[Pw_forum] Re: phonon, gk_sort error

[Eduardo Ariel Menendez P]

Hi,
I have the same runtime error that Kevin reported on August 21 with
Version 3.1.1. This
happens with example02. -npool 1 works ok, but -npool >1 produces errors.
For example
mpirun -np 2 ~/ChemUtils/Espresso/espresso-3.1.1/bin/pw.x -npool 2 < c.scf.in
mpirun -np 2 ~/ChemUtils/Espresso/espresso-3.1.1/bin/ph.x -npool 2 < c.phG.in
ends  with
     nbndx  =     4  nbnd   =     4  natomwfc =     8  npwx   =     184
     nelec  =   8.00  nkb   =    16  ngl    =     118

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

     from gk_sort : error #         1
     array gk out-of-bounds

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

The error depends on the number of CPUs, e.g.

mpirun -np 4 ~/ChemUtils/Espresso/espresso-3.1.1/bin/pw.x -npool 2 < c.scf.in
mpirun -np 4 ~/ChemUtils/Espresso/espresso-3.1.1/bin/ph.x -npool 2 < c.phG.in
ends without an explicit message, such as,
     nbndx  =     4  nbnd   =     4  natomwfc =     8  npwx   =      97
     nelec  =   8.00  nkb   =    16  ngl    =     118
-----------------------------------------------------------------------------
One of the processes started by mpirun has exited with a nonzero exit
code.  This typically indicates that the process finished in error.
If your process did not finish in error, be sure to include a "return
0" or "exit(0)" in your C code before exiting the application.

In everycase, npool 1 works OK .

Moreover
dos.x give the same error message "array gk out-of-bounds" when -npool >1

regards

Eduardo A. Menendez Proupin
Department of Physics
Faculty of Science
University of Chile
Las Palmeras 3425
Ñuñoa, Santiago
Chile
Phone: 56+2+978 74 11
http://fisica.ciencias.uchile.cl/~emenendez/

Hello,

I am doing a simple test to calculate Si gamma phonons.

I run
pw.x -npool 4 < si3.scf.in > si3.scf.out

then
ph.x -npool 4 < si3.phG.in > si3.phG.out

which produces the following error:
      from gk_sort : error #         1
      array gk out-of-bounds

The error does not occur when I set -npool 1.

The error occurs for espresso-3.1 and 3.1.1, but not 2.1.5.

My input files are below.  Please let me know if I should provide other
information.  Thanks.

Regards,
Kevin Chan