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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