[Pw_forum] question about small benchmark and pwgui
Paolo Giannozzi
p.giannozzi at gmail.com
Thu Nov 12 09:53:30 CET 2015
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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