[CP2K-user] [CP2K:18739] Re: error of MPI run

[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
在2023年4月12日星期三 UTC+8 15:11:04<yafei li> 写道：

> 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
>

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