[Pw_forum] Getting_an_Error

[Axel Kohlmeyer]

On Fri, Nov 20, 2015 at 3:05 PM, Mofrad, Amir Mehdi (MU-Student)
<amzf5 at mail.missouri.edu> wrote:
> I didn't quite understand what you said. I cut the content of my file and
> pasted it to another file. However, when I run it, it gives me the same
> error.

that can happen for example, if you create a file that is missing the
end-of-line character (if you are using a decent editor, this should
not happen, but ...). just try adding add a couple of empty lines at
the end.

other than that, if you are using a non-ASCII character set (e.g. when
using UTF-8 encoding or and/or native language support), sometimes
"funky" characters are inserted (e.g. different width spaces) to make
the text look "nicer". however, since those are not ASCII characters,
they are not recognized by text mode programs, despite looking
(mostly) the same as their ASCII counter part.

if that still doesn't make sense to you, i suggest you google around
and find out more about these issues.

axel.

>
>
> Amir M. Mofrad
>
> University of Missouri
>
>
>
> ________________________________
> From: pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on behalf of
> Paolo Giannozzi <p.giannozzi at gmail.com>
> Sent: Friday, November 20, 2015 1:42 PM
> To: PWSCF Forum
> Subject: Re: [Pw_forum] Getting_an_Error
>
> Unexplained input errors are often a consequence of strange characters or of
> the presence of ^M characters in the file. Your input (taken with a cut and
> paste) works for me
>
> Paolo
>
> On Fri, Nov 20, 2015 at 7:50 PM, Mofrad, Amir Mehdi (MU-Student)
> <amzf5 at mail.missouri.edu> wrote:
>>
>> Dear all quantum users and experts,
>>
>>
>> I'm trying to run an scf calculation on a zeolite but I'm not successful
>> because I keep getting the following error on my terminal which I don't know
>> what it is:
>>
>> At line 136 of file read_cards.f90
>>
>> Fortran runtime error: End of file
>>
>>
>> Here is my input file just in case you might need to take a look at:
>>
>>
>> &control
>>         calculation='scf'
>>         restart_mode='from_scratch'
>>         prefix='SOD'
>>         tstress=.true.
>>         tprnfor=.true.
>>         pseudo_dir='/global/espresso/pseudo/'
>>         outdir='./scratch/'
>>         verbosity='high'
>>         etot_conv_thr=1e-8
>>         forc_conv_thr=1e-7
>>         wf_collect=.true.
>> /
>> &system
>>         ibrav=0
>>         nat=36
>>         ntyp=2
>>         ecutwfc=30
>>         ecutrho=300
>>         nbnd=100
>> /
>> &electrons
>>         diagonalization='cg'
>>         mixing_mode='plain'
>>         mixing_beta=0.7
>>         conv_thr=1e-10
>> /
>>
>> ATOMIC_SPECIES
>>         Si 28.086 Si.pbe-n-rrkjus_psl.0.1.UPF
>>         O 15.9994 O.pbe-n-rrkjus_psl.0.1.UPF
>>
>>
>> ATOMIC_POSITIONS bohr
>>  O 4.223852 10.209245 16.553687
>>  O 12.694549 1.738548 8.082990
>>  O 16.194639 10.209245 16.553687
>>  O 7.723942 1.738548 8.082990
>>  O 16.194639 10.209245 4.582900
>>  O 7.723942 1.738548 13.053597
>>  O 4.223852 10.209245 4.582900
>>  O 12.694549 1.738548 13.053597
>>  O 16.194639 4.223852 10.568293
>>  O 7.723942 12.694549 19.038991
>>  O 16.194639 16.194639 10.568293
>>  O 7.723942 7.723942 2.097596
>>  O 4.223852 16.194639 10.568293
>>  O 12.694549 7.723942 2.097596
>>  O 4.223852 4.223852 10.568293
>>  O 12.694549 12.694549 2.097596
>>  O 10.209245 16.194639 4.582900
>>  O 1.738548 7.723942 13.053597
>>  O 10.209245 16.194639 16.553687
>>  O 1.738548 7.723942 8.082990
>>  O 10.209245 4.223852 16.553687
>>  O 1.738548 12.694549 8.082990
>>  O 10.209245 4.223852 4.582900
>>  O 1.738548 12.694549 13.053597
>>  Si 5.973897 10.209245 19.038991
>>  Si 14.444594 1.738548 10.568293
>>  Si 14.444594 10.209245 2.097596
>>  Si 5.973897 1.738548 10.568293
>>  Si 1.738548 5.973897 10.568293
>>  Si 10.209245 14.444594 19.038991
>>  Si 1.738548 14.444594 10.568293
>>  Si 10.209245 5.973897 2.097596
>>  Si 10.209245 1.738548 6.332945
>>  Si 1.738548 10.209245 14.803642
>>  Si 10.209245 1.738548 14.803642
>>  Si 1.738548 10.209245 6.332945
>>
>> K_POINTS {automatic}
>> 9 9 9 0 0 0
>>
>> CELL_PARAMETERS angstrom
>> 8.848 0.000 0.000
>> 0.000 8.848 0.000
>> 0.000 0.000 8.848
>>
>>
>> Best,
>>
>>
>>
>> Amir M. Mofrad
>>
>> University of Missouri
>>
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
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-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.