[Wien] Fw: Re: problem in execution

[Pooja Rana]

Sir :

Yes Sir, the compilation was successful without any error.

I successfully run the userconfig_lapw.

The contains of the .bashrc are as follows :

# .bashrc

# User specific aliases and functions

# Source global definitions
 if [ -f /etc/bashrc ]; then
     . /etc/bashrc
  fi

export PATH=$PATH:/opt/intel/fc/10.1.018/bin  bash
export PATH=$PATH:/opt/intel/idb/10.1.018/bin  bash

export MANPATH=$MANPATH:/opt/intel/idb/10.1.018/man   bash
export MANPATH=$MANPATH:/opt/intel/fc/10.1.018/man   bash

export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/mkl/9.1.023/lib/32   bash
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/fc/10.1.018/lib   bash

export INCLUDE=$INCLUDE:/opt/intel/mkl/9.1.023/include   bash

export INTEL_LICENSE_FILE=$INTEL_LICENSE_FILE:/opt/intel/licenses   bash

export IFLPATH=$IFLPATH:/opt/intel/fc/10.1.018/lib   bash
export MKLPATH=$MKLPATH:/opt/intel/mkl/9.1.023/lib/32   bash
# added by WIEN2k: BEGIN
# --------------------------------------------------------
alias lsi="ls -aslp *.in*"
alias lso="ls -aslp *.ou*"
alias lsd="ls -aslp *.def"
alias lsc="ls -aslp *.cl*"
alias lss="ls -aslp *.sc*"
alias lse="ls -aslp *.error"
alias pslapw="ps -ef |grep "lapw""
alias cdw="cd /home/gga/data"
export OMP_NUM_THREADS=1
#export LD_LIBRARY_PATH=.....
export EDITOR="emacs"
export SCRATCH=./
export WIENROOT=/home/gga/wien2k
export W2WEB_CASE_BASEDIR=/home/gga/data
export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin
export PDFREADER=acroread
export PATH=$PATH:$WIENROOT:$STRUCTEDIT_PATH:.
export OCTAVE_EXEC_PATH=${PATH}::
export OCTAVE_PATH=${STRUCTEDIT_PATH}::

export PATH=$PATH:$WIENROOT:.
ulimit -s unlimited
alias octave="octave -p $OCTAVE_PATH"
# --------------------------------------------------------
# added by WIEN2k: END 

Many thanks Sir for your kind attention and quick reply.

I tried to recompile again but failed to remove the error.

Kindly help me by guiding.

Regards,



Pooja Rana 
Research Scholar 
Condensed Matter Theory Group 
School of Studies In Physics 
Jiwaji University, GWALIOR - 474011 (M.P.), INDIA

-

--- On Tue, 7/9/10, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote:


From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
Subject: Re: [Wien] problem in execution
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Date: Tuesday, 7 September, 2010, 8:30 PM


Was siteconfig_lapw successful and without errors ???

Did you use:   userconfig_lapw ???

What is in your .bashrc file ?
What says   echo $LD_LIBRARY_PATH ?

Am 07.09.2010 14:48, schrieb Pooja Rana:
> Respected Prof. Blaha,
>
> Sir, I am getting the following message when i am trying to run Wien2k .
>
> Commandline: *x nn *
> Program input is: *"2 "*
>
> /home/gga/new-wien/nn: error while loading shared libraries: libguide.so: cannot open shared object file: No such file or directory
> 0.000u 0.000s 0:00.00 0.0%    0+0k 0+0io 0pf+0w
> error: command   /home/gga/new-wien/nn nn.def   failed
>
> Further that during execution of the programme I also am unable to find the mixer file genereted during initialisation.
>
> Kindly help me by guiding so that I can
 run the programme successfully and complete my work.
>
> With kind regards and thanks,
>
>
> /Pooja Rana
> //Research Scholar
> Condensed Matter Theory Group
> School of Studies In Physics
> Jiwaji University, GWALIOR - 474011 (M.P.), INDIA/
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                   
    P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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