See here:<div><a href="http://www.gromacs.org/index.php?title=Download_%26_Installation/Installation_Instructions">http://www.gromacs.org/index.php?title=Download_%26_Installation/Installation_Instructions</a></div><div><br>
</div><div>(You don't need to change any files - instead you call ./configure --enable-mpi)<br><br><div class="gmail_quote">On Fri, Feb 26, 2010 at 8:49 AM, Andrew Voronkov <span dir="ltr"><<a href="mailto:drugdesign@yandex.ru">drugdesign@yandex.ru</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">You will need an up to date version of MPI or PVM. Set USE_MPI or USE_PVM to yes in your Makefile.$GMXCPU and type:<br>
cd $GMXHOME/src<br>
<br>
in which file should i type this? I can find <a href="http://makefile.in" target="_blank">makefile.in</a> and <a href="http://makefile.am" target="_blank">makefile.am</a> in the distribution directory where I unpack GROMACs and in the src directory. Which of them should I use? I haven't found USE_MPI in any of these two files. Please, can youi specify in which files should I find this USE_MPI?<br>
<br>
The GROMACS distribution is GROMACS-4.05<br>
<br>
PS should be environment somehow dirrefent for GROMACs when it is installed on clusteR?<br>
<br>
<br>
Best regards,<br>
Andrew<br>
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