[Wien] Problem in run_phonon script

[Ghosh SUDDHASATTWA]

Dear Gerhard, 

Thanks very much. 

 

Happy New Year to you 

 

SG 

 

 

  _____  

From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Gerhard Fecher
Sent: Monday, January 03, 2011 1:13 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] Problem in run_phonon script

 

The error message is just wrong it is Too many \'s and not Too many ('s.
The problem is in the run_phonon  job file
for some reason the template creates \\ instead of \

replace:
foreach i ( \\
       1   \\
       2   \\
etc.

by:
foreach i ( \
       1   \
       2   \
etc




Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at
[wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Ghosh
SUDDHASATTWA [ssghosh at igcar.gov.in]
Gesendet: Montag, 3. Januar 2011 08:29
Bis: 'A Mailing list for WIEN2k users'
Betreff: [Wien] Problem in run_phonon script

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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