[Pw_forum] Re: phonon, gk_sort error
Eduardo Ariel Menendez P
emenendez at macul.ciencias.uchile.cl
Wed Aug 23 17:14:50 CEST 2006
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
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