpi<br>
> executable at this point?<br>
><br>
<br>
</div>I see it now. When you configured with --enable-mpi, you didn't specify<br>
--program-suffix=_mpi, so the installation procedure over-wrote your existing<br>
(serial) mdrun with an MPI-enabled one simply called "mdrun." The configure<br>
output should have warned you about this. You could, in theory, simply re-name<br>
your existing executable "mdrun_mpi" and then re-install a serial mdrun, if you<br>
need it.<br>
<font color="#888888"><br>
-Justin<br>
</font><div><div></div><div class="h5"><br>
--<br>
========================================<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>
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