Subsection FORCES of section PRINT

[Victoria Morad]

Thank you! The input file that I have attached was generated by phonopy.

Best,
Viktoria

середа, 6 червня 2018 р. 17:43:27 UTC+2 користувач Vladimir Rybkin написав:
>
> Dear Victoria, 
>
> there is no &FORCES section in &DFT&PRINT
>
> If you want to print forces use &FORCE_EVAL&PRINT&FORCES 
>
> Yours,
>
> Vladimir
>
> среда, 6 июня 2018 г., 12:24:08 UTC+2 пользователь Victoria Morad написал:
>>
>> Dear Vladimir,
>>
>> section &PRTIN is in &DFT section. Input and output attached. Output:
>>
>> Possible matches for unknown subsection 
>>
>>
>>  FORCES
>>
>>
>>    subsection FORCES in section %__ROOT__%MOTION%PINT%HELIUM%PRINT score:  
>> 54
>>
>>    subsection FORCES in section %__ROOT__%MOTION%PRINT score:  54
>>
>>    subsection FORCES in section %__ROOT__%FORCE_EVAL%EIP%PRINT score:  54
>>
>>    subsection FORCES in section %__ROOT__%FORCE_EVAL%PRINT score:  54
>>
>>    subsection FORCE_MIXING_LABELS in section %__ROOT__%MOTION%PRINT 
>> score:  21
>>
>>
>>  
>> *******************************************************************************
>>
>>  *   ___                                                                 
>>       *
>>
>>  *  /   \                                                                
>>       *
>>
>>  * [ABORT]                                                               
>>       *
>>
>>  *  \___/               unknown subsection FORCES of section PRINT       
>>       *
>>
>>  *    |                                                                  
>>       *
>>
>>  *  O/|                                                                  
>>       *
>>
>>  * /| |                                                                  
>>       *
>>
>>  * / \                                               input/input_parsing.F:185 
>> *
>>
>>  
>> *******************************************************************************
>>
>>
>>
>>  ===== Routine Calling Stack ===== 
>>
>>
>>             5 section_vals_parse
>>
>>             4 section_vals_parse
>>
>>             3 section_vals_parse
>>
>>             2 section_vals_parse
>>
>>             1 read_input
>>
>> --------------------------------------------------------------------------
>>
>> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
>>
>> with errorcode 1.
>>
>>
>> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
>>
>> You may or may not see output from other processes, depending on
>>
>> exactly when Open MPI kills them.
>>
>> --------------------------------------------------------------------------
>>
>>
>> Best,
>> Viktoria
>>
>>
>> середа, 6 червня 2018 р. 10:39:41 UTC+2 користувач Vladimir Rybkin 
>> написав:
>>>
>>> Dear Victoria,
>>>
>>> the &PRINT section can appear in various parts of the input (essentially 
>>> every module has its own &PRINT as one can print numerous properties). 
>>> Thus, you could be more specific with your error. Attaching an input and an 
>>> output files greatly simplifies the affair. Most likely, it has nothing to 
>>> do with Phonopy but rather a section in the wrong place or a lacking &END.
>>>
>>> Yours,
>>>
>>> Vladimir  
>>>
>>> среда, 6 июня 2018 г., 10:15:37 UTC+2 пользователь Victoria Morad 
>>> написал:
>>>>
>>>> Hello everyone,
>>>>
>>>> I am using cp2k 5.2.1 installed and compiled through homebrew. I am 
>>>> trying to use it with phonopy to get phonon spectra according to this 
>>>> tutorial (
>>>> https://www.cp2k.org/exercises:2017_uzh_cmest:phonon_calculation), but 
>>>> get an error message about unknown subsection. I get that the feature was 
>>>> implemented in cp2k 6.0? Is cp2k 6.0 available?
>>>>
>>>> Best,
>>>> Viktoria
>>>>
>>>>
>>>>
>>>>
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