<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Dear gromacs users</DIV>
<DIV>I have Dppc monolayer on Tip4p2005 water layer.</DIV>
<DIV>I use gromacs 4.0.7, tcoupl=v-rescale</DIV>
<DIV>command line in .ll file:</DIV>
<DIV>mpiexec mdrun -v -s topol.tpr</DIV>
<DIV>(I have made topol.tpr with the following command:</DIV>
<DIV><STRONG>grompp -c .gro -f .mdp -n .ndx -p .top -o .tpr</STRONG></DIV>
<DIV><STRONG></STRONG> </DIV>
<DIV><STRONG>now submitting the .ll file with qsub, the run has finished but I see this mesaage in the .e.ll file;</STRONG></DIV>
<DIV><STRONG></STRONG> </DIV>
<DIV><FONT color=#00007f>NOTE: Turning on dynamic load balancing</FONT></DIV>
<DIV><FONT color=#00007f>vol 0.69! imb F 149%<BR>Writing final coordinates.<BR>step 100, remaining runtime: 0 s</FONT></DIV>
<DIV><FONT color=#00007f> Average load imbalance: 184.7 %<BR> Part of the total run time spent waiting due to load imbalance: 45.5 %<BR> Steps where the load balancing was limited by -rdd, -rcon and/or -dds: Z 5 %</FONT></DIV>
<DIV><FONT color=#00007f>NOTE: <FONT color=#6000bf>45.5 % performance was lost due to load imbalance<BR> in the domain decomposition</FONT>.</FONT></DIV>
<DIV><FONT color=#00007f></FONT> </DIV>
<DIV><FONT color=#00007f>Is there a way to fix this load imbalance to get the better performance?</FONT></DIV>
<DIV>Does it mean that because of load imbalance, I have lost almost 45 percentage of performance?</DIV>
<DIV> </DIV>
<DIV>Thanks in advance</DIV>
<DIV>Best regards</DIV>
<DIV>D.Aghaie</DIV></td></tr></table>