[Wien] Problem in run_phonon script

[Ghosh SUDDHASATTWA]

Dear Dr. Blaha, 

I am running k point parallel in Wien2k using the following job script 

 

#!/bin/bash

#

#$ -cwd

#$ -j y

#$ -S /bin/bash

#$ -V

 

# RJ: Script to run Wien2k-kpoint parallel job thru SGE

# Use kpoint PE

 

#hc=`cat $PE_HOSTFILE`

#echo "-------------------------"

#echo "Contents of $PE_HOSTFILE :"

#echo $hc

#echo "-------------------------"

#echo "Hostname: "

#hostname

#echo "No. of Slots"

#echo $NSLOTS

 

echo "Wien2k Machine file TMPDIR/machines"

mf=`cat $TMPDIR/machines.wien2k-kpoint`

echo $mf

 

cp $TMPDIR/machines.wien2k-kpoint .machines

 

# RJ: command for kpoint parallel run

run_phonon

 

 

The script works very well (some 50-80 jobs have been completed) when I use 

#!/bin/bash

#

#$ -cwd

#$ -j y

#$ -S /bin/bash

#$ -V

 

# RJ: Script to run Wien2k-kpoint parallel job thru SGE

# Use kpoint PE

 

#hc=`cat $PE_HOSTFILE`

#echo "-------------------------"

#echo "Contents of $PE_HOSTFILE :"

#echo $hc

#echo "-------------------------"

#echo "Hostname: "

#hostname

#echo "No. of Slots"

#echo $NSLOTS

 

echo "Wien2k Machine file TMPDIR/machines"

mf=`cat $TMPDIR/machines.wien2k-kpoint`

echo $mf

 

cp $TMPDIR/machines.wien2k-kpoint .machines

 

# RJ: command for kpoint parallel run

Run_lapw -cc 0.0001 -ec 0.0001 -in1ef -p 

 

 

The job is submitted by 

qsub -pe kpoint 6 kpoint.sh 

Where kpoint.sh is the job script file 

 

When I replace wih run_phonon, the job is submitted but suddenly
disappears!!!!!!

 

 

I checked the script files and noted the following 

 

Wien2k machine file TMPDIR/machines

1:ibnx79 1:ibnx79 1:ibnx79 1:ibnx79 1:ibnx79 1:ibnx79 1:ibnx79 granularity:1
extrafine:1 

Too many ('s.

 

 

Can any body tell me what is the issue here?

There are no issues with the script file as I have been using this for quite
some time 

 

Suddhasattwa 

 

 

 

 

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