[Pw_forum] Error in routine read_namelists (5010):

[stefano de gironcoli]

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 
> <mailto:kooorichi at gmail.com>>:
>
>     hello
>
>     I am new to Quantum Espresso andwhen 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. ?
>
>
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>
>
>
> -- 
> ------------------------------------------------------------------------------------------------------------ 
>
> Yue-Wen FANG, PhD student
> East China Normal University <http://english.ecnu.edu.cn/>, China
> Japan Fine Ceramics Center, Japan
>
>
>
>
>
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