[Wien] Problem with Wien2k 17 installation

[lokanath patra]

Dear Fhokul,

Thanks for your reply.

This is the Wien2k part of the .bashrc file.

# added by WIEN2k: BEGIN
# --------------------------------------------------------
alias lsi="ls -aslp *.in*"
alias lso="ls -aslp *.output*"
alias lsd="ls -aslp *.def"
alias lsc="ls -aslp *.clm*"
alias lss="ls -aslp *.scf* */*.scf"
alias lse="ls -aslp *.error"
alias LS="ls -aslp | grep /"
alias pslapw="ps -ef |grep "lapw""
alias cdw="cd /usit/abel/u1/lokanath/WIEN2k"
export OMP_NUM_THREADS=1
#export LD_LIBRARY_PATH=.....
export EDITOR="vi"
export SCRATCH=./
export WIENROOT=/cluster/home/lokanath/lib/w217
export W2WEB_CASE_BASEDIR=/usit/abel/u1/lokanath/WIEN2k
export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin
export PDFREADER=acroread
export
PATH=$WIENROOT:$STRUCTEDIT_PATH:$WIENROOT/SRC_IRelast/script-elastic:$PATH:.
export OCTAVE_EXEC_PATH=${PATH}::
export OCTAVE_PATH=${STRUCTEDIT_PATH}::

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

After that I did source .bashrc

Still I am getting the old version in case.scf file.

Regards,
Lokanath


On Thu, Oct 12, 2017 at 5:14 PM, Md. Fhokrul Islam <fislam at hotmail.com>
wrote:

> Looks like you haven't changed $WIENROOT in your .bashrc (or whatever
> shell you are using).
>
> You need to change the $WIENROOT to the path of the new directory where
> you have installed
>
> Wien2k17.1.
>
>
>   $WIENROOT = /cluster/home/lokanath/lib/w217
>
>
> Fhokrul
>
>
>
> ------------------------------
> *From:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of
> lokanath patra <lokanath.patra007 at gmail.com>
> *Sent:* Thursday, October 12, 2017 7:27 AM
> *To:* A Mailing list for WIEN2k users
> *Subject:* [Wien] Problem with Wien2k 17 installation
>
> Dear all,
>
> I have installed Wien2k 17. To start with some test calculation, I
> performed spin polarized calculations with Ni. Everything running fine. But
> when I checked the case.scf file, it's still showing the old version like
> following.
>
> *:LABEL1: Calculations in /cluster/home/lokanath/WIEN2k/Ni*
> *:LABEL2: on login-0-1.local at Mon Oct  2 20:22:29 CEST 2017*
> *:LABEL3: using WIEN2k_14.2 (Release 15/10/2014) in
> /cluster/home/lokanath/lib/w215*
> *:LABEL4: using the command: runsp_lapw -so -ec 0.0001 -NI*
>
> I have installed Wien2k in /cluster/home/lokanath/lib/w217.
>
> What might be the error??
>
> Thank you and Regards,
> Lokanath
>
> --
> Lokanath Patra
> Ph.D Scholar
> Dept. of Physics
> School of Applied and Basic Sciences
> Central University of Tamil Nadu
> Thiruvarur
> Tamil Nadu - 610101
> Ph no - +91-8675834507
>
>
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-- 
Lokanath Patra
Ph.D Scholar
Dept. of Physics
School of Applied and Basic Sciences
Central University of Tamil Nadu
Thiruvarur
Tamil Nadu - 610101
Ph no - +91-8675834507
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