[Pw_forum] QE in Parallel error

[Mohammad Raihan Miah]

Hi Paolo,

Thank you very much for your reply.

I suspected this also, but couldn't find the way to run the computation in
parallel.

I use the following command for parallel run for 20 k points.

mpirun -machinefile $PBS_NODEFILE -np 4 pw.x -nk 2 -inp test.in> test.out

Do you think that I need to change the configure file of Quantum Espresso?
But in my case it is installed by the system administrator and they said
that they installed Quantum Espresso with mpirun and I couldn't find the
configure file to change the Flags. So do you think that changing the
environment variable will do the trick for me?

Thanks in advance.

On Mon, Jun 20, 2016 at 3:19 PM, Mohammad Raihan Miah <mraihanm at eng.ucsd.edu
> wrote:

> Hi all,
>
> I am doing simulation on Quantum Espresso 5.3.0. During parallel
> computation I got the following error in my output file.
>
> -------------------------------------------------------
> 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: [[13624,1],2]
>   Exit code:    28
>
> I am using mpirun to do the parallel simulation. But I got np number of
> simulation (np is the number of processor I am using) though I use nk and
> other parameters.
>
> I got the following line in my output too for np times.
>
> Serial multi-threaded version, running on    1 processor cores
>
> Also in the error file I got the following errors:
>
> forrtl; no such file or directory
> forrtl severe (28) close error
> forrtl severe (78) Sigterm kill error
>
> Could anyone help me in this regard?
>
> Thanks in advance.
>
> --
> Mohammad Abu Raihan Miah
> PhD Student
> Department of Electrical and Computer Engineering (ECE)
> <http://www.ece.ucsd.edu/>
> University of California, San Diego <http://www.ucsd.edu/>
>



-- 
Mohammad Abu Raihan Miah
PhD Student
Department of Electrical and Computer Engineering (ECE)
<http://www.ece.ucsd.edu/>
University of California, San Diego <http://www.ucsd.edu/>
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