[Pw_forum] problem in parallel running
Duy Le
ttduyle at gmail.com
Mon Aug 24 11:32:05 CEST 2009
One more note: The error #29 should have appeared 4 times if the potential
file is not there. From your output, I can say 3 (out of 4) nodes could not
locate the absolute path.
On Mon, Aug 24, 2009 at 5:27 AM, Duy Le <ttduyle at gmail.com> wrote:
> 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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>>
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>
>
> --
> --------------------------------------------------
> Duy Le
> PhD Student
> Department of Physics
> University of Central Florida.
>
--
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.
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