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
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
