[DFTB-Plus-User] Error regarding

[Thomas Niehaus]

Dear M Raja,

you may compile DFTB+ without MPI, then you can run TD-DFTB calculations.

Best Thomas

On 10/20/23 10:03 AM, Bálint Aradi wrote:
> Dear Dr. K. Raja,
>
> I think the error is obvious: The feature had not been implemented 
> yet. Actually, we are actively working on it, but it might take some 
> time, until this enters the main branch...
>
> Best regards,
>
> Bálint
>
>
> On 18.10.23 13:15, karreddula RAJA wrote:
>>
>> good Afternoon sir
>> i got error when i am trying dftb plus
>>
>> ERROR!
>> -> Linear response calc. does not work with MPI yet
>> Abort(1) on node 0 (rank 0 in comm 0): application called 
>> MPI_Abort(MPI_COMM_WORLD, 1) - process 0
>> how can i overcome this problem?
>>
>> -- 
>> Thanks & Regards:
>> Dr. K. Raja
>>
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>>
>
>
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-- 
Prof. Dr. Thomas Niehaus
Institut Lumière Matière
UMR5306 CNRS
Université Claude Bernard Lyon 1
Domaine Scientifique de La Doua
10 rue Ada Byron
69622 Villeurbanne CEDEX, France
--
Office: Brillouin building, 4th floor, room 006
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Lab: http://ilm.univ-lyon1.fr
  

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