[QE-users] Error in routine average (1): nfile is wrong

[Paolo Giannozzi]

I see. One of these days I'll remove redundant stuff in average.x. The code
does something really simple and there is no need to have it as complex as
it is now.

Paolo


On Sun, Mar 24, 2019 at 10:21 AM Kaňka Jiří <kanka at ufe.cz> wrote:

> Dear Paolo,
>
> After removing “mpirun -n 32“ average.x >some-file works nicely  (pw.x and
> pp.x run parallely with mpirun on my computer with one 32-core processor
> despite some warning).
>
> Thank you very much.
>
> Jiri
>
>
>
> *From:* users [mailto:users-bounces at lists.quantum-espresso.org] *On
> Behalf Of *Kaňka Jiří
> *Sent:* Saturday, March 23, 2019 8:41 PM
> *To:* Quantum Espresso users Forum <users at lists.quantum-espresso.org>
> *Subject:* Re: [QE-users] Error in routine average (1): nfile is wrong
>
>
>
> Dear Paolo,
>
>
>
> I have read all answers with the exception  of the last week’s one which
> was not shown in my search. Thank you for your summary of the requirements
> for running average.x.
>
>
>
> The average program stopped with the “nfile error message“  for $ average.x -i some-file, but it is running for ever (such case was also reported by someone on this forum) for $ average.x < some-file. I use QE 6.3 on the Czech academic  METACENTRUM grid (paralelly on a single processor).
>
>
>
> I also use QE 6.3 within Quantum Mobile virtual maschine (with OMP) on my computer. Here average.x runs for ever for both cases (-i and <).
>
>  Likely I will have to work interactively on my computer with a direct
> input from a terminal  for the average‘s input varaiables . I have not
> tried it yet.
>
>
>
> Thank you.
>
>
>
> Best regards,
>
> Jiri
>
>
>
> *From:* users [mailto:users-bounces at lists.quantum-espresso.org
> <users-bounces at lists.quantum-espresso.org>] *On Behalf Of *Paolo Giannozzi
> *Sent:* Saturday, March 23, 2019 9:13 AM
> *To:* Quantum Espresso users Forum <users at lists.quantum-espresso.org>
> *Subject:* Re: [QE-users] Error in routine average (1): nfile is wrong
>
>
>
> On Sat, Mar 23, 2019 at 12:27 AM Kaňka Jiří <kanka at ufe.cz> wrote:
>
>
>
> I am facing an old (reported here already in 2017) problem: “Error in
> routine average (1): nfile is wrong”
>
>
>
> reported much earlier and many times, answered as many times:
>
> - average.x reads from standard input
>
> - it works in parallel only on a single processor
>
> This is last week's answer:
>
> https://www.mail-archive.com/users@lists.quantum-espresso.org/msg35542.html
>
>
>
> Paolo
>
>
>
> with a value of 1 at the 1st line of the input file for the nfile
> variable of average.x.
>
> It seems to me that in the run-examples, which work well, the input
> variables for average.x are read in a somewhat different way (actually
> from  a terminal, not from the file) .
>
> Does anybody know how to resolve the problem (besides extracting the 3D
> data grid from the file generated by pp.x and putting them into Matlab)  ?
>
>
>
> Thank you.
>
>
>
> Best regards,
>
>
>
> Jiri Kanka
>
> Optical Biosensors dpt.
>
> Institute of Photonics and Electronics
>
> Czech Academy of Sciences
>
> Prague
>
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
>
> --
>
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190324/bbff25fb/attachment.html>