[Pw_forum] question about small benchmark and pwgui
p.giannozzi at gmail.com
Thu Nov 12 20:17:09 CET 2015
Which file exactly are you refering to?
On Thu, Nov 12, 2015 at 6:52 PM, mohammed shambakey <shambakey1 at gmail.com>
> Thank you Paolo, but the file still contains "nelec" variable.
> Is it safe to remove it? or something else needs to be changed?
> On Thu, Nov 12, 2015 at 10:53 AM, Paolo Giannozzi <p.giannozzi at gmail.com>
>> 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:
>> it runs with recent versions of QE, does not contain obsolete variable
>> 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
> Pw_forum mailing list
> Pw_forum at pwscf.org
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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