[CP2K-user] MPI Error in Ubuntu 18.4

[mejdeddine mokhtar]

Le samedi 4 juillet 2020 12:17:11 UTC+2, mejdeddine mokhtar a écrit :
>
> Dear CP2K users and developers,
>
> I encountered an issue when running the script below.  I got the following 
> message:   MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
>                                                                           
>                                                                with error 
> code 1.NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
>                                                                           
>                                                                You may or 
> may not see the output from other processes, depending on exactly when 
> Open MPI kills them.
>
>
>
> Can anybody tell me how do I set the MPI. I have attached here all the 
> input files needed to get the calculation running. If possible, can anyone 
> execute the file "energy.bash" and tell me what comes out.  It would be 
> appreciated.
>
> Please note, that I installed cp2k 5.1 version in my local machine Ubuntu 
> 18.04.  
>
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