[Pw_forum] question about small benchmark and pwgui

[mohammed shambakey]

para-speedup.sh

On Thu, Nov 12, 2015 at 9:17 PM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> Which file exactly are you refering to?
>
> Paolo
>
> On Thu, Nov 12, 2015 at 6:52 PM, mohammed shambakey <shambakey1 at gmail.com>
> wrote:
>
>> Thank you Paolo, but the file still contains "nelec" variable.
>>
>> Is it safe to remove it? or something else needs to be changed?
>>
>> Regards
>>
>> On Thu, Nov 12, 2015 at 10:53 AM, Paolo Giannozzi <p.giannozzi at gmail.com>
>> wrote:
>>
>>>
>>>
>>> On Tue, Nov 10, 2015 at 3:41 PM, mohammed shambakey <
>>> shambakey1 at gmail.com> wrote:
>>>
>>>>
>>>> 1- I'm trying to run the pwscf-small-benchmark, but it gives me an
>>>> error about namelist. So, I tried to open the generated "large-test.in"
>>>> file in PWgui, but it gives me the following syntax error:
>>>>
>>>> namelist's variable "nelec" not allowed. Skipping the rest of the file
>>>>
>>>
>>> The updated version of the "small" benchmarks is here:
>>>
>>> http://qe-forge.org/gf/download/frsrelease/43/76/pwscf-small-benchmark.tar.gz
>>> it runs with recent versions of QE, does not contain obsolete variable
>>> "nelec"
>>>
>>> Paolo
>>> --
>>> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>>> Phone +39-0432-558216, fax +39-0432-558222
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
>>
>> --
>> Mohammed
>>
>> _______________________________________________
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>>
>
>
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Mohammed
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