David, thanks for answering.<br>strange. i've installed one version of gromacs on the front end machinne but when it tries to run mprun_mpi it says that cannot find it (obvously because is searching on a node that is not the frontend machinne).
<br>Where can i find a step by step example of working with gromacs-mpi???<br>I'm the administrator of the cluster and know nothing about molecules :(<br>Thanks<br>Francisco<br><br><div><span class="gmail_quote">On 6/9/06,
<b class="gmail_sendername">David van der Spoel</b> <<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</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;">
Francisco Tufró wrote:<br>> Hello list,<br>> My name is Francisco and I'm configuring a cluster to run gromacs using mpi.<br>> As far as i concern i have to install both gromacs and gromacs-mpi. The<br>> question is: do i have to install it on every cluster machinne?
<br>> i have made some tests and it seems that the answer is yes, but i would<br>> like to ask to you before continuing.<br>> If anyone has successfuly configured gromacs-mpi (i'm using the rocks<br>> cluster
4.0) please contactme to share the experience.<br>> Thanks!<br><br>That's probably the most common combination.<br>You just need one version of gromacs<br>./configure --enable-mpi<br><br><br><br>> Francisco Tufró.<br>
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