[Pw_forum] Error in routine read_namelists (5010):

[Paolo Giannozzi]

Anybody with system privileges can create a user-writable "/scratch"
directory if so desired. The code will anyway complain that "/scratch" if
not writable if it is not.


Paolo

On Mon, May 23, 2016 at 3:54 PM, Yue-Wen Fang <yuewen.fang at gmail.com> wrote:

> Dr. Stefano, yes, I agree with you on the point of tmp_dir. There is no
> tag for this.
>
> However, I don't think the outdir "must" be right, generally in the linux
> system, we don't have /scratch/ and most of the users cannot write data in
> root directory "/". I think what he really need is "./scratch" but not
> "/scratch/".
>
> Hence, Korichi, please check both of these in your case.
>
> 2016-05-23 10:59 GMT+09:00 stefano de gironcoli <degironc at sissa.it>:
>
>> outdir is fine
>> there isn't such a thing as tmp_dir tho.
>> stefano
>>
>>
>>
>> On 23/05/2016 03:12, Yue-Wen Fang wrote:
>>
>> Hi, Korichi
>>
>> I think outdir='/scratch/' could be wrong, are your sure it is not
>> "~/scratch" or some other directory?
>>
>> In addtion, please include your affiliation next time when you post new
>> thread.
>>
>> Bests
>> Fang
>>
>>
>> 2016-05-23 5:30 GMT+09:00 Korichi Khadija <kooorichi at gmail.com>:
>>
>>> hello
>>>
>>> I am new to Quantum Espresso and when I run pw.x  of the scrpit below ,
>>>
>>> &control
>>>     calculation='scf'
>>>     restart_mode='from_scratch',
>>>     pseudo_dir='/home/Julnar/software/espresso-4.3.2/pseudo',
>>>     outdir='/scratch/'
>>>     prefix='lead'
>>>     tmp_dir='/home/Julnar/software/espresso-4.3.2/S3DE/iotk/tmp'
>>>
>>>  /
>>>  &system
>>>     ibrav = 6,
>>>     celldm(1) = 7.5416,
>>>     celldm(3) = 0.98655,
>>>     nat= 5,
>>>     ntyp= 3,
>>>     nspin = 2,
>>>     starting_magnetization(2)=1.0,
>>>     ecutwfc = 37.0,
>>>     ecutrho = 370.0
>>>     occupations='smearing',
>>>     smearing='methfessel-paxton',
>>>     degauss=0.01
>>>  /
>>>  &electrons
>>>     conv_thr = 1.0e-8
>>>     mixing_beta = 0.1
>>>  /
>>> ATOMIC_SPECIES
>>>  Sr  87.62 Sr.pw91-nsp-van.UPF
>>>  Ru 101.10 Ru.pw91-n-van.UPF
>>>   O  16.00 O.pw91-van_ak.UPF
>>> ATOMIC_POSITIONS
>>> Sr	0	0	0
>>> O	0.5	0.5	0
>>> Ru	0.5	0.5	0.494
>>> O	0.5	0	0.494
>>> O	0	0.5	0.494
>>> K_POINTS (automatic)
>>>  10 10 10 1 1 1
>>>
>>>
>>>
>>> ***************************************************************************************
>>>
>>>  I am getting the following error:
>>>
>>>
>>>      This program is part of the open-source Quantum ESPRESSO suite
>>>      for quantum simulation of materials; please cite
>>>          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
>>>           URL http://www.quantum-espresso.org",
>>>      in publications or presentations arising from this work. More
>>> details at
>>>      http://www.quantum-espresso.org/quote
>>>
>>>      Parallel version (MPI), running on     1 processors
>>>      Waiting for input...
>>>      Reading input from standard input
>>>
>>>
>>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>      Error in routine  read_namelists (5010):
>>>       reading namelist control
>>>
>>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>
>>> Please may someone shed some light on to why this is the case, and if there is anything wrong with my input. ?
>>>
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
>>
>> --
>> ------------------------------------------------------------------------------------------------------------
>>
>> Yue-Wen FANG, PhD student
>> East China Normal University <http://english.ecnu.edu.cn/>, China
>> Japan Fine Ceramics Center, Japan
>>
>>
>>
>>
>>
>> _______________________________________________
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>>
>>
>>
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>
>
>
> --
>
> ------------------------------------------------------------------------------------------------------------
> Yue-Wen FANG, PhD student
> East China Normal University <http://english.ecnu.edu.cn/>, China
> Japan Fine Ceramics Center, Japan
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
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> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
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
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