Help Needed

ABU YAYA raka... at gmail.com
Fri Oct 7 13:37:57 UTC 2016


 Dear Matt,
Please fint attached my input file. I am trying to do structural 
optimization.
Thank you.

On Friday, October 7, 2016 at 11:27:24 AM UTC, Matt W wrote:
>
> Without seeing your input we have to guess, but probably this means that 
> you haven't closed a section.
>
> Each section must have a start
>
> &EXT_RESTART
>
> and a matching finish
>
> &END
>
> I suspect you are missing the end of a section, then all the sections in 
> your input are getting scrambled.
>
> Matt
>
> On Friday, October 7, 2016 at 11:45:53 AM UTC+1, ABU YAYA wrote:
>>
>>
>>   Dear All,
>> I am running a serial calculation on my desktop and anytime I type the 
>> command "cp2k.sopt -i <energy.in> -o energy.out I always get this error 
>>     09:55:19 ERRORL2 in input_parsing:section_vals_parse :: unknown ***
>>  *** subsection MOTION of section EXT_RESTART 
>>
>> Any help. I am a new user so help me, if you have any text on cp2k you 
>> can recommend it also to me.
>> Thank you. 
>>
>
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