[Pw_forum] Error in parallel running

[mkondrin]

On 06.04.2016 00:37, Yangchuan Li wrote:
> Dear QE users,
>
> I try to run the pw.x example01 in parallel, but it seems the program 
> can't run correctly. I installed mpich2 and the parallel environment 
> was detected also compiled it successfully. I run it by "mpirun -np 2 
> pw.x < in > out". The problem is shown below. How can I fix it? Also, 
> if this issue doesn't bother you, could you please tell me what mpi 
> package you used and how you configure the parallel run environment? 
> Frankly, I am not an expert in Linux.
> Any comment will be appreciated! Thank you.
>
> ****** below is the relevant output lines ***************
>
>      Program PWSCF v.5.2.0 starts on  5Apr2016 at 15:14: 4
>
>      Parallel version (MPI), running on     1 processors
>      Waiting for input...
>      Reading input from standard input
>      Message from routine read_cards :
>      DEPRECATED: no units specified in ATOMIC_POSITIONS card
>      Message from routine read_cards :
>      ATOMIC_POSITIONS: units set to alat
>
>      Current dimensions of program PWSCF are:
>      Max number of different atomic species (ntypx) = 10
>      Max number of k-points (npk) =  40000
>      Max angular momentum in pseudopotentials (lmaxx) =  3
>
>      Program PWSCF v.5.2.0 starts on  5Apr2016 at 15:14: 4
>
>      Parallel version (MPI), running on     1 processors
>      Waiting for input...
>      Reading input from standard input
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine  read_namelists (1):
>       reading namelist control
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
Hi!

This is not MPI related issue, in fact there are some errors in &control 
block of your input file.

It is easy to distinguish internal QE-errors from environment one. In 
former case QE create CRASH file in the working directory with error 
description.

Hope this helps,
M.V.Kondrin,
High Pressure Physics Institute RAS
>      stopping ...
>
>      Subspace diagonalization in iterative solution of the eigenvalue 
> problem:
>      a serial algorithm will be used
>
>
> Best,
> Yangchuan Li
> Graduate Research Assistant
> Mechanical Engineering
> University of Texas at Austin
>
>
>
>
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