You have created the run input file (.tpr) using only one node, but you
are running MD with 5 nodes, I think you have to make sure to create
the run input file for 5 nodes.(grompp)<br>
<br><br><div><span class="gmail_quote">On 12/13/05, <b class="gmail_sendername">$B<g7n(B $B!'!K(B</b> <<a href="mailto:jiqing@iccas.ac.cn">jiqing@iccas.ac.cn</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div><font color="#008000" face="$BMD!)(B">Hi:</font></div>
<div><font color="#008000" face="$BMD!)(B">I've installed GROMACS for single and parrel in
my clusters. And these two version are stalled in /home/gromacs_s/ and
/home/gromacs_p/ respectively and both of them are not linked.</font></div>
<div><font color="#008000" face="$BMD!)(B"></font> </div>
<div><font color="#008000" face="$BMD!)(B">When i used the single version, every thing is
ok.But when i used parrel version trouble is coming.</font></div>
<div><font color="#008000" face="$BMD!)(B">If i qsub with more than 1 node ,the
outfile tell me the follows!(if i qsub with 1 node it is ok)</font></div>
<div><font color="#008000" face="$BMD!)(B"></font> </div>
<div><font color="#008000" face="$BMD!)(B"></font> </div>
<div><font color="#008000" face="$BMD!)(B"></font> </div>
<div><font color="#008000" face="$BMD!)(B"></font> </div>
<div><font color="#008000" face="$BMD!)(B">Reading file topol.tpr, VERSION 3.3 (single
precision)<br>-------------------------------------------------------<br>Program
mdrun, VERSION 3.3<br>Source code file: init.c, line: 69</font></div>
<div> </div>
<div><font color="#008000" face="$BMD!)(B">Fatal error:<br>run input file topol.tpr was
made for 1
nodes,<br>
while mdrun expected it to be for 5 nodes.</font></div>
<div><font color="#008000" face="$BMD!)(B"></font> </div>
<div><font color="#008000" face="$BMD!)(B"></font> </div>
<div><font color="#008000" face="$BMD!)(B"></font> </div>
<div> </div>
<div><font color="#008000" face="$BMD!)(B">I used the command is
"/home/gromacs_p/bin/grompp",and it finished successfully.</font></div>
<div><font color="#008000" face="$BMD!)(B"></font> </div>
<div><font color="#008000" face="$BMD!)(B">Can you help me to fix it !</font></div>
<div><font color="#008000" face="$BMD!)(B">3X!</font></div>
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