[Pw_forum] question about small benchmark and pwgui

[mohammed shambakey]

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
>
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>



-- 
Mohammed
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