error of MPI run

[yafei li]

Dear everyone 

I am a new rookie at cp2k. Recently, I use my computer to do some cases from the official website. My computer system is Ubuntu with 6 cores. 

Sometimes, I can run the calculation smoothly, but sometimes, the following error message will appear.

application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
  Process name: [[30823,1],1]
  Exit code:    1

How should I solve this problem? Is it because I don't have enough CPU cores?

Thank you very much.

Yours

LI

[Tieyuan Bian]

Hi ,

Try to use other MPI (intel MPI if you are using openmpi now). Alternatively, you can try this command before running cp2k: ulimit -s unlimited.

Tieyuan BIAN