<span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 12.5px; border-collapse: collapse; ">Chris,<div><br></div><div>do you mind to send Berk and me the tpr file (off-list)? There seems to be a problem with the new 2D PME. I probably won't have time to fix it till Thursday though.</div>
<div><br></div><div><font color="#888888">Roland</font></div></span><br><div class="gmail_quote">On Mon, Aug 2, 2010 at 6:12 PM, <span dir="ltr"><<a href="mailto:chris.neale@utoronto.ca">chris.neale@utoronto.ca</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Dear all:<br>
<br>
I have an explicit solvent peptide-in-bilayer system taht also used the pull-code.<br>
<br>
This system runs fine on 8 cores in a single box with v4.0.7 and 4.5b2. It also runs fine on 16 cores IB for v4.0.7 but not 4.5b2. In the later case, I get an exit from mdrun (see below). I have also attached also the .mdp options. The strange thing is that I can the system run fine on 56 cores IB.<br>
<br>
In table form:<br>
8 cores v4.0.7 ok<br>
8 cores v4.5b2 ok<br>
16 cores v4.0.7 ok<br>
16 cores v4.5b2 <--- failure<br>
56 cores v4.0.7 ok<br>
56 cores v4.5b2 ok<br></blockquote></div>