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Hi,<br><br>Yes, please mail me the tpr.<br><br>Also, what is the error message exactly?<br><br>Berk<br><br><hr id="stopSpelling">From: roland@utk.edu<br>Date: Mon, 2 Aug 2010 19:24:11 -0400<br>Subject: Re: [gmx-users] v4.5b2 error specifically on 16 cores with npme 6<br>To: gmx-users@gromacs.org<br><br><span class="ecxApple-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="ecxgmail_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="ecxgmail_quote" style="border-left: 1px solid rgb(204, 204, 204); 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>
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