Respected Sir, <br><br> So that number doesnt mean what it says! <br><br>Thanking you<br>With regards<br>kavya<br><br><div class="gmail_quote">On Wed, May 11, 2011 at 4:27 PM, Mark Abraham <span dir="ltr"><<a href="mailto:mark.abraham@anu.edu.au">mark.abraham@anu.edu.au</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><span>On 11/05/11, <b>Kavyashree M </b> <<a href="mailto:hmkvsri@gmail.com" target="_blank">hmkvsri@gmail.com</a>> wrote:</span><blockquote style="border-left:1px solid rgb(0, 0, 255);padding-left:13px;margin-left:0pt" type="cite">
<div>Dear users, <br> <br> I was running an MD in a machine with 2 quad core processors<br>using all 8 cores system cores, for some reasons I had to shift the<br> job to another machine with 2 quad cores processors, identical OS <br>
and gromacs version using 8 cores. After I started runnning using check point<br>file it said -<br><br>" Build time mismatch,<br> current program: Thu Jan 20 12:00:01 IST 2011<br> checkpoint file: Thu Jan 20 11:57:38 IST 2011<br>
<br> Build user mismatch,<br> current program: kavya@alder<br> checkpoint file: kavya@yamuna<br><br>Gromacs binary or parallel settings not identical to previous run.<br>
Continuation is exact, but is not guaranteed to be binary identical."<br><br>How does this effect the run and also it gave a warning saying </div></blockquote><br></div>See <a href="http://www.gromacs.org/Documentation/Terminology/Reproducibility" target="_blank">http://www.gromacs.org/Documentation/Terminology/Reproducibility</a>. Under normal circumstances there is nothing of concern.<div class="im">
<br><br><blockquote style="border-left:1px solid rgb(0, 0, 255);padding-left:13px;margin-left:0pt" type="cite"><div>"WARNING: This run will generate roughly 2054591408127343104 Mb of data" !!<br>
<br>which generally used to be around 5GB!<br><br>What is wrong here? Kindly reply.</div></blockquote><br></div>Some kind of integer datatype is different on the two machines, and some kind of overflow is happening in the estimation. Don't worry about it.<br>
<font color="#888888"><br>Mark
</font><br>--<br>
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