[CP2K-user] Question about running Si7Ge.inp under "How to run calculations like Quantum ESPRESSO"

Jae Eun Lee leejae... at gmail.com
Wed Oct 21 13:35:39 UTC 2020

Dear users

I have encountered a problem while running Si7Ge.inp with cp2k. It shows
this error :

PI_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.

And I am not sure how I can fix it. I have run cp2k by using the code :
mpirun -np 6 cp2k.popt -i Si7Ge.inp > Si7Ge.out

I have tried to search google but I could not get a satisfactory answer for
it. I am totally new to cp2k and Linux and I would really appreciate if you
could help me.

Many thanks in advance

best wishes

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