<div dir="ltr">Thank you so much<div><br></div><div><br></div><div><br></div><div><br></div><div>Regards</div><div>K.Krishna<br></div><div>JRF, ACSIR-RE</div><div>CSIR-CECRI_Madras Unit Chennai</div><div>India</div><div>Phone No:9176713878</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Oct 2, 2015 at 2:37 PM, Ari P Seitsonen <span dir="ltr"><<a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<br><br>
Dear Krishnaiah Kallamadi,<br>
<br>
1) Please remember to sign with your affiliation,<br>
<br>
2) From your output:<br>
<br>
Parallel version (MPI), running on 1 processors<br>
<br>
I guess that your job runs out of memory, stack, or something similar. This is a _large_ job, please make sure the you have sufficient memory resources.<br>
<br>
Just a guess...<br>
<br>
Greetings from Sunny Montrouge,<br>
<br>
apsi<br>
<br>
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-<br>
Ari Paavo Seitsonen / <a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a> / <a href="http://www.iki.fi/~apsi/" rel="noreferrer" target="_blank">http://www.iki.fi/~apsi/</a><br>
Ecole Normale Supérieure (ENS), Département de Chimie, Paris<br>
Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935<br>
<br>
<br>
On Fri, 2 Oct 2015, Krishnaiah Kallamadi wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
last 4 lines of outputfile and input and output files attached please help<br>
(it is about n-doped graphene nano ribbons)<br>
<br>
<br>
<br>
<br>
<br>
<br>
<br>
Initial potential from superposition of free atoms<br>
Check: negative starting charge= -0.001422<br>
<br>
starting charge 404.45595, renormalised to 406.00000<br>
<br>
negative rho (up, down): 0.143E-02 0.000E+00<br>
<br>
<br>
<br>
</blockquote>
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