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<p class=MsoNormal><font size=2 color=navy face="Comic Sans MS"><span
style='font-size:10.0pt;font-family:"Comic Sans MS";mso-bidi-font-family:Arial;
color:navy'>Hi,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face="Comic Sans MS"><span
style='font-size:10.0pt;font-family:"Comic Sans MS";mso-bidi-font-family:Arial;
color:navy'>I want to run <span class=SpellE>Gromacs</span> on a cluster of 46
processors. The <span class=SpellE>Gromacs</span> installed on these clusters
is compiled with MPI.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face="Comic Sans MS"><span
style='font-size:10.0pt;font-family:"Comic Sans MS";mso-bidi-font-family:Arial;
color:navy'>But when I ran <span class=SpellE>gromacs</span> MD run, we found
that it was running only on a single node and all the other nodes were idle.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face="Comic Sans MS"><span
style='font-size:10.0pt;font-family:"Comic Sans MS";mso-bidi-font-family:Arial;
color:navy'>The command I ran was the usual<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face="Comic Sans MS"><span
style='font-size:10.0pt;font-family:"Comic Sans MS";mso-bidi-font-family:Arial;
color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal><span class=SpellE><span class=GramE><font size=2
color=navy face="Comic Sans MS"><span style='font-size:10.0pt;font-family:"Comic Sans MS";
mso-bidi-font-family:Arial;color:navy'>mdrun</span></font></span></span><font
size=2 color=navy face="Comic Sans MS"><span style='font-size:10.0pt;
font-family:"Comic Sans MS";mso-bidi-font-family:Arial;color:navy'> -s 2.tpr -o
1.trr -o 4.gro -e md01.edr<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face="Comic Sans MS"><span
style='font-size:10.0pt;font-family:"Comic Sans MS";mso-bidi-font-family:Arial;
color:navy'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face="Comic Sans MS"><span
style='font-size:10.0pt;font-family:"Comic Sans MS";mso-bidi-font-family:Arial;
color:navy'>What modifications does the command need to enable it to run on all
available nodes??<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face="Comic Sans MS"><span
style='font-size:10.0pt;font-family:"Comic Sans MS";mso-bidi-font-family:Arial;
color:navy'>Thanks,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=navy face="Comic Sans MS"><span
style='font-size:10.0pt;font-family:"Comic Sans MS";mso-bidi-font-family:Arial;
color:navy'>Madhuri<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'><o:p> </o:p></span></font></p>
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