[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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