[Pw_forum] Error in routine read_namelists (5010):

[Yue-Wen Fang]

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
>
>
>
>
>
> _______________________________________________
> Pw_forum mailing listPw_forum at pwscf.orghttp://pwscf.org/mailman/listinfo/pw_forum
>
>
>
> _______________________________________________
> 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160523/5ccb21e8/attachment.html>