[CP2K-user] MPI Error in Ubuntu 18.4

mejdeddine mokhtar mejdit... at gmail.com
Sat Jul 4 10:17:10 UTC 2020

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 

Please note, that I installed cp2k 5.1 version in my local machine Ubuntu 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200704/7f66f669/attachment.htm>

More information about the CP2K-user mailing list