[Pw_forum] Error in parallel running

Yangchuan Li liyangchuan at utexas.edu
Tue Apr 5 22:37:34 CEST 2016


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
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     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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