[Pw_forum] problem in parallel running

Duy Le ttduyle at gmail.com
Mon Aug 24 11:27:16 CEST 2009


Hi,Are you sure that your files are accessible by all the NODES? Please
login to the nodes other than head node to make sure all the paths are
correct.

One of the way you may try is to use relative path. For instant,
pseudo_dir = '../../pseudo'
outdir = './temp'

Good luck!


On Mon, Aug 24, 2009 at 5:13 AM, dev sharma <decboy9 at gmail.com> wrote:

> Sure Sir : )
> My Input file is listed below
>  &control
>     calculation='scf',
>     restart_mode='from_scratch',
>     prefix='yvo',
>     wf_collect=.true.,
>     pseudo_dir = '/home/devshama/pseudo/',
>     outdir='/home/devsharma/work/yvo/temp'
>  /
>  &system
>     ibrav =6, a=7.118300514, b= 7.118300514, c=6.289300454
> , nat =24, ntyp= 3,  ecutwfc = 40.0,
>  occupations='fixed',
>
>
>  /
>  &electrons
>     mixing_beta = 0.7
>     diagonalization = 'david'
>     conv_thr =  1.0e-6
> /
>  &ions
>  /
>
> ATOMIC_SPECIES
>   Y     88.90585     Y.pbe-nsp-van.UPF
>   V     50.9415      V.pbe-sp-van.UPF
>   O     15.9994      O.pbe-van_ak.UPF
> ATOMIC_POSITIONS {angstrom}
> /
> /
>
>   K_POINTS {automatic}
>   4  4 4 0 0 0
>
>
> 1,1           Top
>
>
>
> On Mon, Aug 24, 2009 at 2:22 PM, xirainbow <nkxirainbow at gmail.com> wrote:
>
>> Dear dev sharma:
>>
>> On 8/24/09, dev sharma <decboy9 at gmail.com> wrote:
>>>
>>> Dear Sir,
>>> Yes, *Y.pbe-nsp-van.UPF is present there in /home/devsharma/pseudo/. I
>>> had already checked it before pasting the problem.*
>>
>>
>> Can you give the input file?  :)
>>
>>
>>
>> ____________________________________
>> Hui Wang
>> School of physics, Nankai University, Tianjin, China
>>
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>> Pw_forum at pwscf.org
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>>
>>
>
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>


-- 
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.
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