<div dir="ltr"><div><div><div><div>Dear Dr. Lorenzo Paulatto,<br></div> thank you very much for your clarification. I understand now that nqx1 = 2, nqx2 =2, nqx3 = 1 or nqx1 = 4, nqx2 =4, nqx3 = 1 (or 6x6x1 or 12x12x1) should not cause any problem as my nk is 12x12x1.<br>
But the program stopped after the completion of
self consistent calculation (before startinf exchange-correlation calculation) even with the above set of q-points saying:<br>
<br><br>==============================<div dir="ltr">=======================================================<br>= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES<br>= EXIT CODE: 9<br>= CLEANING UP REMAINING PROCESSES<br>
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES<br>
=====================================================================================<br>APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)</div><br><br></div> This is where I'm stuck right now. Any kind of help from anyone is highly appreciated.<br>
<br></div><br><div>Thanks,<br></div><div>Rajdeep Banerjee<br></div><div>Ph. D. student<br></div><div>
Theoretical Sciences Unit<br></div><div>Jawaharlal Nehru Centre for Advanced Scientific Research<br></div> Bangalore, India </div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Sun, Apr 13, 2014 at 3:30 PM, <span dir="ltr"><<a href="mailto:pw_forum-request@pwscf.org" target="_blank">pw_forum-request@pwscf.org</a>></span> wrote:<br>
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Today's Topics:<br>
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1. Re: Hybrid functional q-point convergence error (Lorenzo Paulatto)<br>
2. Problem with installation (jv sharma)<br>
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----------------------------------------------------------------------<br>
<br>
Message: 1<br>
Date: Sat, 12 Apr 2014 12:48:10 +0200<br>
From: Lorenzo Paulatto <<a href="mailto:lorenzo.paulatto@impmc.upmc.fr">lorenzo.paulatto@impmc.upmc.fr</a>><br>
Subject: Re: [Pw_forum] Hybrid functional q-point convergence error<br>
To: PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
Message-ID: <<a href="mailto:534919EA.10508@impmc.upmc.fr">534919EA.10508@impmc.upmc.fr</a>><br>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed<br>
<br>
<br>
On 04/12/2014 10:48 AM, Rajdeep Banerjee wrote:<br>
<br>
> from exx_grid_init : error # 2<br>
> k + q is not an S*k<br>
> (ii) so I tried changing nqx1 = 2, nqx2 =2, nqx3 = 1 or nqx1 = 4,<br>
> nqx2 =4, nqx3 = 1 in which case the error went away but the program<br>
> stopped after the completion of self consistent calculation saying:<br>
<br>
<br>
nq must be a divisor of nk in the same direction, in particular nq3 must<br>
always be one in your case<br>
<br>
<br>
lp<br>
<br>
--<br>
Dr. Lorenzo Paulatto<br>
IdR @ IMPMC -- CNRS & Universit? Paris 6<br>
+33 (0)1 44 275 084 / skype: paulatz<br>
<a href="http://www-int.impmc.upmc.fr/~paulatto/" target="_blank">http://www-int.impmc.upmc.fr/~paulatto/</a><br>
23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05<br>
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------------------------------<br>
<br>
Message: 2<br>
Date: Sun, 13 Apr 2014 11:17:15 +0530<br>
From: jv sharma <<a href="mailto:jvnanoman@gmail.com">jvnanoman@gmail.com</a>><br>
Subject: [Pw_forum] Problem with installation<br>
To: <a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br>
Message-ID:<br>
<<a href="mailto:CABOz96CHtXHUW_tw5j%2BPSnNfKB89B2jmS7%2BHQ9rRyQoiJckFeg@mail.gmail.com">CABOz96CHtXHUW_tw5j+PSnNfKB89B2jmS7+HQ9rRyQoiJckFeg@mail.gmail.com</a>><br>
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<br>
Dear QE experts/ users,<br>
<br>
I am very new to QE. I am trying to compile QE on Ubuntu 12.04 lts.<br>
After completing the compiling and while running the test, I am getting<br>
error as in the attached. Please help me. I am eagerly looking to install<br>
QE as I have some good and interesting problems in hand.<br>
Many thanks.<br>
<br>
With best regards,<br>
JVN Sarma, India.<br>
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