Hi,<br><br><div class="gmail_quote">On Sun, Feb 20, 2011 at 4:50 PM, Jonathan Phillips <span dir="ltr"><<a href="mailto:994phij@gmail.com">994phij@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Hi,<br>
<br>
I'm relatively new to c, and am trying to learn in order to patch gromacs.<br>
I followed the git instructions on<br>
<a href="http://www.gromacs.org/Developer_Zone/Git/Git_Tutorial" target="_blank">http://www.gromacs.org/Developer_Zone/Git/Git_Tutorial</a>: when I run<br>
e.g. grompp it says I have 4.5.3-dev, but when I look at the source it<br>
says 3.2.03<br></blockquote><div>The version string in the source hasn't been updated in a long time.</div><div> </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
It looks like I'm going to need to learn threading. Here:<br>
<a href="http://www.gromacs.org/Documentation/Terminology/Threading" target="_blank">http://www.gromacs.org/Documentation/Terminology/Threading</a> it says<br>
that external MPI isn't needed in the latest versions, but the source<br>
seems to use thread_mpi.h does that mean that internal MPI is used and<br>
I still need to learn MPI, or something else?</blockquote><div>Yes currently the parallelization is with MPI. And thread_mpi is an internal MPI implementation.</div><div><br></div><div>Roland</div><div><br></div><div> </div>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><span class="Apple-style-span" style="color: rgb(136, 136, 136); ">--</span></blockquote><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
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</font></blockquote></div><br><br clear="all"><br>-- <br>ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>865-241-1537, ORNL PO BOX 2008 MS6309<br>