<font color="#000099"><font face="verdana,sans-serif">Thanks. currently what I see is the program runs very slowly, but get .log file for all the 50 replicas, does this mean all of them are running?<br></font></font><br><div class="gmail_quote">
On Wed, Sep 28, 2011 at 3:41 PM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div class="im"><br>
<br>
Liu, Liang wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Well, although this makes sense, why all the 50 replicas are running when I run "mpirun<br>
-np 50 mdrun_mpi -s md.tpr -multi 50 -replex 50" on my own computer with only 2 cores?<br>
<br>
</blockquote>
<br></div>
I can offer no explanation for this behavior, but I expect that either not all of them are actually running, or at the very least you will get horribly slow performance.<div class="im"><br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
By the way, would you please show me where I can find the reasonable replex number information in the literature? I did not find it in the link you posted and the manual either.<br>
<br>
</blockquote>
<br></div>
A few minutes of real literature searching will be far more valuable than some random person on the Internet giving you a value that you blindly use ;)<br>
<br>
-Justin<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Thanks.<br>
<br>
<br>
-- <br>
Best,<br>
Liang Liu<br>
</blockquote><div><div></div><div class="h5">
<br>
-- <br>
==============================<u></u>==========<br>
<br>
Justin A. Lemkul<br>
Ph.D. Candidate<br>
ICTAS Doctoral Scholar<br>
MILES-IGERT Trainee<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | <a href="tel:%28540%29%20231-9080" value="+15402319080" target="_blank">(540) 231-9080</a><br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.<u></u>vt.edu/Pages/Personal/justin</a><br>
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</div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br>Best,<br>Liang Liu<br>