[Pw_forum] problem with the inputs of the 'bands.x'

潘登 panda.deng.pan at gmail.com
Wed Feb 18 12:02:25 CET 2009


Dear All,

It has the error massage while running the bands.x for plotting a band
structure.Please someone tell me where I was wrong.

The error message are

   from bands : error #         4
     pools not implemented

and I used this file to prosess the bands.x:

PARA_PREFIX="mpirun -np 4"
PARA_POSTFIX="-npool 4"
export OMP_NUM_THREADS=1

# how to run executables
BANDS_COMMAND="$PARA_PREFIX $BIN_DIR/bands.x $PARA_POSTFIX"

$BANDS_COMMAND <bands.in>bands.out
$ECHO  bands done


I had tried to set the '-npool 1', but it did not work.
At last I give my inputs for bands.x

 &inputpp
    prefix  = 'BaNiAs'
    outdir = '/disk2/xgwan/tmp/'
    filband = 'bands.dat'
 /

Thanks for helping me.

Have a nice day!

Pan Deng
Najing University



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