[Pw_forum] Pw_forum Digest, Vol 81, Issue 13

[Rajdeep Banerjee]

Dear Dr. Lorenzo Paulatto,
                                      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.
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:


==============================
=======================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   EXIT CODE: 9
=   CLEANING UP REMAINING PROCESSES
=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
=====================================================================================
APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)


       This is where I'm stuck right now. Any kind of help from anyone is
highly appreciated.


Thanks,
Rajdeep Banerjee
Ph. D. student
Theoretical Sciences Unit
Jawaharlal Nehru Centre for Advanced Scientific Research
 Bangalore, India


On Sun, Apr 13, 2014 at 3:30 PM, <pw_forum-request at pwscf.org> wrote:

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> Today's Topics:
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>    1. Re: Hybrid functional q-point convergence error (Lorenzo Paulatto)
>    2. Problem with installation (jv sharma)
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> ----------------------------------------------------------------------
>
> Message: 1
> Date: Sat, 12 Apr 2014 12:48:10 +0200
> From: Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr>
> Subject: Re: [Pw_forum] Hybrid functional q-point convergence error
> To: PWSCF Forum <pw_forum at pwscf.org>
> Message-ID: <534919EA.10508 at impmc.upmc.fr>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
>
> On 04/12/2014 10:48 AM, Rajdeep Banerjee wrote:
>
> > from exx_grid_init : error #         2
> >       k + q is not an S*k
> >      (ii) so I tried changing nqx1 = 2, nqx2 =2, nqx3 = 1 or nqx1 = 4,
> > nqx2 =4, nqx3 = 1 in which case the error went away but the program
> > stopped after the completion of self consistent calculation saying:
>
>
> nq must be a divisor of nk in the same direction, in particular nq3 must
> always be one in your case
>
>
> lp
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Universit? Paris 6
> +33 (0)1 44 275 084 / skype: paulatz
> http://www-int.impmc.upmc.fr/~paulatto/
> 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
>
>
>
> ------------------------------
>
> Message: 2
> Date: Sun, 13 Apr 2014 11:17:15 +0530
> From: jv sharma <jvnanoman at gmail.com>
> Subject: [Pw_forum] Problem with installation
> To: pw_forum at pwscf.org
> Message-ID:
>         <
> CABOz96CHtXHUW_tw5j+PSnNfKB89B2jmS7+HQ9rRyQoiJckFeg at mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Dear QE experts/ users,
>
> I am very new to QE. I am trying to compile QE on Ubuntu 12.04 lts.
> After completing the compiling and while running the test, I am getting
> error as in the attached. Please help me. I am eagerly looking to install
> QE as I have some good and interesting problems in hand.
> Many thanks.
>
> With best regards,
> JVN Sarma, India.
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