[CP2K-user] [CP2K:20142] error when running RESP from CP2K Tutorials?

[Michela Benazzi]

Hello everyone!

I attached my resp.in file from this tutorial 
https://www.cp2k.org/exercises:2014_uzh_molsim:h2o_ff

I am running CP2K on a remote supercomputer via shell (Discovery OOD with 
Northeastern University). I submit my jobs with this command: *sbatch 
[bash_file_name]*. I also attached my bash file.

I get the following error when running resp.in:

[c0167:19104] [[60785,0],0] ORTE_ERROR_LOG: Data unpack would read past end 
of buffer in file ../../openmpi-3.1.1/orte/util/show_help.c at line 501 
-------------------------------------------------------------------------- 
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. 
-------------------------------------------------------------------------- 

Does anyone know why this might be coming up in my output file?

Thank you very much!

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